#DEFINITION	Reference Metabolome for Glycine max
#IDENTTFIER	RefMeta-Glycine max.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Glycine max
#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 Glycine max 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	1001.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06513	4.9
71.01275	1.6
71.04913	18.5
71.07288	4.9
72.08074	1.3
73.02822	2.5
74.25459	1.1
75.04392	2.5
79.05398	4.7
80.64034	1.0
81.06970	14.0
83.04903	7.5
83.08549	2.0
84.08082	1.4
85.02833	46.9
86.09627	45.3
87.04397	1.5
87.09962	5.4
91.03896	2.2
91.05420	6.1
92.93583	1.1
93.06969	14.0
95.01263	14.9
95.04895	1.3
95.08536	38.4
97.02815	2.5
97.10113	1.5
98.98403	4.7
99.00826	1.2
104.10681	6.1
105.06983	17.0
107.08550	24.3
109.10104	19.9
111.04395	4.6
111.08028	2.6
113.02318	1.4
119.08539	17.6
120.08080	1.7
121.10109	20.1
123.11668	9.3
124.99960	32.3
126.00309	2.2
126.44554	1.1
127.03900	1.4
129.05440	5.1
131.08569	5.1
133.10074	15.6
135.11664	13.1
137.13272	1.4
139.11131	1.6
141.01801	28.0
141.02815	1.8
142.84869	1.1
143.08499	2.0
145.04973	1.3
145.10104	11.4
147.06572	1.4
147.11690	12.0
149.13303	9.3
157.10008	1.9
159.02879	2.4
159.11647	10.9
161.13234	14.0
163.14827	6.6
171.11635	2.2
173.13239	10.6
175.14771	8.0
177.16393	5.5
184.07307	100.0
185.07678	15.8
186.07745	2.4
187.14835	6.0
189.16342	10.2
191.17923	2.6
199.14891	1.7
201.16377	13.1
203.17941	14.2
213.16338	2.6
215.17937	5.7
217.19550	7.6
219.17418	1.3
225.16246	1.2
227.17871	2.0
229.19630	2.6
241.19498	1.9
243.21001	7.2
255.20973	1.9
257.22644	5.1
266.14429	1.2
267.21011	1.9
269.22528	6.3
349.28433	1.4
365.31982	5.4
405.35123	19.2
423.36136	76.3
424.36292	4.7
425.24408	1.4
429.90552	1.2
441.37274	1.4
520.33881	8.8
521.34070	9.5
522.33795	2.5
581.38159	7.8
599.39392	8.4
779.18518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.6556
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06022	0.2
70.06482	0.3
71.07291	5.7
71.08562	0.3
78.14775	0.3
79.05412	0.4
81.06969	1.6
83.08527	1.4
86.09627	54.6
87.09961	0.4
93.06951	0.5
95.08540	2.1
97.10110	0.4
98.98380	3.2
104.10680	83.5
105.11017	1.0
107.08547	0.4
109.10092	0.5
121.10084	0.4
124.99963	32.2
143.01039	1.0
148.86128	0.3
155.64832	0.3
161.03104	0.3
163.01524	0.6
177.57385	0.3
184.07304	100.0
185.07600	1.1
224.89958	0.3
258.10941	0.5
316.10999	0.3
339.29092	2.0
351.99274	0.3
504.34317	6.8
522.35461	69.2
523.35730	4.3
545.18304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06492	1.9
71.04908	5.5
75.79716	0.3
77.03842	0.3
79.04954	0.5
79.05401	8.6
81.03336	0.5
81.06952	1.9
81.43725	0.3
83.04879	2.1
84.04401	0.6
85.02348	0.5
85.02827	10.9
85.06464	47.3
86.06799	0.4
89.03825	0.5
91.05402	24.3
93.06440	0.5
93.06973	8.4
95.04884	3.1
95.08475	0.4
97.02814	2.7
97.06448	1.8
99.04367	0.7
99.08002	2.4
102.05496	0.3
103.05391	0.5
105.03360	0.4
105.06971	10.1
107.04894	4.9
107.08541	11.8
109.02831	0.6
109.06472	2.3
109.10119	0.4
110.07077	0.4
111.04388	6.6
113.05930	0.4
117.06973	2.8
119.04893	33.1
119.08532	11.3
120.05179	0.6
121.06459	7.0
121.10093	11.4
123.04428	0.7
123.07998	1.3
125.05939	4.1
127.03876	1.6
129.06944	2.8
130.07687	0.4
131.08531	38.8
132.02028	1.2
132.08839	0.4
133.02840	0.4
133.10092	0.5
135.04353	1.3
135.08012	0.8
135.11659	3.6
137.05968	1.2
137.09599	3.7
139.07498	1.4
141.05415	0.5
143.07005	0.6
145.02814	1.4
145.06491	0.6
145.10094	15.7
146.10480	0.5
147.04385	30.3
147.07994	3.2
147.11650	3.6
148.04710	0.5
149.02338	1.4
149.05940	2.0
149.09593	39.8
150.09961	0.6
150.78204	0.3
153.05408	2.1
155.06964	1.3
155.08546	0.6
157.03941	3.2
161.09555	0.4
163.07480	1.3
163.11145	14.8
163.60138	0.3
164.04636	0.6
164.11514	0.3
165.09093	7.0
165.12700	1.1
167.06975	1.8
167.10635	19.6
171.06508	1.4
173.09613	4.1
175.03867	47.5
176.04272	1.4
179.06992	2.5
179.10600	0.6
181.04906	12.6
191.10629	38.1
191.14262	1.3
192.04057	0.4
192.11031	1.3
197.11693	1.4
207.06494	66.5
208.06810	1.7
209.11687	41.4
210.12012	1.4
227.12737	100.0
228.13060	2.7
255.06647	0.4
286.48749	0.3
363.05588	0.3
367.10367	0.4
373.07605	0.4
386.76035	0.3
406.20596	1.5
544.15009	0.3
548.93561	0.3
579.12817	0.5
620.54468	0.3
879.42706	0.4
890.06451	0.4
968.35095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06513	2.1
71.04919	4.0
74.11707	0.3
77.03841	0.7
79.05415	7.8
79.42199	0.3
81.03307	0.3
81.06982	1.8
83.04902	1.3
84.04433	0.7
84.08071	0.5
85.02833	0.7
86.09639	0.4
89.03848	0.7
91.05411	31.3
92.05755	0.6
93.06974	8.6
95.04359	0.3
95.04897	2.6
97.06467	1.7
101.12914	0.3
103.05392	1.5
104.34815	0.3
105.06979	8.6
107.04917	3.9
107.08544	15.1
108.02070	0.3
108.05721	0.3
109.06439	0.5
110.07119	1.3
111.04334	0.3
111.08099	0.4
115.05386	0.3
116.06187	0.5
116.27531	0.3
116.59625	0.3
117.03358	0.4
117.06966	1.9
119.04905	40.9
119.08539	2.1
120.05248	0.6
121.06466	12.7
121.10094	9.2
123.08049	0.4
125.05947	2.0
125.09551	0.3
127.87790	0.3
129.03337	0.4
129.06989	1.2
129.10202	0.6
130.07773	0.4
131.04893	0.7
131.08537	62.5
132.02055	1.6
132.08905	1.7
135.04393	1.3
135.08023	1.2
135.11658	1.6
136.05174	0.5
136.07568	0.4
137.05956	0.5
139.07538	1.3
141.05444	1.2
145.02814	0.7
145.10110	16.8
147.04396	39.1
147.08028	1.4
147.11705	0.7
148.04723	0.6
149.02338	1.3
149.05988	1.6
149.09605	30.5
150.09891	0.3
151.07562	0.6
153.01802	0.5
153.05453	3.7
157.03938	3.8
163.11157	10.3
164.04695	1.2
165.09067	1.7
167.06999	1.6
167.10646	1.3
172.03905	1.3
173.09592	1.8
175.03877	61.1
175.69910	0.3
176.04208	2.2
177.05457	1.1
179.07005	4.2
181.04941	6.6
191.10638	20.2
192.04207	0.3
192.10953	0.4
202.06128	0.3
204.06514	1.2
205.06894	0.5
207.06509	89.6
208.06812	2.9
209.11702	100.0
210.12041	2.7
255.06506	0.5
273.07547	1.5
283.08459	0.6
293.33722	0.3
438.15521	0.3
616.81311	0.4
699.55682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02857	2.9
70.06505	49.7
71.01241	13.7
71.04907	2.3
71.06794	2.3
72.08073	21.1
73.02821	2.0
73.05186	1.7
74.05968	1.9
75.04381	2.6
79.05389	11.5
81.03338	30.4
81.06973	28.7
83.06013	2.8
83.08533	4.3
84.04410	12.0
84.08060	30.2
85.02821	44.3
86.09616	31.0
87.00744	15.1
87.05504	2.7
88.03870	1.9
91.05401	15.0
92.10815	2.3
93.06959	32.4
95.01238	11.8
95.04884	3.0
95.08526	65.2
97.02818	24.1
97.10076	1.9
99.04373	7.8
101.02307	35.0
102.05473	2.1
103.05403	3.9
105.01785	4.5
105.06973	28.8
107.08530	42.7
109.02816	10.9
109.10101	44.3
109.72626	2.0
110.07100	11.1
111.08029	3.5
111.11652	2.4
113.02293	2.5
119.08518	37.5
120.08043	25.3
121.08414	1.6
121.10086	33.5
123.11664	19.4
127.03878	82.5
129.10190	18.5
131.08484	10.4
133.10094	31.4
135.11649	24.4
136.07530	4.0
137.13197	4.3
141.01767	23.9
143.08571	2.5
145.04930	37.1
145.10062	22.9
147.11653	26.8
149.13223	21.8
155.11751	2.4
157.09947	2.2
157.78462	1.9
159.02826	3.2
159.11670	27.3
161.13229	26.3
163.14775	9.5
171.11592	7.4
173.13225	15.0
175.14761	20.2
177.16335	16.3
179.18018	2.3
184.07356	3.0
184.10913	1.9
185.13174	3.3
187.14729	14.9
189.16348	13.3
191.17882	6.9
199.07101	2.9
199.14798	4.3
201.16357	25.0
203.17871	20.7
205.15739	4.2
213.16391	2.2
215.17908	10.3
217.19495	16.1
227.17986	6.7
229.19452	8.9
231.04919	26.5
241.19388	4.0
243.21011	3.0
249.06004	3.8
255.21010	9.7
257.22537	3.5
267.21011	2.4
269.22510	3.8
276.51135	2.2
365.31958	3.3
405.35065	23.5
423.36118	100.0
424.36456	3.4
441.37076	3.5
476.20679	1.8
575.19971	2.1
581.38214	9.4
599.38788	9.5
679.64368	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	1009.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06504	12.1
71.01271	24.1
71.04915	4.4
72.07721	0.5
72.08061	5.6
72.08392	0.5
73.02827	5.4
75.04411	4.6
79.05394	11.2
81.03338	29.7
81.06972	31.5
83.04909	0.8
83.08537	7.0
84.04421	2.7
84.08068	9.8
84.95963	0.6
85.02827	54.9
85.06448	0.7
86.09620	6.2
87.00749	19.3
88.03931	0.8
91.03871	3.0
91.05392	13.9
91.16773	0.6
93.06972	27.5
94.55497	0.5
95.01250	11.2
95.04871	3.2
95.08531	69.0
97.02823	25.7
97.06464	1.0
97.10125	5.3
99.00725	0.8
99.04385	8.4
101.02315	38.2
102.05505	0.7
103.03860	0.8
105.01817	9.3
105.06975	30.2
107.08537	46.0
109.02836	17.3
109.06457	1.3
109.10103	43.1
110.07085	2.2
111.08040	7.9
111.11652	2.9
113.02295	2.3
115.03845	0.8
116.98531	1.2
117.01805	3.4
117.06970	3.6
119.08539	41.7
120.08052	6.1
121.10100	36.7
123.00712	0.8
123.11664	16.7
127.03877	83.0
129.06987	0.6
129.10181	4.8
131.03419	1.0
131.08536	9.4
131.33119	0.6
133.10095	35.7
134.99634	1.0
135.11661	22.3
136.07544	2.5
137.13242	4.8
139.11139	1.2
141.01805	19.4
143.08517	5.7
144.09283	2.4
145.04938	40.2
145.10097	19.4
146.10753	0.6
146.99626	1.0
147.10486	1.0
147.11659	28.9
149.13243	19.0
151.14809	0.9
155.08336	0.8
156.09270	0.6
156.20375	0.6
157.10101	6.0
158.10884	2.3
159.02853	16.7
159.11656	24.3
161.01169	0.8
161.13222	25.4
162.99104	0.9
163.14789	13.2
169.10130	0.8
170.99641	1.0
171.11662	6.4
173.13217	14.6
175.14792	18.2
177.16350	16.4
179.17993	1.1
183.11617	0.9
184.07324	0.9
185.13202	4.7
187.14761	13.7
189.00670	0.7
189.16347	17.6
191.17888	7.0
193.15820	2.4
197.13190	2.3
199.14754	6.8
201.16348	24.7
203.14188	0.6
203.17940	21.2
205.15866	5.6
205.19495	4.9
207.17427	2.9
211.14844	2.3
213.03914	3.2
213.16379	4.9
215.17885	10.5
217.15889	3.6
217.19473	18.5
219.01770	0.8
219.17506	4.0
219.20900	0.9
225.16373	0.8
227.17928	8.3
228.18581	0.7
229.19489	10.3
231.04953	26.5
231.17435	1.1
231.21066	3.4
233.19038	0.9
237.02721	0.7
239.17650	0.7
241.19437	5.0
243.21072	5.6
245.18958	2.6
245.22717	0.8
249.06015	11.3
253.19514	1.3
255.20920	6.3
257.22623	5.1
259.20496	2.2
267.20901	1.3
269.22562	6.3
271.24075	3.4
279.03885	1.3
281.22668	0.9
283.24136	3.2
285.22324	0.7
295.23978	2.5
297.25635	2.4
309.25629	1.1
311.27121	0.6
365.31995	7.1
371.06015	0.7
389.07120	2.5
393.35065	1.1
395.36789	0.7
405.29871	1.0
405.35056	20.2
406.35217	1.0
407.08368	0.9
423.36130	100.0
424.36258	4.9
441.37213	8.0
547.53455	0.6
567.40088	1.1
581.38361	7.0
599.39014	3.9
660.09784	0.9
964.45319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06502	0.1
81.03319	0.0
84.04404	0.0
84.08054	0.0
85.02828	0.1
89.03822	0.2
91.05396	1.0
91.05936	0.0
95.01275	0.0
95.04881	0.0
97.02770	0.0
98.34637	0.0
103.05342	0.0
105.03303	0.0
105.53751	0.0
107.04865	0.1
109.02836	0.0
110.07113	0.0
111.00758	0.2
111.28315	0.0
115.05407	0.1
116.06241	0.0
117.03314	0.3
117.06953	0.1
119.04887	0.6
121.02788	0.2
123.04377	0.0
127.03864	0.1
128.06206	0.0
129.10190	0.0
131.04904	0.2
131.08485	0.1
133.02815	0.1
133.06433	0.1
134.03552	0.0
135.04381	0.1
137.01344	0.0
137.02339	0.1
141.06966	0.3
145.02817	2.1
145.06479	0.2
146.03162	0.0
147.04381	0.2
147.08031	0.1
149.02310	2.1
149.05951	0.2
150.02832	0.0
151.03850	0.2
153.01794	5.4
154.02151	0.1
155.04886	0.0
157.06471	0.1
159.04373	0.8
159.05602	0.0
159.08018	0.1
165.01772	0.5
167.03441	0.0
169.06427	0.7
171.02887	0.0
173.05960	0.2
175.07492	0.1
177.05424	1.1
181.06404	0.0
183.02829	0.1
183.04314	0.1
185.05975	0.1
187.03885	0.2
187.07486	0.4
197.05914	0.9
197.07719	0.0
200.04684	0.1
201.05435	0.1
203.06915	0.0
205.04903	0.0
213.05434	0.1
215.06985	5.6
216.07480	0.2
219.01326	0.0
219.06447	0.1
225.05354	0.4
226.06184	0.0
227.06915	0.1
229.04921	0.1
230.35246	0.0
242.05603	0.0
243.06458	4.1
244.06798	0.2
247.06108	0.0
253.04875	1.7
254.05504	0.1
255.06342	0.0
271.05936	100.0
272.06253	3.8
285.07263	0.1
358.54620	0.0
433.11188	4.2
434.11551	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	1011.517
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06514	100.0
71.01268	5.7
71.04915	18.3
71.06855	1.6
72.08073	33.2
73.02834	6.2
74.06017	5.2
75.04417	1.8
79.05413	3.6
81.06982	14.9
81.59579	1.3
83.04924	11.7
83.06021	6.0
83.08527	2.7
84.04421	14.8
84.08077	54.0
85.02830	43.5
85.08407	2.5
86.09634	32.5
87.05508	2.3
87.09934	1.5
88.03926	2.5
91.05409	14.6
93.04449	2.9
93.06979	21.2
95.01253	14.7
95.04897	3.6
95.08536	39.4
97.02822	12.0
98.05952	1.7
99.04353	2.0
102.05475	6.0
103.03866	1.9
103.05417	3.1
105.06963	18.9
107.08543	29.4
109.02816	1.7
109.06489	1.5
109.10112	33.3
110.07118	26.9
111.04409	8.4
111.08042	2.5
111.11720	1.7
112.08683	1.9
115.03901	7.0
115.08645	2.8
119.04919	2.9
119.08538	26.2
120.08070	56.3
121.10110	21.6
123.11657	13.8
127.05035	1.7
127.08584	1.6
129.05447	5.4
129.10225	30.4
131.08504	6.3
133.10106	24.9
135.11670	17.7
136.07608	15.7
136.08495	2.0
139.11177	2.5
141.01822	25.6
141.10225	3.3
143.08516	1.8
143.11830	1.8
145.10155	10.7
147.11694	13.9
149.13234	15.1
155.11803	2.0
157.10011	2.4
159.11636	13.6
159.14981	1.4
160.12363	1.8
161.13225	14.0
163.14780	9.0
169.09929	2.0
171.11592	3.6
173.13261	11.7
175.14790	10.7
177.16344	8.6
181.10921	1.6
184.07425	2.5
185.09221	2.9
185.13139	1.9
187.14705	6.5
189.16295	12.7
191.17989	2.3
193.15816	1.8
197.12917	1.8
199.14772	2.1
201.16393	10.5
203.17984	12.2
205.15851	2.4
205.19409	2.6
207.17567	2.3
213.16333	2.9
215.17937	7.7
217.19475	10.9
219.17604	1.9
223.77603	1.5
225.07542	1.6
227.17940	6.2
229.19482	9.9
233.18961	1.5
243.13222	1.6
243.21039	2.5
245.18842	2.1
253.19469	2.1
255.21008	3.5
257.22568	2.8
277.67487	1.7
279.10898	1.7
281.26862	1.7
283.24228	1.9
322.23074	1.4
365.32196	3.1
405.35086	14.1
423.36179	66.6
424.36249	2.3
429.75357	1.5
438.04593	1.7
441.37338	3.5
521.35852	2.8
539.36786	1.9
581.37958	9.0
638.72668	1.7
652.54663	1.6
670.44647	1.8
796.97589	1.6
1004.17487	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	1013.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06509	100.0
71.01240	7.9
71.04907	24.6
71.06828	4.1
72.08081	25.0
73.02818	3.3
75.04389	2.1
79.05397	10.5
81.06975	23.9
83.04895	9.9
83.05996	3.1
83.08515	7.3
84.04436	16.0
84.08066	62.4
85.02826	56.7
85.08379	3.1
86.09636	35.4
87.05517	3.3
88.03930	4.4
89.02293	3.5
91.03876	2.7
91.05411	15.7
93.06968	29.1
95.01250	16.6
95.01785	1.9
95.04931	3.1
95.08535	50.9
97.02829	13.4
98.05947	2.2
102.05444	6.9
103.05374	4.4
105.06989	24.6
105.07616	3.3
107.08539	33.3
109.10108	38.2
109.10796	3.6
110.07121	25.3
111.04404	4.8
111.08018	3.7
115.08634	3.3
119.04877	2.4
119.08533	39.1
120.08051	55.5
121.08419	1.7
121.10099	32.2
123.11639	10.1
127.03896	3.4
127.08629	1.9
129.05428	11.0
129.10184	37.8
131.08499	4.6
133.10115	32.0
135.11659	20.5
136.07564	19.1
137.13225	2.0
141.01785	31.3
141.06622	2.0
141.10196	3.9
144.27795	1.9
145.10107	18.1
147.06525	2.0
147.11682	24.1
149.13228	13.0
157.10031	7.8
159.02864	2.7
159.11662	19.1
161.13216	17.2
163.05940	3.0
163.14699	8.6
169.09740	2.9
171.11533	7.9
173.13184	14.0
175.14775	12.5
177.16335	9.6
185.13194	2.6
187.14749	9.6
189.16447	14.3
189.17891	2.0
191.17880	8.3
197.13034	2.4
199.14789	4.7
201.16393	13.6
203.17873	16.4
205.19499	2.7
213.08723	2.8
213.16269	4.3
215.17863	9.6
217.19514	11.5
227.17819	3.5
229.19431	10.1
230.07744	2.2
241.19482	3.1
269.22580	4.7
297.25919	2.3
365.31915	2.9
396.26416	2.0
405.35190	20.4
423.36182	89.0
424.35986	2.7
441.36920	2.6
493.36423	9.4
494.16492	2.2
511.37970	2.8
581.37799	9.4
754.43805	2.5
770.50708	2.4
803.20343	2.4
979.49756	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	1013.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06139	1.3
70.06509	30.9
71.01270	15.1
71.04908	44.8
71.06820	0.8
72.08080	7.6
73.02497	0.6
73.02834	7.2
75.04388	4.5
79.05403	11.9
81.03345	1.2
81.06978	39.2
83.04900	14.3
83.06017	1.3
83.08521	6.2
84.04418	4.5
84.08069	8.6
85.02827	91.4
85.06470	0.7
86.09638	8.5
89.02312	16.9
91.03879	5.0
91.05409	13.1
93.04444	0.9
93.06974	31.2
95.01253	25.5
95.04893	4.8
95.06088	0.7
95.08533	75.9
96.08871	1.2
97.02821	11.3
97.10104	3.5
98.05953	0.8
99.00748	2.5
99.04400	1.2
101.02310	1.5
101.05968	0.8
101.07028	0.9
102.05524	0.7
103.03896	2.6
103.05405	3.0
104.45977	0.7
105.06973	35.5
107.04837	0.9
107.08539	49.7
109.02820	3.1
109.06468	3.9
109.10106	58.7
110.07100	8.1
111.04388	10.4
111.08040	7.9
111.11658	0.7
113.02301	4.0
115.03847	0.9
115.08663	0.7
117.06963	3.6
119.08533	41.9
120.08053	16.5
120.08819	1.0
121.10098	39.7
123.00706	1.4
123.11654	20.4
127.03870	5.0
129.05434	13.0
129.06935	1.1
129.10193	4.2
131.03351	1.3
131.08540	9.4
133.10097	45.1
135.11658	27.1
136.07535	1.5
137.13226	3.8
139.03856	0.7
139.11197	1.5
141.01807	48.7
143.08539	4.3
145.04939	3.7
145.10101	19.7
147.06468	5.4
147.11670	31.4
148.12041	0.9
149.09586	0.6
149.13242	24.3
149.14384	1.1
150.13498	0.7
151.14749	0.9
157.10143	6.0
159.02856	6.4
159.11662	27.5
161.13222	26.4
163.05957	5.4
163.14784	12.4
165.12697	0.8
169.10020	0.7
171.11674	6.9
173.13220	17.9
174.13759	1.1
175.14787	20.5
177.16324	15.0
179.17886	1.3
183.11641	1.2
185.13214	5.0
186.14066	0.8
187.14763	14.0
188.15514	0.7
189.16356	18.7
191.17891	7.0
193.15932	1.5
195.17390	1.2
197.13181	1.2
199.14821	5.6
201.16345	19.4
203.17928	27.5
204.18298	1.1
205.15848	3.8
205.19464	4.7
207.17345	7.1
211.14729	0.9
213.16339	7.1
215.17918	13.8
216.18387	0.8
217.15880	2.9
217.19466	15.8
219.17416	4.9
225.16280	1.2
227.17946	8.2
229.19446	18.3
231.21054	1.3
233.18877	1.0
239.17923	1.1
241.19466	4.0
243.21059	6.4
245.18938	1.0
253.19478	1.4
255.08403	0.8
255.20963	5.8
257.22632	6.2
259.20517	0.7
260.41672	0.7
267.20966	2.7
269.22592	6.3
271.20847	0.8
271.24048	1.1
281.22495	1.1
283.24179	3.5
285.25568	0.8
287.07507	0.9
295.24176	1.4
297.25684	3.9
305.08600	3.4
309.11789	0.9
309.25809	0.8
311.27054	1.2
317.21063	4.9
323.27292	0.9
345.24338	0.7
365.31851	6.8
405.35046	22.9
423.36121	100.0
424.36279	6.1
441.36993	2.5
481.36713	7.8
493.36703	15.3
511.37643	13.2
581.38269	13.0
599.39252	3.9
669.39655	1.2
680.50427	0.7
898.11615	0.7
1001.93323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06509	100.0
71.01240	7.9
71.04907	24.6
71.06828	4.1
72.08081	25.0
73.02818	3.3
75.04389	2.1
79.05397	10.5
81.06975	23.9
83.04895	9.9
83.05996	3.1
83.08515	7.3
84.04436	16.0
84.08066	62.4
85.02826	56.7
85.08379	3.1
86.09636	35.4
87.05517	3.3
88.03930	4.4
89.02293	3.5
91.03876	2.7
91.05411	15.7
93.06968	29.1
95.01250	16.6
95.01785	1.9
95.04931	3.1
95.08535	50.9
97.02829	13.4
98.05947	2.2
102.05444	6.9
103.05374	4.4
105.06989	24.6
105.07616	3.3
107.08539	33.3
109.10108	38.2
109.10796	3.6
110.07121	25.3
111.04404	4.8
111.08018	3.7
115.08634	3.3
119.04877	2.4
119.08533	39.1
120.08051	55.5
121.08419	1.7
121.10099	32.2
123.11639	10.1
127.03896	3.4
127.08629	1.9
129.05428	11.0
129.10184	37.8
131.08499	4.6
133.10115	32.0
135.11659	20.5
136.07564	19.1
137.13225	2.0
141.01785	31.3
141.06622	2.0
141.10196	3.9
144.27795	1.9
145.10107	18.1
147.06525	2.0
147.11682	24.1
149.13228	13.0
157.10031	7.8
159.02864	2.7
159.11662	19.1
161.13216	17.2
163.05940	3.0
163.14699	8.6
169.09740	2.9
171.11533	7.9
173.13184	14.0
175.14775	12.5
177.16335	9.6
185.13194	2.6
187.14749	9.6
189.16447	14.3
189.17891	2.0
191.17880	8.3
197.13034	2.4
199.14789	4.7
201.16393	13.6
203.17873	16.4
205.19499	2.7
213.08723	2.8
213.16269	4.3
215.17863	9.6
217.19514	11.5
227.17819	3.5
229.19431	10.1
230.07744	2.2
241.19482	3.1
269.22580	4.7
297.25919	2.3
365.31915	2.9
396.26416	2.0
405.35190	20.4
423.36182	89.0
424.35986	2.7
441.36920	2.6
493.36423	9.4
494.16492	2.2
511.37970	2.8
581.37799	9.4
754.43805	2.5
770.50708	2.4
803.20343	2.4
979.49756	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	1014.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96815	0.1
71.04884	0.3
73.02842	0.4
81.03349	2.1
84.04411	0.3
84.08073	0.3
85.02348	0.3
85.02834	5.5
85.03339	0.2
86.09702	0.2
97.02827	4.0
98.67666	0.2
99.04395	3.6
103.03883	5.3
109.02826	3.1
115.08657	0.2
124.82909	0.2
126.11907	0.2
127.03883	100.0
128.04205	1.4
129.10197	0.2
145.04938	3.0
152.33620	0.2
163.05960	1.2
187.05994	0.7
201.00720	0.2
238.95200	0.2
271.08051	1.0
289.09161	0.4
307.10239	0.3
327.18689	0.2
433.13364	22.2
434.13660	0.9
565.17322	0.4
671.33795	0.2
694.16211	0.2
748.35236	0.3
845.54016	0.2
912.04034	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	1015.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04915	6.9
71.06864	3.1
72.08066	45.3
73.02818	14.5
74.05997	5.1
79.05406	17.6
81.06980	47.6
83.04881	3.0
83.06008	7.0
84.04414	24.5
84.08067	95.4
85.02828	77.7
86.05943	3.1
86.09628	56.6
87.05515	11.7
87.09957	4.4
88.03910	5.1
91.03860	19.2
91.05412	30.6
93.04440	3.2
93.06979	34.3
95.01254	32.1
95.04882	3.4
95.08542	72.0
96.08071	3.9
97.02819	31.7
97.06461	3.4
98.05960	3.8
98.09661	3.8
101.07085	4.9
102.05471	3.2
103.05394	14.8
105.06986	43.4
107.08539	56.4
109.06446	4.1
109.10101	45.0
110.07110	38.1
111.08038	13.8
113.02323	4.2
114.05467	3.6
115.08643	3.6
119.04881	4.5
119.08536	57.3
119.32008	3.5
120.08062	87.6
121.06409	4.6
121.08407	5.0
121.10107	48.6
123.08002	6.4
123.11676	16.0
127.03882	19.7
127.04964	2.9
129.10197	39.1
131.08546	14.9
133.10100	53.6
135.11650	28.2
136.07571	29.9
137.13187	3.3
139.04965	3.5
141.01819	56.5
143.08521	11.5
143.11804	5.0
145.04941	16.9
145.10121	39.5
147.11679	36.1
149.13248	33.2
155.08353	4.5
157.10071	19.0
159.02859	5.0
159.11649	45.7
161.13242	25.2
163.05974	6.1
163.14804	18.1
165.65195	3.8
169.09929	5.6
170.10875	3.0
171.11588	14.5
172.12085	3.0
173.09241	3.9
173.13231	25.1
175.14758	22.3
177.16328	20.7
183.07687	3.5
183.11617	5.6
184.07339	5.3
185.09117	4.7
185.13164	15.3
187.14684	23.7
189.16336	26.9
191.17899	4.1
197.13075	7.0
199.14725	13.6
201.16287	23.2
203.17976	14.2
205.19592	3.6
207.17529	4.1
209.13033	2.8
213.16316	6.2
214.60672	2.9
215.17896	7.3
217.15872	6.1
221.12866	3.2
227.17854	4.2
231.17412	5.6
233.19154	3.5
243.17378	4.0
257.18564	3.0
271.20547	3.5
353.28214	16.6
363.26682	3.3
379.29892	3.6
405.35016	5.1
407.33026	5.3
409.50897	3.2
419.33044	12.5
420.33694	3.1
423.36102	24.5
424.59485	3.0
437.34103	31.9
467.34866	25.3
479.35117	38.6
497.29544	5.5
497.36172	100.0
498.36160	3.8
515.37036	16.7
655.37897	3.4
1004.38947	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	1015.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01278	3.6
71.04911	19.9
71.06846	0.5
72.08073	5.9
73.02831	8.5
74.05995	0.6
75.04389	2.5
77.03837	0.3
79.05414	6.2
81.03324	1.3
81.06978	20.7
83.01276	0.3
83.04433	0.5
83.04904	11.0
83.06026	1.1
83.08538	4.8
84.04440	2.5
84.08068	4.9
85.02831	45.8
86.09636	6.7
87.04391	1.3
87.05488	0.4
89.02296	0.5
91.05407	8.0
93.04432	0.4
93.06976	18.7
95.00663	0.6
95.01262	14.6
95.04911	3.3
95.06046	0.5
95.08537	50.2
96.08881	0.6
97.02826	11.4
97.06461	0.6
97.10102	3.9
98.05991	0.3
99.00762	1.7
99.04372	1.6
99.08002	0.3
100.56771	0.3
101.02335	1.3
101.05962	0.4
102.05476	0.7
103.03890	2.7
103.05414	2.5
105.06979	21.7
107.04900	0.4
107.08543	32.5
109.02848	0.5
109.06456	1.2
109.10111	34.1
110.07119	4.9
111.04394	8.0
111.07423	0.4
111.08041	4.9
111.11663	1.5
112.08671	0.4
113.02312	2.6
113.05940	0.5
115.03879	5.8
115.05324	0.3
115.08663	0.6
117.06950	1.9
119.04877	0.4
119.08540	25.6
120.08067	12.4
120.08915	0.6
121.02816	0.3
121.06403	0.3
121.10102	25.6
122.10416	0.3
123.00748	0.6
123.04322	0.3
123.08021	0.5
123.11662	12.8
125.02263	0.3
125.09608	0.5
126.05505	0.4
127.03903	2.1
129.05455	7.9
129.06976	0.6
129.10193	1.7
131.03397	1.5
131.08549	8.0
133.04932	1.8
133.10101	23.2
135.11662	19.2
136.07564	1.4
137.02374	0.3
137.13248	4.3
139.03883	1.9
139.08601	0.4
139.11171	1.8
141.01808	29.9
141.10316	0.4
142.02167	0.3
143.03439	0.3
143.08546	3.1
143.11737	0.6
144.09319	0.6
145.10107	12.8
147.06523	2.8
147.11674	20.1
149.13248	11.9
151.11179	0.6
151.14803	0.5
153.05402	0.4
153.12721	0.4
155.11884	0.5
156.09254	0.4
157.04974	1.0
157.10120	3.9
158.10909	0.6
159.02852	4.6
159.07712	0.3
159.11676	14.9
160.12434	0.4
161.13232	19.3
162.13547	0.6
163.11189	0.5
163.14793	10.5
165.05336	0.4
165.07643	0.4
165.12708	1.6
165.16374	0.4
169.04832	0.4
169.10107	0.6
171.06454	0.5
171.11665	5.0
172.12428	0.6
173.13229	13.1
174.13925	0.3
175.14798	13.5
176.15204	0.4
177.03934	0.7
177.12671	0.4
177.16356	13.4
178.48007	0.3
179.17924	1.8
183.11600	1.5
183.15028	0.5
184.12500	0.5
185.13226	4.5
186.13879	0.4
187.14801	11.3
189.16347	13.2
190.16875	0.4
191.14366	1.0
191.17906	6.2
193.15926	1.4
197.13248	1.9
199.14780	4.8
201.16360	17.4
203.17938	18.9
204.18234	0.3
205.15874	3.8
205.17673	0.4
205.19518	3.4
207.17473	2.8
209.13194	0.4
211.14757	1.4
213.07602	0.3
213.16411	4.7
215.17915	9.3
216.18295	0.3
217.07030	0.6
217.16154	2.2
217.19487	11.1
219.17383	3.1
219.21007	0.6
221.19073	0.5
225.07646	2.3
225.16324	1.6
227.17937	6.9
229.19484	9.3
231.17468	1.2
231.21028	2.2
233.19011	1.9
235.11612	0.3
239.18021	1.2
241.19437	4.2
242.19922	0.4
243.08571	1.4
243.21021	8.5
245.19051	1.8
245.22617	0.5
253.19504	1.8
255.21019	7.3
256.21548	0.5
257.22626	5.4
259.20581	1.2
259.24289	0.5
261.09720	0.4
261.22018	1.0
267.20987	2.0
269.22617	7.3
271.20572	0.5
271.24200	2.1
273.06018	0.5
279.10590	2.4
281.22589	1.1
283.24210	2.9
285.22107	0.4
285.25598	0.5
287.07745	0.5
295.24310	2.1
297.25760	1.6
305.08694	2.0
309.08316	0.4
309.25882	0.5
311.27203	1.0
313.25107	1.0
323.09454	0.3
323.26929	0.3
333.24609	0.3
363.30664	1.1
365.31970	6.8
395.36978	0.4
403.33560	0.4
405.35110	22.3
406.35205	1.9
407.36469	0.5
421.34647	2.6
423.36157	100.0
424.36438	6.8
441.37259	3.2
442.37564	0.4
493.36765	1.1
511.37720	5.4
533.39764	0.6
569.41748	0.6
581.38275	13.4
582.38208	1.1
599.39313	10.3
600.39819	0.6
669.40131	0.4
867.86554	0.3
931.10956	0.4
1008.45361	0.4
1008.94482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01267	2.6
71.04911	50.4
71.06837	0.7
72.08083	4.8
73.02516	0.5
73.02834	7.0
74.05988	2.7
75.04402	6.8
77.03805	0.8
79.05412	12.4
81.03320	3.3
81.06976	42.1
83.04430	1.1
83.04903	20.1
83.06021	1.2
83.08529	7.0
84.04421	13.5
84.08067	37.8
85.02828	100.0
85.06443	1.0
85.08392	1.4
86.03178	0.7
86.09628	15.3
87.04414	0.8
87.05563	1.0
88.03941	1.2
91.03896	7.1
91.05406	16.5
92.10266	1.8
92.35584	0.6
93.06973	38.7
95.01253	21.6
95.04893	8.0
95.08531	75.1
97.02821	13.1
97.06454	6.1
97.10090	3.5
98.05955	0.8
99.00770	1.0
99.04378	2.7
99.08027	2.4
101.02304	0.6
101.05920	0.8
101.07063	3.7
102.05457	3.4
103.03876	2.7
103.05387	1.0
105.06978	46.8
107.08540	57.8
108.08854	0.8
109.02862	5.0
109.06475	8.4
109.10108	45.9
110.07104	9.0
110.09619	0.8
111.04395	10.9
111.07358	0.9
111.08040	16.3
111.09148	0.8
112.07577	0.8
112.08573	0.6
113.02304	4.8
115.03864	0.8
116.06265	0.7
117.06940	5.6
118.07797	0.8
119.04866	1.2
119.08534	69.9
120.08068	5.6
121.06392	4.5
121.10098	48.0
123.08006	8.7
123.11654	13.2
125.09568	3.1
126.05463	0.9
127.03885	7.3
127.04752	0.8
128.06134	0.7
129.05438	14.1
129.06935	3.5
129.10204	23.1
130.07765	0.9
130.10555	0.9
131.03323	0.9
131.08539	20.0
131.53087	0.6
133.04929	0.6
133.10095	71.6
135.08031	6.5
135.11664	34.4
136.07536	3.9
137.09581	4.3
137.13235	3.4
139.11165	2.8
141.01799	47.8
141.06963	0.8
141.10187	1.3
142.07770	3.2
143.08540	10.2
143.11789	1.1
144.09297	3.4
145.04958	5.7
145.10101	47.6
146.10567	1.0
147.06505	8.8
147.08038	1.5
147.11671	41.1
149.09671	4.4
149.12039	1.3
149.13234	36.6
150.13622	1.1
151.11143	3.6
153.12656	0.8
155.08447	3.7
156.09270	2.3
157.10097	20.7
158.10884	3.0
159.02838	5.4
159.07861	1.3
159.11662	54.9
160.12231	0.9
161.09566	4.1
161.13228	33.6
163.06026	6.1
163.11154	4.0
163.14777	8.2
165.12753	0.8
167.08333	1.3
169.10109	7.1
170.10782	1.5
171.07693	1.0
171.11641	17.9
172.12317	0.6
173.09560	1.2
173.13219	32.7
173.14667	1.4
175.11176	5.7
175.14790	22.3
177.03886	1.1
177.12743	1.5
177.16347	17.9
181.10022	2.8
183.11646	8.3
183.14845	0.7
184.12355	0.9
185.13226	14.6
186.12363	1.0
186.13928	1.1
187.14786	21.9
189.12753	3.3
189.16333	26.4
191.14288	3.2
191.17995	4.6
193.15845	3.1
195.11623	4.0
195.17444	0.9
196.12547	0.8
197.13232	7.6
199.07077	1.1
199.14786	19.1
201.08560	1.2
201.12717	1.4
201.16362	28.2
202.16716	0.8
203.14330	3.2
203.17947	12.1
205.15840	8.1
207.11633	0.9
207.17397	6.8
209.09091	0.8
209.13219	2.8
211.14760	7.1
213.12738	1.3
213.16328	12.2
215.14333	3.5
215.17928	12.0
217.15793	9.6
217.19443	3.0
219.17400	10.2
221.15399	0.8
221.18915	1.1
223.14781	2.4
225.16336	7.2
226.11775	2.2
227.17865	4.9
229.15871	2.7
229.19508	3.3
231.17386	12.6
233.18922	2.5
235.16837	0.7
237.16313	1.2
239.17847	3.5
241.19409	3.2
243.08592	0.7
243.17331	8.1
243.21080	1.4
249.18483	2.5
251.17995	1.1
253.19443	2.7
255.08458	1.0
255.17235	0.8
255.21136	1.4
257.18951	1.0
261.18448	0.9
265.19473	1.3
267.20990	3.9
269.06448	0.9
269.18973	2.6
271.20590	3.2
273.09692	0.9
279.20663	0.9
281.19064	0.7
281.22495	1.2
283.20526	2.9
285.22015	1.1
287.07446	0.8
293.22586	1.0
295.24088	1.4
297.21933	1.3
303.19623	1.5
305.08563	4.9
305.22308	0.7
309.11798	1.1
309.22104	1.0
311.23645	1.4
313.24936	0.8
321.20618	1.3
321.25778	1.6
323.27573	0.7
325.25116	0.9
335.27188	3.3
339.26611	1.5
353.28412	5.8
361.28778	2.9
365.19235	0.7
379.29916	7.1
401.32047	3.9
407.32968	7.0
409.34460	1.1
419.32980	28.0
420.33347	2.6
425.33743	1.1
437.34067	51.5
438.34335	3.6
439.31918	11.8
455.35205	8.5
456.35245	0.7
457.33054	1.0
461.34149	0.8
467.35077	17.3
468.35333	0.8
479.35159	32.8
480.35202	2.5
485.35876	2.4
490.45599	0.9
497.36185	99.0
498.36484	7.1
515.37231	41.3
516.37500	3.0
577.34808	1.0
595.36786	6.0
613.36987	0.9
655.38159	4.5
673.39563	4.4
853.19763	0.7
866.42542	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.6864
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07291	4.3
71.08542	0.3
81.06963	0.3
85.10101	0.3
86.09625	44.3
87.09991	0.7
95.08512	0.2
98.98396	4.1
104.10678	33.2
105.11031	1.0
124.99961	30.6
125.86411	0.2
138.75996	0.2
139.01521	0.3
141.05844	0.2
143.01042	0.9
146.98172	0.2
159.06444	0.2
160.15186	0.1
163.01450	0.2
166.02588	0.2
184.07303	100.0
185.07671	1.0
194.14751	0.2
198.08844	0.6
205.44112	0.2
251.14696	0.2
251.59833	0.2
258.10846	0.2
313.27313	1.0
460.25104	0.4
462.94058	0.2
478.32870	2.0
496.33896	18.9
497.33887	1.1
504.34250	1.1
510.35159	0.2
518.31726	0.2
519.32202	0.3
520.32587	0.4
522.35468	16.1
523.35516	0.8
625.45251	0.2
643.56470	0.2
679.40222	0.2
1017.68597	7.1
1018.66846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08067	10.2
81.06991	3.5
84.04436	3.0
84.08067	23.0
84.95951	11.1
85.02859	1.7
86.09628	6.5
87.08244	2.0
91.05395	2.3
93.07000	1.9
95.08518	3.9
98.97509	15.9
105.06999	3.4
107.08537	7.4
109.10093	3.8
110.07121	4.0
110.97521	1.9
116.98571	25.0
119.08530	7.5
120.08047	14.2
121.08324	1.6
121.10133	6.2
123.11661	1.9
128.98570	11.0
129.10173	15.7
131.00148	3.8
133.10112	2.2
134.99632	16.4
136.07530	7.4
143.00162	3.4
144.98036	6.8
145.10141	1.8
146.99651	16.7
147.11685	3.4
149.01166	7.2
153.00739	2.9
155.11795	2.0
158.99651	10.7
159.11577	2.1
161.01164	21.9
161.13216	2.3
162.99092	16.2
165.00598	2.6
170.99654	12.1
173.01187	7.7
174.99106	8.5
175.02638	2.5
175.14769	3.1
177.00664	29.5
179.02266	2.8
182.99631	2.4
185.01137	2.7
186.99080	2.0
189.00635	17.9
191.02280	3.2
194.99721	3.6
195.01759	8.2
198.99182	2.0
201.00676	20.4
203.02295	3.6
205.00134	3.8
207.01686	2.7
213.00655	3.3
219.01697	35.2
229.00266	2.3
231.01782	2.2
237.02768	37.0
240.13229	1.7
242.03276	1.9
243.01758	2.7
255.03841	2.7
261.02682	11.7
279.03876	37.1
285.47852	1.6
289.02246	8.5
301.02237	8.2
307.03339	10.9
319.03329	7.9
335.02744	25.9
344.08456	1.9
359.02759	1.8
377.03900	13.7
395.04996	5.9
506.63040	2.0
641.36914	1.8
961.26715	3.0
961.44427	57.4
962.44666	2.0
979.45386	100.0
980.43488	4.0
1002.47028	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	1025.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	37.7
71.04911	31.7
72.08060	10.6
73.02833	24.5
75.04390	4.1
76.57367	1.8
79.05402	15.9
81.06976	49.5
82.07308	3.0
83.04906	22.0
83.05321	2.7
83.08544	13.6
84.04422	3.0
84.08081	21.4
85.02827	97.0
86.03165	3.5
86.09625	11.1
91.05412	21.4
93.06970	43.3
94.07327	2.5
95.01265	15.7
95.04873	8.1
95.08533	100.0
96.08865	10.5
97.02824	23.1
97.10095	4.2
99.04368	2.3
101.02329	28.7
102.02637	1.9
103.03886	2.7
105.06982	38.4
106.07320	3.6
107.08543	59.9
108.08825	7.0
109.02805	1.9
109.06443	2.0
109.10107	74.8
110.07111	3.6
110.09724	1.8
110.10443	8.0
111.04380	16.5
111.08067	3.7
111.11658	3.3
113.02325	3.8
115.03903	9.1
119.08534	60.6
120.08049	14.5
120.08858	4.2
121.10094	53.2
122.10442	2.9
123.11652	27.9
124.12045	2.3
127.03886	14.7
128.07976	2.2
129.05450	11.5
129.10210	11.6
129.36525	1.9
131.03381	9.2
131.08546	10.0
133.10097	51.7
134.10472	6.5
134.84625	1.8
135.11661	38.0
136.07559	2.9
136.12000	3.5
137.13232	7.8
139.03922	2.5
139.11226	2.5
141.01788	45.2
142.02171	2.1
143.08473	3.9
145.04910	29.8
145.10071	20.0
146.05368	2.1
147.11679	46.5
148.12030	3.5
149.13257	27.2
150.13591	2.1
151.11160	2.1
157.10027	3.8
159.02864	3.6
159.11644	24.1
161.13211	44.6
162.13635	3.0
163.14827	15.7
164.15117	2.0
165.12657	2.1
171.11624	4.3
173.13234	17.7
174.13647	3.3
175.14757	29.4
176.15263	3.1
177.16379	28.6
185.13234	3.8
187.14784	14.5
188.15083	3.3
189.16360	27.4
190.16737	10.3
191.17973	20.7
192.18230	2.6
199.14760	8.2
201.16373	19.5
202.16673	2.2
203.17905	30.0
204.18304	3.1
205.15927	2.0
205.19502	8.3
207.17441	10.6
213.16354	7.9
215.17903	16.9
216.18170	2.9
217.19556	31.0
218.19824	8.5
225.07578	3.6
227.17795	3.3
228.18268	2.2
229.19446	22.3
230.19580	3.4
231.20999	2.6
232.21292	2.1
241.19403	8.0
243.21030	7.4
255.21088	10.7
257.22552	4.6
269.22562	3.8
270.23047	2.3
297.25650	3.9
305.08633	2.4
365.32187	3.2
405.34982	22.0
406.35284	3.1
407.36682	37.2
408.37018	35.0
409.37308	4.7
423.36136	76.6
424.36432	9.4
425.37442	12.5
426.38007	8.0
427.38419	3.2
442.20154	2.0
581.38159	8.3
599.38885	2.9
602.41125	3.4
653.76208	2.1
726.47296	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	1025.531
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	12.9
72.08047	2.0
73.02825	10.4
75.04389	3.0
78.05184	0.4
79.05403	6.2
81.06502	1.1
81.06969	22.5
83.08546	5.2
84.08075	4.0
85.02827	22.5
86.09618	3.2
91.05402	7.5
92.32954	0.5
93.06969	19.2
93.15306	0.5
95.01247	14.6
95.04885	0.8
95.08532	49.6
97.02823	14.2
97.10095	3.4
98.09669	0.5
99.00736	0.7
99.04385	1.3
101.02310	27.7
103.03867	2.3
103.05410	0.5
105.06977	21.4
107.08537	30.1
109.02818	0.8
109.06470	2.1
109.10104	34.1
109.10863	1.1
110.07104	2.0
111.08021	5.7
111.11667	2.3
113.02305	2.8
115.03894	5.1
115.95448	0.5
117.06950	2.0
119.08533	30.3
120.08066	3.3
121.10087	27.9
121.10929	1.1
123.11659	12.5
127.03871	55.8
129.10214	2.2
130.10516	0.5
131.08525	8.9
133.04948	0.6
133.10092	25.5
135.04250	0.5
135.11656	21.1
137.13249	4.1
139.11197	0.9
141.01802	28.5
141.81783	0.6
143.08531	2.2
145.04932	28.2
145.10086	14.0
147.10483	0.9
147.11658	21.5
149.13235	11.9
151.11191	1.1
151.14783	0.9
157.10065	5.9
159.02829	3.6
159.11646	18.6
161.13217	18.3
163.11266	0.6
163.14771	8.9
169.09982	0.9
171.11703	4.3
172.12486	0.5
172.91020	0.5
173.13216	12.2
175.14771	12.4
177.00684	0.5
177.16341	12.0
179.17981	0.9
183.11670	1.1
185.13225	3.0
187.14769	10.2
189.16338	12.9
189.18040	0.5
191.17912	5.7
193.15787	0.8
195.11664	0.6
197.13191	0.8
199.14778	5.8
201.16335	22.5
202.16940	0.6
203.17917	20.1
205.15868	3.3
205.19464	4.5
207.17477	2.6
211.05991	0.9
213.16333	5.0
215.17917	9.7
217.15878	2.6
217.19455	11.2
219.17363	2.1
219.20889	0.7
225.16318	0.6
227.17870	7.9
229.19443	8.1
231.17390	0.6
231.20984	2.0
241.19446	3.7
243.20943	5.0
245.18997	1.0
245.22571	0.7
253.19356	1.0
255.20947	4.6
257.22647	5.3
261.22046	0.9
267.21063	0.9
269.22583	5.8
271.24246	0.8
281.22583	1.0
283.24088	2.4
295.24063	1.1
297.25784	2.5
309.25711	0.7
365.31909	6.5
405.35022	20.1
406.34940	0.7
423.36118	100.0
424.36371	5.2
441.37039	2.4
467.41144	0.6
549.39227	2.1
567.40192	6.0
581.38263	17.6
582.37982	1.0
599.39191	9.0
725.42456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08074	22.4
73.02842	4.2
74.05998	2.7
75.04391	2.5
79.05424	10.8
81.02904	1.7
81.03344	29.6
81.06979	32.4
83.04901	23.1
83.06025	2.3
83.08540	6.8
84.04428	11.7
84.07594	2.1
84.08075	45.5
85.02830	100.0
85.08382	2.4
86.09624	26.2
87.00752	21.5
87.04410	1.3
87.05504	2.8
88.03898	1.7
91.05402	17.8
93.06980	25.6
95.01256	18.1
95.04891	7.1
95.08538	58.2
95.51631	1.0
97.02827	31.8
97.03442	1.2
97.06435	1.6
97.10093	2.1
98.06016	1.5
99.04386	10.0
99.60874	1.0
102.05475	4.7
103.03876	1.6
103.05397	5.3
105.01808	13.8
105.06985	28.1
107.04890	2.1
107.07867	2.1
107.08550	43.4
109.02840	23.8
109.06443	1.2
109.10110	47.7
110.07124	18.9
111.04394	20.3
111.08031	9.2
111.11678	1.8
113.02298	4.9
115.08593	1.5
117.01850	2.4
117.06993	1.8
119.04925	1.7
119.08539	35.1
120.08067	43.4
121.10103	32.3
123.08012	1.5
123.11668	17.0
124.12017	1.3
127.03898	39.8
127.04868	2.8
127.08629	1.5
128.04239	1.2
128.06157	1.3
129.01767	1.3
129.05487	10.3
129.06371	1.5
129.10194	24.0
130.10506	1.2
131.08565	8.7
133.10101	35.8
135.11668	25.3
136.07539	13.5
137.06905	1.4
137.07938	1.5
137.09668	1.1
137.13208	6.4
139.08707	1.6
139.11165	6.0
141.00797	1.8
141.01822	41.3
141.10187	2.4
143.08464	2.0
143.11754	2.1
145.04926	9.3
145.10088	15.8
147.06502	2.0
147.11673	24.7
149.13268	21.6
151.11131	2.1
155.08179	1.5
155.11865	1.3
157.10086	4.7
159.02875	21.1
159.11678	20.2
161.13231	26.4
163.11198	1.2
163.14795	17.9
165.12820	4.1
169.09752	1.9
171.11473	2.2
173.05641	1.2
173.13182	12.8
175.14821	20.1
177.12692	1.4
177.16312	15.3
183.07561	1.3
183.14767	1.2
185.13074	2.6
187.02840	1.2
187.14828	13.7
189.16360	18.8
191.17955	7.2
193.15802	2.2
195.17387	1.3
197.13013	1.4
199.14764	2.7
201.16389	16.8
203.17940	26.5
205.15863	2.7
205.19595	2.2
207.17422	5.6
213.03877	4.6
213.16394	6.0
215.05363	1.2
215.17885	16.2
217.19481	13.4
219.17404	11.4
221.12881	1.4
221.18941	5.6
227.17921	5.6
229.19504	17.2
231.04959	44.7
233.06580	1.4
233.18930	8.3
235.20462	1.9
241.19376	2.1
243.21033	5.4
245.18999	4.2
247.20584	8.7
249.06020	29.9
255.08662	1.6
255.20882	2.4
257.22586	4.6
259.20215	2.2
261.22150	2.0
269.22540	1.9
271.24170	1.6
283.24097	2.2
287.07675	1.4
295.24298	1.6
297.25674	2.0
305.08548	4.5
315.26822	2.0
341.08987	1.4
359.09528	6.0
365.32108	1.8
371.06607	1.1
377.10739	5.1
383.32843	5.8
389.07074	5.2
405.35199	12.1
407.08249	5.7
423.36133	76.8
424.36575	9.4
441.37207	68.2
442.37344	6.5
552.81470	1.3
581.37994	5.4
599.39197	13.9
600.39844	1.4
1003.67639	1.5
1016.93005	1.2
1019.77582	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04160	0.4
72.08073	3.6
73.02826	5.8
75.04401	4.0
79.05413	9.0
81.03320	2.0
81.06508	0.9
81.06977	25.3
83.01276	0.7
83.04897	10.1
83.06014	0.7
83.08541	6.1
84.04434	2.6
84.08066	6.5
85.02827	60.5
86.03164	0.5
86.09628	4.8
87.00746	1.8
87.04375	0.9
91.03885	4.6
91.05397	10.4
92.10806	0.5
93.04483	0.5
93.06971	22.3
95.01259	19.3
95.04889	3.4
95.05999	0.5
95.08531	51.4
97.02827	8.9
97.10088	3.9
98.06033	0.6
99.00774	2.1
99.04379	1.1
101.02314	0.9
101.07035	0.6
103.03870	2.0
103.05383	1.9
105.01820	2.1
105.06977	25.5
107.08539	39.3
109.02837	3.9
109.06451	2.0
109.10106	34.6
110.07124	5.5
111.04391	5.7
111.08036	6.1
111.11682	2.1
113.02327	2.9
115.03864	0.7
117.06973	2.4
119.08540	31.7
120.08072	6.5
120.08829	0.7
121.10100	30.9
123.00756	0.7
123.08015	0.5
123.11659	13.3
125.09576	0.5
127.03906	4.5
129.05441	9.8
129.06955	0.9
129.10193	2.3
130.07742	0.5
131.03375	2.1
131.08545	8.3
133.10101	29.8
135.11655	20.0
136.07553	2.6
136.12004	0.5
137.13222	4.9
139.11182	2.2
141.01804	38.0
142.02115	0.6
143.08549	3.0
144.09294	0.9
145.04929	3.5
145.10106	16.8
147.06534	4.7
147.11673	21.6
149.13245	14.9
151.11130	0.7
155.08217	0.6
157.10077	6.5
159.02887	4.8
159.11671	20.8
160.12231	0.7
161.13228	21.6
162.13535	0.7
163.05933	4.1
163.14754	9.0
165.10289	0.5
165.12741	0.9
169.10094	0.7
171.11659	4.8
172.12416	0.8
173.13214	17.6
175.14784	12.3
177.03926	0.8
177.16354	13.9
178.16557	0.7
179.17923	1.0
183.11739	0.7
185.13191	4.9
187.14780	15.9
189.16335	14.7
191.14265	0.7
191.17914	6.3
193.15843	0.7
197.13074	1.0
199.14766	4.8
201.16347	19.4
202.16794	0.7
203.17931	19.4
203.99915	0.4
205.15828	4.1
205.19563	2.6
207.17393	2.2
211.14764	1.8
213.16318	5.8
215.17900	10.7
217.15857	2.5
217.19487	11.7
219.17526	3.6
225.16347	0.8
227.17924	6.3
229.19475	9.9
231.17426	0.9
231.21016	1.0
233.18959	1.7
239.17975	1.8
241.19511	5.5
243.21019	8.8
245.18973	1.1
245.22594	1.1
253.19353	0.9
255.08656	0.5
255.21046	6.7
257.22601	5.9
259.20374	0.5
261.22116	0.8
267.21072	2.2
269.22540	8.1
271.24051	1.5
281.22632	0.9
283.24173	2.7
285.21790	0.5
287.07794	0.6
295.24200	1.9
297.25781	1.5
305.08591	2.6
309.11710	0.7
311.27298	0.9
313.25104	1.0
329.11139	0.6
333.20572	0.5
365.19366	0.6
365.32065	7.3
405.35077	24.2
406.35297	1.1
423.36139	100.0
424.36432	6.0
441.37384	1.8
509.36032	3.4
527.37732	3.2
527.43848	0.5
581.38348	12.6
582.38763	1.1
599.39166	8.1
685.39648	0.7
915.87494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.5628
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02838	5.2
75.04380	2.8
79.05404	6.2
81.03342	0.8
81.06510	0.9
81.06984	21.4
83.04909	8.9
83.08552	5.8
84.04446	0.7
84.08064	1.4
85.02831	49.1
86.09623	3.1
87.04411	0.9
88.68384	0.6
91.03886	4.7
91.05396	6.5
93.06438	1.0
93.06977	18.9
95.01273	13.4
95.04871	1.0
95.08535	47.1
97.02821	5.5
97.10107	3.4
99.00704	1.1
99.04409	0.7
101.05973	0.6
103.03854	1.4
105.06977	18.7
107.08548	29.3
109.06465	1.5
109.09399	1.3
109.10115	28.1
109.10867	0.9
111.04383	4.8
111.08028	4.7
111.11681	1.2
113.02321	3.3
117.06980	2.8
119.08549	25.6
120.08060	0.9
121.10104	24.4
123.11675	12.7
124.99962	0.7
127.03899	2.8
129.05417	7.7
129.06972	1.1
129.10194	0.7
131.03409	1.0
131.08536	7.2
133.10104	23.9
135.11668	19.7
136.07510	0.6
137.13255	3.0
139.11159	1.0
141.01813	27.4
143.08560	3.4
145.05003	1.4
145.10121	13.4
147.06485	3.8
147.11682	20.9
149.13225	13.3
151.11105	1.1
157.10057	4.5
159.02855	4.2
159.11676	17.2
161.13242	19.6
163.05954	3.2
163.14778	9.3
165.12651	0.8
171.11673	4.4
173.13258	12.6
173.83371	0.8
175.14806	12.1
176.07137	0.7
177.03880	1.2
177.12810	0.7
177.16351	14.2
179.17937	1.0
183.11650	0.9
184.07303	2.3
185.13232	3.4
187.14807	11.3
189.16328	12.2
191.14157	0.8
191.17955	5.4
193.15857	0.9
197.13208	0.7
199.14900	5.4
201.16367	16.2
203.17943	20.9
205.15851	3.7
205.19510	3.2
207.17455	1.5
211.14928	0.9
212.15512	0.6
213.16345	5.9
215.17908	7.9
217.15857	1.3
217.19498	13.5
219.17416	2.7
225.16400	1.2
227.17950	5.6
229.19501	9.5
231.21144	0.9
239.17874	0.7
241.19484	4.2
243.21031	7.1
245.19026	0.7
253.19476	1.2
255.21004	7.7
257.22507	5.1
267.20944	1.2
269.22586	6.6
271.24197	2.5
281.22641	0.9
283.24063	3.0
295.24118	1.3
297.25604	0.8
299.90167	0.7
305.08636	1.5
309.11765	0.8
311.42850	0.6
365.32083	7.1
405.29822	1.2
405.35101	26.4
423.36163	100.0
424.36383	5.3
441.37027	1.1
467.38535	1.5
581.38202	12.8
599.39343	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	103.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51594	1.9
51.01652	0.1
51.51484	0.2
53.01866	0.3
55.01808	0.2
56.04980	1.2
56.05213	0.1
56.96496	1.8
57.03368	0.6
58.01403	0.3
58.06533	0.7
58.90493	0.1
58.96104	2.3
58.99791	3.5
59.52121	5.9
59.96103	0.7
59.99876	0.3
60.00582	0.1
60.02155	1.1
60.04457	0.2
60.08095	0.2
60.50110	0.2
60.51996	0.9
60.95783	13.0
60.99549	0.6
62.02375	2.3
63.02253	0.3
64.33276	0.1
64.95481	0.2
68.50784	0.2
68.52641	4.5
69.02679	0.4
69.06992	1.7
69.50635	2.5
69.52507	0.3
71.02904	100.0
71.52959	18.3
72.02776	19.0
72.03110	0.8
72.08047	0.3
72.52881	2.2
73.02976	0.2
76.02429	0.3
76.51496	0.2
77.00806	2.8
77.02895	0.2
77.51294	0.7
77.53161	0.3
78.00917	0.2
78.03669	1.3
78.51142	3.5
78.52888	2.6
78.96790	0.2
79.00587	0.3
80.01581	0.8
80.03419	83.9
80.53144	5.1
80.53571	14.0
81.01416	4.6
81.03290	17.4
81.53422	1.8
82.01362	9.3
82.53691	8.1
82.99767	0.1
83.01402	1.0
83.03740	1.9
83.53564	1.2
84.01115	0.9
84.04441	0.2
85.71742	0.1
86.05993	0.9
86.09628	19.3
87.04385	1.3
87.09396	0.1
87.09917	1.0
87.51661	0.6
87.53413	1.1
88.52454	0.2
89.02115	1.1
89.02585	0.2
89.03384	0.3
89.03947	7.3
89.52146	0.2
89.53149	1.2
89.53733	1.9
90.01936	7.4
90.03799	1.7
91.53642	0.2
91.54214	3.9
91.99939	2.3
92.03424	4.6
92.03955	0.4
92.04321	0.3
92.49989	0.2
92.52164	0.3
92.52686	0.2
92.53499	0.7
92.54090	0.5
92.99851	0.2
93.04201	0.2
95.01868	1.0
99.02449	0.6
100.02414	94.8
101.00854	2.1
101.02489	12.6
101.03858	1.1
102.02174	8.2
102.02807	0.6
103.02473	0.3
103.03894	0.3
104.10681	1.8
105.00326	0.6
115.01111	0.2
118.03469	73.4
119.01875	25.9
119.03561	10.8
119.04783	0.1
120.01976	3.1
120.03222	6.5
120.03942	0.5
121.01633	2.4
121.03498	0.5
123.04015	2.6
124.02379	0.2
124.04097	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	1031.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08068	3.6
73.02832	8.2
75.04377	1.5
79.05402	6.5
81.06976	18.5
83.04903	13.0
83.08535	4.3
84.04414	1.7
84.08064	8.0
85.02827	40.1
86.09631	5.7
91.05393	9.8
93.06969	17.8
95.01261	12.8
95.04906	1.5
95.08534	48.5
97.02837	12.0
97.10072	3.8
99.00709	1.1
99.04376	1.2
101.07076	1.0
103.03854	1.7
103.05412	1.5
103.93186	0.9
105.06988	17.8
107.08535	31.6
109.06459	1.3
109.09393	1.9
109.10106	33.4
110.07093	4.1
111.04359	7.7
111.08021	5.2
111.11649	1.9
113.02284	2.0
115.03886	5.7
119.08531	27.5
120.08037	7.5
121.10105	24.6
123.11658	13.2
127.03853	1.2
129.05472	7.3
129.06277	0.9
129.10159	4.8
131.08516	6.5
133.10104	24.3
135.11665	17.9
136.07538	1.5
137.13232	5.8
141.01788	29.7
143.08521	2.2
145.10103	12.5
147.06499	1.6
147.11694	20.9
149.13257	13.8
157.10083	3.8
159.02837	4.1
159.11653	13.3
160.12535	0.9
161.13228	18.7
162.13553	1.1
163.14812	8.4
171.11626	4.6
173.13228	11.6
175.14810	10.0
177.16357	10.1
182.71153	0.9
183.11671	1.3
184.07239	1.2
185.13174	3.6
187.14793	13.3
187.16318	1.3
189.16338	14.8
191.17882	5.6
199.14812	5.4
201.16359	19.5
203.17905	16.9
205.15814	2.0
205.19495	1.4
213.16365	4.6
215.17870	7.4
217.15826	2.0
217.19450	11.1
219.17471	2.2
225.07603	1.8
225.16292	1.2
227.17912	5.3
229.19464	10.4
231.20979	1.2
239.17876	1.7
241.19409	5.6
243.08487	1.3
243.21019	8.5
245.18843	1.1
247.52840	1.1
255.20975	7.0
257.22635	6.0
267.20920	1.2
269.08704	1.0
269.22598	6.1
281.22534	1.0
283.24100	1.6
285.22195	1.2
295.24020	1.3
305.08432	1.7
309.25504	1.3
331.30533	1.0
365.31836	6.3
405.35172	19.2
406.35040	1.2
423.36148	100.0
424.36557	7.0
441.36908	1.5
499.37570	4.4
581.38184	12.2
599.39282	8.7
712.72308	1.2
743.24670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08073	0.9
73.02833	14.7
76.65117	0.5
77.90147	0.5
79.05405	19.5
81.03334	4.9
81.06976	53.2
83.01254	1.1
83.04901	5.2
83.08541	7.7
84.04446	2.3
84.08054	5.6
85.02828	93.5
85.06462	1.2
86.09636	3.0
87.04408	1.0
91.03880	41.7
91.05403	22.3
92.05655	0.5
92.83475	0.5
93.06973	51.0
95.01257	34.9
95.04897	8.6
95.08532	91.9
96.08865	0.9
97.02823	39.6
97.06459	7.0
97.10111	3.8
99.00756	2.3
99.04392	4.6
99.08019	3.2
101.02308	3.2
103.03871	3.3
105.06975	56.5
107.08539	71.6
109.02821	5.3
109.06461	10.2
109.10107	57.6
110.07104	3.0
111.08035	16.6
113.02306	5.2
115.03899	1.1
115.05418	1.4
117.05420	0.6
117.06977	7.8
119.08539	78.5
120.08067	1.3
120.08835	0.7
121.06474	4.3
121.10098	56.9
123.00739	0.6
123.08028	9.4
123.11652	16.5
125.09560	4.5
127.03870	21.7
128.06206	2.8
129.06963	3.5
129.10216	2.5
130.07765	0.8
131.03407	2.7
131.08536	25.6
133.10095	82.3
135.08052	7.5
135.11665	34.8
137.09589	4.7
137.13258	4.0
139.11145	2.6
141.01805	75.8
141.06970	1.0
142.02139	0.6
142.07756	3.5
143.08560	12.1
144.09337	3.1
145.04933	24.8
145.10107	55.6
146.10632	0.7
147.07993	3.0
147.11673	48.2
149.09604	6.0
149.13232	39.8
150.13504	0.6
151.11157	4.1
151.14771	1.0
153.09164	0.7
155.08501	3.0
156.09315	3.7
157.10104	23.9
158.10910	2.1
159.02867	8.9
159.11659	61.3
160.12209	1.1
161.09604	6.7
161.13223	37.8
163.05980	27.9
163.11162	3.4
163.14777	14.5
165.12753	3.2
168.09323	0.7
169.10088	8.2
170.10898	1.4
171.11661	19.5
172.12447	0.9
173.09619	2.8
173.13222	35.7
173.62611	0.6
174.14008	0.8
175.11172	6.3
175.14783	25.4
176.15213	0.6
177.03931	3.8
177.12756	3.4
177.16338	20.6
179.14268	1.0
181.10143	0.9
182.10716	1.0
183.11652	11.3
184.12393	1.3
185.09576	0.6
185.13216	14.4
186.13934	0.8
187.11148	2.5
187.14783	25.2
188.15378	0.8
189.12759	3.6
189.16348	33.0
191.14272	3.3
191.17903	4.7
193.15851	3.9
195.11653	4.0
195.17432	1.2
196.12541	1.0
197.13229	9.0
198.14029	0.9
199.14777	16.2
201.12712	3.0
201.16347	29.2
201.18161	1.2
203.14273	4.9
203.17928	14.0
205.15865	10.5
205.19479	0.8
207.11673	1.1
207.17427	7.4
209.13231	3.1
210.14125	0.7
211.11142	0.7
211.14758	7.5
213.12935	0.9
213.16339	17.9
215.14423	5.1
215.17905	16.0
217.15852	14.1
217.19473	3.0
219.17403	10.6
221.13181	0.8
221.19022	1.2
223.14828	4.1
225.16418	6.6
225.18315	0.9
227.14206	0.8
227.17892	5.4
228.18642	0.7
229.15840	3.2
229.19481	3.1
231.15347	0.6
231.17401	14.5
233.15526	0.7
233.18927	3.6
235.14705	1.3
235.16856	1.3
237.16389	2.6
239.17851	4.1
241.15814	1.3
241.19405	2.7
243.17441	7.2
243.21053	2.8
245.18773	2.0
247.16850	0.6
247.20699	1.0
249.16243	1.0
249.18497	2.8
251.17899	2.8
253.19467	3.6
255.17433	1.2
255.21045	2.7
257.18942	3.5
257.22546	0.6
259.17313	0.7
259.20425	0.8
261.18604	0.7
265.19489	2.9
267.17358	1.0
267.21051	2.3
269.19000	2.6
269.22556	2.3
271.20493	3.2
279.20975	1.0
281.19415	0.6
281.22595	2.9
283.20596	2.4
283.24213	0.7
285.22128	1.2
291.19370	1.1
293.22464	0.9
295.24142	2.1
297.22049	2.3
303.07050	1.2
303.19501	1.2
307.23959	1.1
311.23660	3.6
321.08160	5.0
321.20532	3.4
321.25549	2.2
323.23550	0.8
323.27075	0.7
325.11243	1.1
325.25348	0.7
329.20956	0.7
331.22632	1.2
335.27295	3.7
339.09064	2.3
339.26843	1.3
349.23880	0.6
353.28287	7.1
361.24438	0.6
361.28915	2.1
365.19589	1.3
371.26181	0.6
377.28198	1.0
379.29880	7.8
389.31763	0.7
391.33783	2.2
401.31995	4.4
407.33170	7.6
409.34515	2.3
419.32980	31.8
425.34344	0.9
437.34070	53.3
438.34482	2.1
439.31952	12.6
455.35074	8.4
457.32724	0.9
461.33749	0.9
467.35074	21.7
468.35272	0.9
479.35135	33.7
480.35547	0.9
485.36044	1.3
485.77216	0.9
497.36163	100.0
498.36624	4.2
515.37256	36.8
516.37439	2.4
577.34778	2.7
595.36285	3.9
613.37207	1.2
637.36993	0.7
655.37897	3.6
673.39032	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	1035.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03844	0.0
90.99307	0.0
91.05396	0.3
105.03320	0.1
110.07114	0.1
111.04369	0.1
118.04066	0.4
118.74937	0.0
119.04885	0.3
121.02801	0.2
123.04507	0.0
125.02275	0.2
128.06189	0.1
128.13425	0.1
133.02821	0.2
134.03580	0.1
135.04419	0.1
137.02324	1.1
139.03867	0.4
139.05396	0.1
141.06927	0.4
145.02826	0.9
149.02351	0.1
151.03876	0.1
152.01028	0.3
153.06953	0.2
157.06444	0.4
161.02260	0.1
163.03821	0.1
167.03342	0.9
168.05688	0.5
169.06427	1.4
171.07991	0.2
181.06430	0.4
183.04422	0.1
185.06033	0.2
186.06688	0.2
196.05196	0.6
197.05939	2.2
198.06407	0.1
199.07520	1.5
200.04849	0.1
201.09016	0.1
211.07465	0.1
213.05429	0.3
214.06181	0.7
215.07114	0.1
224.04625	0.2
225.05432	3.6
226.06055	0.3
227.06999	0.9
229.08563	3.8
230.08920	0.1
237.05417	0.3
239.06978	0.1
241.04887	0.2
241.08510	0.0
242.05675	4.8
243.06100	0.2
252.04198	0.1
253.04823	0.5
254.05629	0.3
255.06462	21.3
256.06836	0.7
257.08060	0.8
267.06406	0.2
269.04340	0.3
270.05167	18.5
271.05493	0.6
285.07516	100.0
286.07855	2.9
378.04276	0.0
503.11734	1.5
533.12823	2.9
534.12665	0.1
818.06445	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	1039.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08065	36.5
73.02811	4.6
74.05962	4.9
75.04387	2.0
79.05392	4.8
81.06951	8.5
82.06482	1.2
83.04900	5.7
83.06011	2.7
83.08524	2.0
84.04010	1.2
84.04433	18.4
84.08063	100.0
85.02346	1.8
85.02821	26.5
85.08398	2.5
86.09624	34.6
87.05518	8.3
88.03924	2.6
91.05404	21.6
93.04477	1.6
93.06977	9.9
95.01216	4.7
95.04861	1.9
95.08530	25.4
97.02794	6.5
98.09618	2.2
99.04390	1.4
99.05515	2.7
101.02305	11.0
101.07049	4.5
101.10694	1.5
102.05465	5.9
103.05396	5.9
105.06962	12.6
107.04888	2.0
107.08537	17.3
109.10092	13.9
110.07108	16.8
110.09626	2.1
111.07998	2.0
111.09167	1.3
111.11641	1.5
112.07547	1.6
113.02274	1.1
113.07059	1.1
115.03854	2.5
115.05016	1.4
115.08634	2.6
119.04898	7.7
119.08546	14.3
120.08054	47.2
120.08912	1.9
121.08383	1.9
121.10100	10.0
123.11618	5.4
127.03882	28.9
127.04829	3.2
127.08591	1.6
127.27367	1.0
129.05412	2.2
129.06528	1.2
129.10194	58.7
130.04907	2.4
130.08623	1.7
130.10561	2.2
131.08543	1.8
132.08043	1.7
133.06017	1.3
133.10072	13.5
135.11649	9.2
136.07559	36.6
136.08530	1.4
136.91415	1.3
137.07907	1.9
137.13245	1.4
138.12764	1.2
139.08673	1.5
141.01796	15.3
141.06523	1.5
141.10182	7.8
143.08427	1.3
143.11694	1.8
145.04916	15.6
145.10078	8.4
147.11690	9.4
149.13217	6.4
152.14296	1.4
155.08127	4.5
155.11758	4.3
157.09811	1.5
158.09541	1.5
159.07590	1.9
159.11629	12.3
161.13176	7.7
163.14763	4.5
167.08112	1.2
167.11627	1.1
169.09692	2.5
169.13321	4.6
171.11560	1.9
173.13191	7.8
175.14742	5.6
176.10564	1.4
177.16324	4.4
181.05963	1.5
181.09650	1.7
184.07233	4.2
185.09154	7.4
185.12877	1.2
186.12303	2.0
187.14659	5.1
189.16350	6.1
191.17937	1.9
195.11140	1.2
197.12755	2.0
197.16548	2.1
199.07133	1.2
199.14745	1.7
199.62166	1.1
201.12384	2.0
201.16364	10.3
203.17993	8.8
211.14612	1.3
212.10291	1.5
213.08679	4.9
215.17920	4.0
217.08209	1.7
217.19397	4.7
219.17412	1.3
221.12767	5.3
223.10652	1.5
228.13353	1.1
229.19594	2.5
230.07649	1.7
238.11880	1.7
241.19281	1.7
249.12277	2.3
251.10269	1.5
252.13277	1.5
255.20901	1.5
257.22528	1.4
258.51309	1.1
269.22638	2.3
270.14560	2.0
296.12515	1.2
372.18311	1.7
405.34933	10.3
423.36124	43.2
424.36496	1.6
567.40308	1.5
581.37836	5.0
599.38800	1.6
668.57385	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08067	0.6
73.02836	8.9
75.04411	5.7
79.05408	8.3
81.03342	2.0
81.06506	0.9
81.06980	26.0
83.04904	12.4
83.08555	4.6
84.04485	0.5
84.08072	2.9
85.02833	58.3
87.04390	1.7
91.05409	8.5
93.06976	20.2
95.01259	13.8
95.04900	2.9
95.08538	55.8
95.49127	0.4
96.08903	0.5
97.02828	13.2
97.06457	0.8
97.10111	3.5
97.99472	0.4
99.00763	1.0
99.04404	2.4
101.02322	28.3
103.03872	2.8
103.05418	0.6
105.06985	25.6
107.08547	35.4
108.08879	0.8
109.02845	0.9
109.06471	2.1
109.10118	35.3
110.10445	0.5
111.04403	8.8
111.08043	6.5
111.11668	2.8
113.02335	3.3
113.05949	0.6
115.03899	6.9
115.05486	0.5
117.06970	2.0
119.08546	31.4
120.08048	0.7
121.10106	26.7
123.08059	0.6
123.11658	14.7
125.09610	0.6
127.03886	51.4
128.04265	0.5
129.05466	7.0
129.06999	0.9
129.10266	0.9
131.03400	0.6
131.08542	8.2
133.04956	2.0
133.10101	26.4
135.11667	19.7
136.12065	0.6
137.09589	0.7
137.13226	4.6
139.03894	2.3
139.11139	1.1
141.01814	30.0
143.08542	3.7
144.09384	0.6
145.04955	29.4
145.10114	18.7
147.06522	3.5
147.10484	0.8
147.11674	22.1
148.12013	0.7
149.13245	17.9
151.11165	0.9
153.05411	0.5
156.09386	0.6
157.04929	0.7
157.10123	6.8
159.02863	4.2
159.11674	20.2
161.13231	19.6
162.13603	0.7
163.14781	11.7
165.12854	0.5
169.10065	0.7
171.11670	4.0
173.13240	12.0
174.13757	0.7
175.14798	14.5
177.03888	0.7
177.16364	16.5
179.17966	0.9
183.02789	0.5
183.11638	0.7
184.12370	0.5
185.13240	4.0
187.14763	10.5
189.16385	15.3
189.18117	0.7
191.17931	7.7
193.15924	1.8
195.17479	0.7
197.13306	1.8
199.14810	4.9
201.16364	21.9
202.14972	0.5
202.16797	1.1
203.17934	21.0
204.18332	0.5
205.15791	4.0
205.19580	3.5
207.17474	1.9
211.14822	1.0
213.16348	5.2
215.17934	10.1
215.19772	0.7
217.07036	0.6
217.15907	1.9
217.19493	16.6
219.17461	3.1
219.21094	0.8
225.07608	2.0
225.16264	0.6
227.17958	7.8
229.19452	9.9
230.19926	0.5
231.17397	0.8
231.21074	1.1
233.19000	1.9
239.17947	2.0
241.19347	4.7
243.08658	2.3
243.21027	5.9
245.18929	1.0
245.22594	0.7
252.71500	0.5
253.19461	1.8
255.21077	6.2
257.22617	5.6
259.20441	0.5
267.21112	1.0
269.22583	7.4
271.20627	0.5
271.24173	1.8
279.10706	2.1
281.22681	2.0
283.24222	3.0
287.07755	0.6
295.24084	2.2
297.25824	2.4
297.58957	0.5
305.08621	2.8
311.27161	1.8
313.25330	2.0
341.71701	0.5
363.30585	0.9
365.32001	8.3
378.42102	0.5
393.35229	2.3
405.35114	22.6
406.35333	2.6
423.36169	100.0
424.36465	12.9
435.95715	0.6
441.37268	5.4
549.39081	0.9
567.40399	5.5
568.41461	0.6
581.38336	14.6
582.38629	2.1
599.39307	7.0
608.69055	0.5
725.42090	1.1
775.34143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08071	37.3
73.02833	4.4
73.08406	1.9
74.05994	5.2
75.04391	1.7
75.05528	0.3
78.29285	0.4
79.05421	3.9
80.04947	0.4
81.03344	0.7
81.04466	0.6
81.06973	13.5
82.02890	0.3
82.06499	1.8
83.04903	7.9
83.06015	4.2
83.08549	3.0
84.04427	16.8
84.08068	100.0
85.02828	26.7
85.03947	0.8
85.04784	0.5
85.08411	4.4
85.09476	0.4
86.09630	33.2
87.04393	0.4
87.05523	7.9
87.09962	2.1
88.03919	4.6
91.05406	22.7
92.05738	1.8
93.04440	1.7
93.06970	11.5
94.06515	0.7
95.01238	5.4
95.04902	3.0
95.06004	0.6
95.08536	31.1
95.09151	1.0
96.04406	0.6
96.08060	1.7
97.02811	6.9
97.07586	0.5
97.10112	2.0
98.02325	0.8
98.05999	0.6
98.09644	2.2
99.00752	0.7
99.04366	0.6
99.05505	1.7
101.02324	6.8
101.07066	4.4
101.10741	0.7
102.05479	5.9
103.05385	4.5
105.06973	11.0
107.04890	2.6
107.08541	20.7
109.06445	0.6
109.10107	20.6
110.02350	0.6
110.05994	0.8
110.07124	18.9
110.09634	3.6
111.04402	4.6
111.05494	0.5
111.08077	1.4
111.09165	2.2
111.11681	0.9
112.07555	1.6
112.11154	0.6
113.02346	0.8
113.07079	1.0
115.03868	3.1
115.05027	2.3
115.08656	0.9
117.07002	0.8
118.06453	0.7
119.04893	6.1
119.07287	0.6
119.08543	18.2
120.08063	47.3
121.07693	0.5
121.08379	3.0
121.10098	16.4
122.05978	0.8
123.05390	0.4
123.11666	8.2
125.00023	0.4
125.07099	0.9
126.05486	0.5
127.03887	22.2
127.04987	3.8
127.08656	2.3
128.10689	0.7
129.05463	3.8
129.06593	1.9
129.10202	57.7
130.04955	0.8
130.08647	0.5
130.10559	3.9
131.08546	4.1
132.08075	0.6
133.05042	0.4
133.06071	0.8
133.10092	16.2
133.11015	0.7
135.06706	0.4
135.11661	18.3
136.03993	0.6
136.07558	34.6
137.07909	2.4
137.13243	3.7
138.09161	0.4
138.12738	1.5
139.03938	0.9
139.05013	2.2
139.08647	3.2
139.11174	0.5
140.07043	0.7
141.01796	13.6
141.06575	1.0
141.10208	6.8
142.10542	0.5
143.08301	1.9
143.11720	3.2
145.04967	4.3
145.06018	1.3
145.10112	6.7
146.06024	0.5
147.04398	0.7
147.06528	2.2
147.11671	12.8
149.13243	6.8
151.08629	1.7
152.14348	2.1
153.06558	0.8
153.10220	1.0
154.04916	0.5
155.04515	0.5
155.08130	3.7
155.11777	5.6
157.06007	0.5
157.09734	3.2
157.13339	1.8
158.09624	0.9
159.02898	1.8
159.07671	2.7
159.11560	8.1
160.07602	0.6
161.13216	10.9
163.14795	5.4
165.10210	0.9
166.06105	0.5
167.04526	1.0
167.08119	3.4
167.11800	2.2
168.11270	0.5
169.09656	5.3
169.13315	6.3
171.07692	1.0
171.11513	2.5
172.07153	1.0
173.05548	2.9
173.09204	1.7
173.13156	6.6
175.14796	9.3
176.10674	2.5
177.10188	0.6
177.16356	7.2
178.08582	0.6
180.11351	1.0
181.06024	3.4
181.09735	1.9
182.12875	0.9
183.11307	2.1
183.14922	0.6
184.07272	3.1
185.05539	1.0
185.09190	6.9
185.12955	2.8
186.09009	3.1
186.12358	3.0
187.07155	0.9
187.10841	0.8
187.14761	6.3
189.08757	0.7
189.16359	10.0
191.17938	7.4
193.09680	1.0
193.15852	1.0
195.07690	0.7
195.11308	2.1
195.17461	1.6
197.12881	3.9
197.16528	1.0
199.07140	3.0
199.14883	1.9
200.10483	1.0
200.13867	0.5
201.12300	0.5
201.16377	7.8
202.12320	0.5
203.06680	0.9
203.17929	14.7
205.19554	1.0
207.11314	0.5
207.14966	0.4
207.17607	0.6
210.12376	0.8
211.10811	0.6
212.10332	2.0
213.08676	7.4
213.16368	2.7
215.13925	0.9
215.17876	5.0
217.08238	3.3
217.19475	8.9
219.17413	0.6
221.12782	5.9
222.12637	0.5
223.10736	3.4
224.17564	0.9
225.07510	1.0
226.08250	0.7
226.11865	0.7
226.15469	0.9
227.06569	1.6
227.17896	2.7
228.13533	1.9
228.18605	1.4
229.11752	1.3
229.19481	9.3
230.07761	2.4
230.15036	0.7
231.11269	2.0
231.21057	1.8
232.11217	0.5
238.11824	1.7
240.13467	2.6
241.19466	1.5
243.08598	0.9
243.13345	0.8
243.21118	1.8
245.07710	1.0
249.12352	2.7
249.16084	0.6
250.12421	0.6
251.10396	0.8
252.13504	2.5
255.21075	1.9
257.22528	3.0
259.14511	0.6
259.24344	0.5
266.15787	0.5
268.16495	0.6
269.12604	0.5
269.22684	2.3
270.11264	0.5
270.14319	2.9
271.24252	0.9
279.10645	1.8
281.22690	0.5
286.13815	0.6
296.12491	2.7
297.25912	0.5
298.13928	1.7
305.08572	0.8
314.13501	2.4
320.12500	0.5
323.09616	0.8
354.17581	0.8
365.31946	2.3
372.18695	1.9
387.20319	0.9
388.18271	0.4
393.35361	0.5
405.21149	0.5
405.34970	5.6
407.36682	14.7
423.36160	49.5
424.36505	2.5
425.37830	0.6
441.37177	5.2
488.24854	0.4
495.99280	0.6
508.20602	0.6
549.39197	2.0
567.39868	3.1
581.37830	4.3
599.39240	6.1
606.69165	0.6
879.10516	0.6
930.49792	0.5
942.48767	0.7
954.34503	0.5
1018.94781	0.8
1050.37183	0.6
1057.53210	0.6
1068.87927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1068
Annotation	Choline chloride
Peak:m/z	Relative Intensity
51.49834	0.0
53.97834	0.0
54.81165	0.1
58.06526	1.5
58.06796	0.1
59.07314	0.6
59.36503	0.1
60.08094	19.2
61.08433	0.1
62.09962	0.0
64.52174	0.1
68.43984	0.1
69.03338	0.1
86.05998	0.1
87.04389	0.4
104.10675	100.0
105.11005	0.8
106.39669	0.1
120.09429	0.1
121.42972	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	1040.5786
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08071	36.4
73.02832	8.4
73.03958	0.5
73.08411	1.0
74.05989	5.8
75.04388	4.5
77.03842	0.7
79.05404	5.3
81.03336	1.1
81.06977	23.4
81.07453	1.0
82.06496	2.2
83.04903	9.8
83.06005	4.4
83.08548	5.0
84.04425	14.0
84.08066	100.0
85.02827	63.4
85.03918	0.9
85.06519	0.5
85.08398	4.6
86.03161	1.0
86.06023	0.5
86.09627	30.5
87.04391	1.9
87.05514	7.5
87.09954	1.1
88.03918	4.8
91.05406	24.0
91.09364	0.5
92.05727	0.7
93.04441	2.1
93.06972	16.3
95.01257	4.3
95.04896	3.7
95.06027	0.8
95.08535	45.1
96.04464	0.5
96.08040	1.1
96.08865	0.5
97.02831	15.3
97.10101	3.8
98.02353	0.8
98.09618	2.9
99.00765	0.9
99.04374	3.1
99.05493	2.4
100.03873	0.6
100.07562	0.7
101.02321	16.0
101.07077	4.1
101.10725	2.1
102.05487	6.2
103.03868	1.1
103.05389	5.4
105.06979	15.1
107.04900	2.2
107.08540	28.4
108.08902	0.5
109.02824	2.0
109.06477	0.9
109.10107	28.4
110.02392	0.8
110.05971	0.8
110.07116	18.4
110.09626	3.7
110.10374	0.7
111.04391	8.4
111.05504	0.7
111.07430	0.8
111.09151	1.0
111.11670	2.1
112.07558	2.6
112.11144	0.6
113.02328	1.1
113.05907	0.5
113.07104	1.0
113.10693	0.7
114.09091	0.6
115.03883	8.2
115.05022	2.3
115.08641	3.2
117.05481	0.6
117.06974	1.9
118.06525	0.9
119.04903	6.1
119.08537	21.7
120.08062	49.5
121.06565	0.6
121.07647	0.5
121.08399	4.7
121.10096	22.3
123.00717	0.5
123.05550	0.6
123.08003	0.5
123.11658	13.9
124.03854	0.4
125.02285	0.5
125.07076	0.7
126.05489	1.0
127.03881	43.8
127.04948	3.1
127.08640	2.1
128.04263	0.5
129.05452	13.6
129.06450	1.0
129.10201	56.5
130.04979	2.0
130.10561	3.8
131.08537	4.1
131.11731	0.5
132.07950	0.6
133.04929	2.0
133.05981	1.4
133.10097	18.7
135.11667	17.2
136.03911	0.8
136.07556	34.5
137.07887	2.4
137.13235	9.8
138.09164	0.7
138.12759	0.7
139.03889	2.6
139.05022	2.1
139.08667	3.9
140.07076	1.0
140.14326	1.1
141.01807	14.7
141.06584	2.1
141.10202	7.6
142.12283	0.6
143.08475	2.6
143.11789	3.5
145.04956	21.6
145.06065	1.4
145.10095	8.5
146.08127	0.7
147.04453	0.5
147.06503	6.3
147.11671	12.7
149.06966	0.5
149.13248	11.4
150.13582	0.6
151.08696	1.0
151.14851	0.6
152.10710	0.5
152.14319	2.5
152.56345	0.5
153.06624	1.9
153.10181	1.0
155.04581	0.6
155.08150	4.0
155.11772	5.4
157.04924	0.6
157.06061	1.7
157.09793	4.2
157.13351	1.1
158.09554	2.0
159.02863	3.0
159.07686	1.2
159.11626	10.8
160.07564	0.8
161.13217	11.3
162.09148	0.6
162.13641	0.6
163.14772	6.3
164.07312	0.4
164.09109	1.0
165.06630	0.5
165.10182	0.6
167.08156	2.2
167.11758	2.2
169.06122	0.6
169.09680	6.2
169.13354	4.2
171.07663	0.8
171.11519	3.1
172.12561	0.5
173.05566	2.6
173.09135	1.9
173.13206	6.9
175.14807	7.8
176.10677	2.6
177.16350	13.4
178.13361	0.8
179.17955	0.9
181.06100	4.0
181.09698	2.1
182.12936	1.0
183.07724	0.6
183.11298	3.2
183.14906	0.7
184.07214	2.3
184.10928	0.7
185.05565	1.8
185.09143	6.5
185.12976	2.8
185.53825	0.6
186.09111	2.5
186.12474	2.4
187.07162	1.1
187.10837	1.1
187.14764	7.2
189.08702	0.7
189.16339	12.6
190.16676	0.6
191.17909	13.5
192.07613	0.7
193.09767	0.8
195.07791	1.4
195.11259	2.5
197.12883	2.7
197.16464	0.7
198.08806	0.6
199.07036	2.2
199.14746	2.6
200.13896	1.0
201.08765	0.8
201.12337	1.8
201.16345	12.8
202.16589	0.7
203.11807	0.8
203.17929	16.2
204.18272	0.8
205.19490	3.7
207.14883	0.6
207.17484	0.7
208.10905	0.5
209.05513	0.5
210.08778	0.5
210.12396	0.7
211.10687	0.7
212.10219	1.9
212.13982	0.8
213.08746	6.5
213.12262	0.6
213.16302	3.3
214.08835	0.8
215.17912	6.7
216.06584	0.5
217.08409	3.3
217.19489	12.9
218.19920	0.5
219.15030	0.5
219.21120	1.1
221.12811	6.5
222.12425	0.8
223.10780	2.9
224.17619	1.1
225.07501	4.0
225.16127	0.6
226.08112	0.9
226.11824	1.1
226.15405	0.6
227.06662	1.1
227.11699	0.6
227.17804	3.8
228.13423	1.0
229.11719	0.7
229.19432	9.2
230.07672	1.9
231.11241	2.2
231.14806	0.7
231.21046	4.5
232.11023	0.5
233.09088	0.6
238.08247	0.6
238.11911	0.9
240.13367	2.3
241.19392	2.4
243.08644	3.9
243.20955	3.9
245.07639	1.9
245.22618	1.9
249.12315	2.3
251.10243	2.2
252.13461	3.3
255.21025	3.3
256.09317	0.6
256.12656	0.7
257.22528	4.7
261.09653	0.8
268.16559	1.9
269.22653	6.1
270.10898	0.7
270.14511	1.1
271.24118	2.3
273.05954	1.1
279.10660	7.4
283.13708	0.5
283.24225	2.0
291.07172	1.1
296.12448	1.1
297.15665	0.9
297.19049	0.5
297.25809	1.7
298.13962	2.0
304.16595	0.6
305.08655	3.2
309.08038	1.1
314.13364	0.8
320.12369	0.9
323.09747	1.1
323.17029	0.5
323.27228	0.6
339.20190	0.5
344.19727	0.6
365.31891	0.6
372.18558	1.9
387.20291	0.7
400.18524	0.5
405.21472	0.7
407.36639	93.5
408.36926	9.3
423.36072	2.7
424.36618	0.9
425.37726	5.5
508.20282	0.8
551.40900	1.1
601.40808	1.0
781.38293	0.6
1035.54688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03333	0.1
83.06013	0.1
84.04429	0.5
84.08067	1.0
85.02841	0.6
86.09624	0.2
86.89323	0.1
88.03880	0.1
89.03825	0.3
91.05401	1.3
93.04463	0.1
93.06950	0.1
95.01204	0.1
95.04894	0.1
97.02249	0.1
97.02811	0.6
99.04382	0.5
102.05463	0.1
103.03859	0.3
105.06953	0.1
107.04876	0.2
109.02824	0.4
109.10100	0.1
110.07117	1.0
111.00727	0.2
117.03326	0.8
119.04916	0.6
121.02782	0.3
127.03873	6.6
128.04214	1.1
129.04362	0.1
129.10182	0.5
131.04863	0.2
131.08545	0.1
133.02780	0.1
135.04439	0.1
136.07568	0.1
136.08585	0.1
137.02344	0.1
137.09628	0.1
141.06932	0.3
145.02824	2.7
145.04945	0.3
145.06392	0.1
147.04362	0.3
147.08060	0.2
149.01160	0.1
149.02321	2.2
149.05928	0.3
153.01805	5.9
154.02065	0.1
159.04385	0.8
159.07974	0.1
160.39101	0.1
161.09471	0.1
165.01820	0.4
165.72514	0.1
169.06432	0.7
173.05902	0.1
175.07550	0.1
177.05420	2.0
178.05911	0.1
181.04909	0.8
181.06293	0.1
187.03773	0.3
187.07501	0.4
197.05948	1.0
200.04718	0.1
201.05417	0.1
215.06995	5.4
216.07283	0.1
219.06712	0.1
225.05472	0.5
227.06886	0.1
243.06474	4.2
244.06831	0.2
247.06030	0.1
253.04932	1.8
255.06506	0.1
271.05954	100.0
272.06265	3.8
272.09180	0.1
308.67331	0.1
433.11209	3.7
434.11951	0.1
605.92377	0.1
621.69446	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	1041.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08073	38.8
73.02843	4.9
73.08389	1.0
74.05986	4.1
75.04385	4.3
79.05401	9.8
81.03329	1.3
81.04457	0.8
81.06976	29.1
82.06466	1.6
83.04904	12.5
83.06021	6.4
83.08543	5.3
84.04433	14.7
84.08069	83.8
85.02830	67.6
85.04754	0.8
85.08418	5.2
86.09630	35.4
87.04410	0.8
87.05528	7.8
87.09953	1.5
88.03893	3.8
91.03870	3.5
91.05402	23.1
92.05737	0.7
93.04446	2.7
93.06972	26.3
93.27367	0.8
95.01257	17.7
95.04892	3.8
95.06023	1.5
95.08533	59.6
96.04392	0.7
96.08059	0.9
96.08827	0.6
97.02831	9.7
97.10091	3.2
98.05948	1.0
98.09624	1.5
99.00745	1.0
99.04427	0.7
99.05485	1.4
101.07066	4.3
102.05479	5.1
103.03893	1.2
103.05376	5.8
105.06980	30.2
107.04903	1.3
107.08542	42.2
107.51608	0.6
109.02811	3.9
109.06438	3.6
109.10107	52.4
110.07118	29.6
110.09634	2.8
111.04398	7.8
111.05501	0.7
111.08041	4.8
111.09180	1.2
111.11669	2.7
112.07526	1.2
112.08662	2.5
112.11207	0.6
113.02282	2.8
113.07069	0.7
115.05000	3.4
115.08617	2.8
117.06946	3.9
119.04910	5.9
119.08540	35.3
120.08061	53.2
121.08369	4.2
121.10097	32.9
122.05917	0.6
123.11658	17.9
125.07067	0.8
126.05508	1.4
127.03873	4.5
127.04961	3.1
127.08642	3.2
128.10706	0.8
129.05435	12.3
129.06435	1.0
129.06808	0.8
129.10204	52.0
130.04958	1.0
130.07707	0.7
130.10551	2.8
131.03314	1.2
131.08543	8.8
133.06108	0.9
133.10103	36.6
135.11667	23.8
136.07564	34.8
136.08565	1.7
137.07915	1.5
137.13226	4.5
138.12714	0.9
139.04982	1.1
139.08656	1.3
139.11194	2.6
140.07074	0.9
141.01810	36.7
141.02919	1.3
141.06595	3.7
141.10208	6.5
143.08488	3.4
143.11761	3.3
145.04922	3.1
145.06013	1.0
145.10100	18.5
146.05872	0.8
147.06482	6.4
147.11673	25.4
149.13249	21.8
151.08603	1.2
151.11183	2.5
152.14340	1.1
153.06551	0.9
153.10208	1.0
155.08141	4.3
155.11772	4.1
157.10112	4.8
159.02844	4.0
159.07634	1.1
159.11662	20.9
161.13220	22.9
162.08969	1.0
163.05974	5.1
163.14775	9.0
165.12660	2.3
167.08063	2.5
167.11829	2.5
168.11330	0.7
169.09712	6.3
169.13330	4.0
171.07632	1.6
171.11653	5.4
173.05565	1.5
173.09280	1.2
173.13239	14.8
175.14812	17.0
176.10664	1.1
177.03943	0.8
177.10202	0.9
177.16347	12.0
178.08560	0.8
178.13379	0.9
181.06035	3.4
181.09615	1.0
183.11360	1.6
183.14894	1.3
184.07306	1.0
185.09200	6.1
185.13057	6.2
186.09076	1.1
186.12466	1.3
187.10805	0.8
187.14795	11.3
189.14738	1.2
189.16344	19.6
191.17905	7.8
193.15794	3.0
195.07599	1.0
195.11247	0.8
195.17259	1.1
197.12883	3.3
197.16490	1.1
199.07114	1.0
199.14775	5.2
201.12341	0.9
201.16339	14.6
202.16838	0.8
203.11841	0.9
203.17924	22.0
205.15828	4.5
205.19511	4.0
207.17410	9.0
209.05409	0.8
209.13020	0.8
211.14664	0.8
212.06790	0.7
212.10254	1.4
213.08733	5.1
213.16304	4.6
215.17908	11.8
217.08144	2.9
217.15979	4.9
217.19485	18.1
219.17358	4.7
221.12799	6.1
221.18874	0.7
223.10751	3.4
224.17560	0.7
225.16324	0.7
227.17914	8.9
228.13411	0.9
229.11815	1.1
229.19470	15.1
230.07632	1.0
231.11302	0.7
231.17381	1.3
231.21043	1.2
233.18930	2.4
235.11758	0.9
239.17854	0.8
240.13368	0.9
241.19431	3.8
241.88873	0.7
243.20982	5.9
245.18840	1.1
245.22646	0.8
249.12347	2.7
251.10109	0.8
251.14972	0.7
252.13367	3.3
253.19380	1.1
255.21016	7.0
257.22516	4.4
259.20514	0.9
267.21063	1.3
269.22644	6.5
270.14389	0.9
271.24088	2.9
281.22711	1.1
283.23993	0.9
285.22122	1.0
287.07529	1.3
295.24176	2.5
296.12415	1.0
297.25812	1.3
305.08612	2.9
313.25354	1.1
341.17511	0.7
345.20554	0.9
365.31976	8.0
372.18735	1.0
387.20071	0.7
393.35129	1.5
405.29886	1.0
405.35126	21.1
406.35373	0.9
421.13568	0.9
423.36145	100.0
424.36554	8.3
441.37009	5.1
521.35968	3.2
539.36993	4.9
581.38440	13.1
599.39490	5.1
753.37836	0.7
777.36780	0.8
909.30853	1.0
1061.57019	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02831	8.3
74.05992	1.7
75.04389	2.1
79.05404	6.6
81.03336	0.7
81.06975	22.3
82.06501	0.4
82.07341	0.4
83.04433	0.5
83.04905	10.2
83.06026	1.5
83.08537	4.8
84.04433	7.4
84.08069	31.0
85.02830	40.7
85.06464	0.5
85.08414	1.9
86.05995	0.4
86.09630	13.1
87.04374	1.3
87.05521	3.1
88.03907	1.8
89.02292	0.5
91.05409	11.3
93.04459	0.5
93.06976	18.6
95.01260	12.8
95.04895	2.8
95.06070	0.4
95.08537	47.0
97.02824	10.6
97.06464	0.5
97.10110	2.8
98.02339	0.3
98.09613	0.5
99.00755	1.6
99.04385	1.6
99.46757	0.3
101.02333	0.5
101.07093	1.3
101.10717	0.4
102.05458	2.6
103.03893	1.8
103.05393	2.4
105.06980	19.7
107.04930	0.7
107.08543	32.1
109.02801	0.6
109.06468	1.8
109.10111	31.4
110.07118	6.3
110.09631	0.7
111.04392	7.1
111.05514	0.3
111.08038	4.3
111.09151	0.6
111.11682	2.1
112.07576	0.4
113.02310	2.9
113.05910	0.4
115.03889	5.8
115.08636	1.2
117.06997	2.7
118.06480	0.3
119.04875	1.5
119.08540	26.4
120.08063	18.5
120.08920	0.7
121.08395	1.3
121.10103	24.3
122.10394	0.4
123.08054	1.2
123.09103	0.3
123.11666	12.6
123.21441	0.3
125.02283	0.4
127.03889	1.8
127.04961	0.6
127.08612	0.6
129.05464	7.1
129.06461	0.7
129.06790	0.6
129.10207	17.1
130.04974	0.3
130.10590	0.7
131.03369	1.8
131.08546	7.4
133.04929	1.5
133.06029	0.5
133.10100	24.4
134.10454	0.4
135.10646	0.6
135.11670	17.7
136.07581	10.0
136.08546	0.5
137.13251	3.8
139.03937	1.3
139.08664	0.5
139.11162	1.8
141.01811	32.8
141.06715	0.4
141.10185	2.3
142.07771	0.5
143.08540	3.4
143.11794	0.7
144.09326	0.6
145.10109	13.5
146.10864	0.3
147.06508	3.0
147.11678	19.7
148.11989	0.4
149.13248	14.8
151.03922	0.3
151.11145	1.2
151.14790	0.4
152.14296	0.4
153.10213	0.4
155.08231	2.0
155.11792	1.5
157.04967	1.2
157.10149	4.5
157.13416	0.5
159.02867	4.5
159.07657	0.7
159.11667	17.0
160.12337	0.5
161.13228	18.9
163.11142	0.4
163.14803	10.4
165.12758	0.6
167.08199	0.6
169.09891	2.0
169.13319	1.3
171.11668	4.2
173.05597	0.5
173.13226	13.3
175.14789	13.6
175.16283	0.5
176.10724	0.6
177.03992	0.6
177.16347	12.1
178.13307	0.3
179.14249	0.4
179.17987	1.5
181.06154	0.4
183.11565	1.8
183.14838	0.4
183.95218	0.3
184.07217	0.5
185.09186	1.6
185.13179	4.1
186.09189	0.4
186.12389	0.5
187.14799	11.0
189.16354	14.5
191.14299	0.6
191.17929	6.3
193.15869	0.7
195.07736	0.5
195.11324	0.6
195.17316	0.5
197.13177	1.9
199.14810	5.0
200.15598	0.4
201.16360	17.5
202.16666	0.4
203.17931	18.7
205.15903	4.1
205.19510	2.9
207.17455	2.7
211.14781	1.5
212.06786	0.3
212.10310	0.4
213.08676	1.5
213.16345	6.1
214.17073	0.4
215.17918	9.1
216.18362	0.5
217.08496	0.4
217.15977	3.4
217.19487	11.8
219.17433	2.8
219.21007	0.7
221.12865	1.4
223.10762	0.6
223.14684	0.4
225.07483	2.5
225.16406	1.5
226.08162	0.3
227.17923	6.4
229.19482	8.7
231.17438	1.2
231.21082	1.8
233.18912	0.6
239.15848	0.3
239.18045	1.6
240.13557	0.5
241.19470	5.0
243.08606	1.5
243.21036	6.7
244.09282	0.4
245.19031	1.4
245.22516	0.8
249.12326	0.8
252.13487	0.5
253.19513	1.9
255.21060	6.7
257.22583	5.1
259.20364	1.2
265.19592	0.4
267.21045	2.1
269.22537	5.8
271.20663	0.4
271.24130	1.4
273.06027	0.5
279.10852	2.9
281.22592	1.5
283.24231	2.7
285.22375	0.6
285.25616	0.4
287.07489	0.6
287.23547	0.4
291.07315	0.5
295.24127	2.1
297.25800	1.4
305.08624	2.6
309.25797	0.7
311.27426	0.6
313.25189	1.4
314.13364	0.5
323.09811	0.4
349.28845	0.4
363.30270	0.5
365.32001	7.1
367.29938	0.4
393.35153	0.5
405.35062	22.5
406.35443	0.7
407.36627	0.5
421.34555	1.3
423.36154	100.0
424.36444	7.4
441.37134	2.5
493.36737	0.5
510.23611	0.4
511.37726	4.2
551.40839	0.4
581.38257	12.5
582.38550	0.6
599.39294	9.6
772.57928	0.4
998.09509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02834	4.0
74.06023	0.3
75.04389	2.2
79.05412	5.9
80.06240	0.2
80.34153	0.3
81.03324	1.5
81.06978	21.9
83.04907	8.4
83.06028	0.4
83.08544	4.9
84.04427	1.5
84.08069	9.1
85.02831	53.0
85.06435	0.3
86.09637	3.5
87.04379	0.7
87.05508	1.2
88.03908	0.3
89.02311	0.4
91.03889	4.0
91.05405	8.9
93.06976	17.9
94.07320	0.4
95.01263	13.1
95.04895	1.8
95.08535	45.5
96.08907	0.3
97.02829	6.9
97.06474	0.3
97.10104	3.7
99.00744	1.5
99.04356	0.6
101.02306	0.5
101.05949	0.3
102.05492	0.6
103.03899	3.0
103.05383	0.5
105.06981	20.0
107.08541	30.6
108.08883	0.4
109.02816	1.1
109.06455	1.7
109.10108	29.4
110.07123	2.2
111.04407	5.9
111.08033	4.3
111.11665	1.2
113.02300	2.8
113.06062	0.3
117.06954	2.1
119.04881	0.4
119.08544	26.7
120.08054	4.7
120.08815	0.4
121.10102	26.4
123.00719	0.5
123.08081	0.4
123.11665	12.0
124.12110	0.3
125.09635	0.3
125.67550	0.3
127.03886	3.3
127.04842	0.4
127.08627	0.3
128.06140	0.4
129.05450	8.0
129.06963	1.0
129.10204	5.9
130.10555	0.3
131.03398	1.5
131.08525	7.4
131.09436	0.4
133.10101	24.1
134.10469	0.5
135.10818	0.3
135.11664	19.3
136.07600	2.6
137.13239	3.7
139.11183	2.2
141.01808	31.7
142.02042	0.3
142.07756	0.4
143.08575	3.7
144.09354	1.0
145.04941	2.8
145.10112	13.0
147.06503	4.2
147.11674	22.0
148.12018	0.3
149.13240	14.0
151.03885	0.3
151.11157	0.7
151.14815	0.7
156.09380	0.4
157.04961	0.5
157.10106	5.5
158.10887	0.4
159.02888	4.7
159.11667	16.5
160.12498	0.3
161.09604	0.3
161.13229	18.3
162.13589	0.4
163.05962	2.8
163.14786	10.5
165.12726	0.4
165.16344	0.3
167.08157	0.3
169.10046	1.5
169.13240	0.3
170.10849	0.3
171.11655	5.4
172.12411	0.7
173.13226	14.5
175.14787	12.7
177.03938	1.2
177.12718	0.4
177.16356	12.6
179.14308	0.3
179.17915	2.3
183.11653	0.6
185.13203	4.8
186.13889	0.3
187.14796	10.9
189.16362	12.5
191.14297	0.5
191.17932	6.5
193.15865	1.3
195.17316	0.4
197.13152	2.5
199.14793	5.7
200.15439	0.5
201.16367	18.6
203.17924	18.2
204.18370	0.3
205.15825	3.6
205.19456	2.9
207.17395	1.6
211.14798	1.5
213.16360	4.6
214.17079	0.3
215.17938	9.1
217.16000	2.6
217.19473	11.3
219.17462	2.8
219.20882	0.9
221.12746	0.4
223.14755	0.3
225.16397	1.2
226.16959	0.4
227.17941	7.0
229.19475	8.2
231.17427	1.2
231.21062	2.0
233.18976	1.3
237.16304	0.4
239.17879	1.5
241.19482	3.7
243.21060	9.2
245.18915	1.9
245.22636	1.1
247.20639	0.5
251.18256	0.3
253.19505	1.7
255.08591	0.3
255.21054	8.1
257.22592	5.1
259.20535	1.5
259.24326	0.3
261.22116	1.3
267.21021	2.1
269.06528	0.6
269.22568	6.1
270.23184	0.4
271.20590	0.4
271.24176	1.6
273.09753	0.4
273.22107	0.3
281.22626	1.4
283.24161	2.2
285.06412	0.3
285.22226	0.5
285.25772	0.5
287.07571	0.6
295.23956	2.2
297.25745	1.1
299.23666	0.3
305.08673	2.5
309.11749	0.7
309.25656	0.4
311.27277	1.3
313.25171	0.7
321.08371	0.5
323.09790	0.6
323.27328	0.4
335.27188	0.4
339.09369	0.4
363.30585	0.5
365.32059	7.0
367.29715	0.4
381.31516	0.5
405.35117	26.2
406.35449	1.1
421.34732	2.1
423.36163	100.0
424.36545	5.6
441.37381	3.8
493.36560	1.1
511.37732	5.2
551.40985	0.4
581.38348	11.3
599.39355	10.7
599.48859	0.4
669.39795	0.4
1045.37146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02820	3.4
73.08424	0.5
74.05992	1.5
74.74937	0.3
75.04395	1.6
79.05014	0.5
79.05421	5.9
79.61644	0.3
81.03345	0.7
81.06509	0.6
81.06982	18.3
83.01263	0.5
83.04906	8.0
83.06023	1.5
83.08535	4.7
84.04436	5.2
84.08071	28.6
85.02833	43.0
85.08396	2.0
86.09142	0.6
86.09634	12.0
87.04380	0.6
87.05528	1.9
88.03926	1.6
89.02351	0.4
91.03889	2.6
91.05405	9.7
93.06979	16.0
95.01267	11.3
95.04904	2.5
95.08540	35.2
97.02827	5.4
97.06455	0.5
97.10103	2.4
98.02344	0.7
99.04365	0.5
99.05481	0.4
101.07085	1.7
101.10694	0.4
102.05481	1.7
103.03889	2.5
103.05411	2.0
105.06980	19.2
107.04906	0.9
107.08544	26.2
109.02826	0.9
109.06435	0.6
109.10113	28.2
110.07128	5.5
110.09644	0.5
111.04389	5.5
111.08044	3.9
111.09153	0.6
111.11683	0.7
112.07515	0.5
112.08662	0.6
113.02333	1.9
114.36142	0.4
115.05019	1.5
115.75159	0.4
117.06988	1.6
119.04894	0.7
119.08540	22.4
120.08061	14.1
121.08379	1.6
121.10110	19.6
123.07978	0.4
123.11662	10.2
125.09585	0.4
127.03885	2.4
127.04932	0.8
129.05463	8.1
129.06454	0.6
129.06871	0.5
129.10205	16.1
130.10574	1.5
131.03377	0.6
131.08557	5.7
133.10106	19.9
135.11668	14.2
135.12675	0.6
136.07564	8.7
137.07951	0.5
137.13252	3.4
139.05096	0.4
139.08675	0.7
139.11156	0.9
141.01817	25.1
141.06523	0.5
141.10219	2.6
142.07796	0.5
143.08624	2.9
143.11818	0.5
144.09381	0.5
145.04958	2.1
145.10114	12.4
147.06514	3.5
147.11682	16.3
149.13239	12.5
151.11244	0.5
151.14841	0.8
155.04597	0.4
155.08322	0.8
155.11769	1.6
157.06099	0.5
157.10074	3.8
159.02873	3.3
159.11674	14.7
161.13232	15.5
163.05984	2.6
163.11197	0.5
163.14787	9.2
165.12740	0.7
169.09882	0.8
169.13319	0.9
170.46652	0.4
171.11667	4.0
172.12511	0.8
173.05618	0.6
173.13245	10.1
175.14793	11.7
176.10588	0.4
177.03975	0.5
177.12721	0.6
177.16360	11.0
179.14261	0.5
179.17961	1.7
183.11552	1.7
184.07254	0.5
185.09288	1.6
185.13177	3.9
186.09247	0.5
186.12437	0.5
187.14809	8.9
189.16360	13.4
191.14240	0.5
191.17934	5.1
193.15874	0.8
197.13176	1.7
199.14763	4.7
201.16373	14.1
203.17929	17.4
205.15854	4.8
205.19504	2.8
207.11363	0.5
207.17407	1.8
211.14842	0.7
213.08698	1.6
213.16374	4.3
215.17929	6.5
217.15900	2.5
217.19492	11.5
219.17499	3.1
219.21132	0.7
221.12856	1.8
221.19029	0.6
223.10905	0.6
225.16386	0.6
227.18010	4.4
228.18625	0.4
229.19492	6.6
231.17259	0.6
231.21036	1.8
233.19002	1.4
239.17833	1.5
240.13377	0.8
241.19473	4.2
243.21016	6.7
244.09392	0.7
245.19037	1.5
245.22580	0.6
249.12296	0.4
252.13441	0.5
253.19464	0.5
255.21053	5.0
257.22589	5.5
267.21091	1.6
269.22607	4.9
271.20605	0.5
271.24246	2.0
272.64523	0.5
281.22644	0.9
283.24243	1.9
287.07602	0.8
295.24176	1.8
296.12317	0.7
297.25748	0.7
305.08627	2.1
309.11847	0.6
313.25400	0.7
323.09778	0.8
349.28845	0.5
363.30792	0.5
365.31888	5.7
405.35107	22.5
406.35477	0.6
421.34711	0.9
423.36169	100.0
424.36557	4.6
428.90009	0.4
441.37128	4.4
493.36349	0.4
511.37753	1.4
581.38318	11.4
599.30054	0.4
599.39307	12.1
688.12079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02821	0.3
85.02823	2.0
97.02838	0.4
108.08717	0.3
127.03027	0.3
127.03895	1.6
145.05020	0.7
148.08916	0.4
158.99728	0.3
167.27286	0.3
191.03864	0.6
202.89076	0.4
245.05127	1.4
247.04897	0.5
354.60657	0.5
355.10907	0.5
362.10004	1.8
362.59802	0.7
381.07858	0.6
475.94077	0.3
479.99384	0.3
543.13165	11.5
561.65826	0.3
583.04803	0.4
705.18353	100.0
706.18701	5.0
970.25037	0.3
1061.06323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.091
Annotation	2-Methyl-1,3-butanediol
Peak:m/z	Relative Intensity
52.66826	0.1
53.00248	2.6
53.03880	1.7
55.01813	0.3
56.96502	1.7
57.07005	0.3
58.06528	0.3
59.06877	0.6
60.04454	2.3
60.08097	3.8
60.95787	1.2
61.07796	0.4
61.08428	5.5
61.08739	0.2
64.95478	0.7
67.05424	1.8
67.93481	0.2
69.03350	0.8
69.06987	100.0
70.03680	0.5
70.07315	1.0
72.02763	0.2
72.52879	0.2
73.03047	0.2
73.95631	0.1
79.05396	0.2
80.51012	0.2
81.03304	0.2
81.53406	0.9
82.51528	0.2
82.53283	0.2
84.01485	1.2
87.04382	0.8
87.06320	0.7
87.08031	6.7
88.03928	0.2
88.04732	2.2
90.01939	0.2
91.48112	0.2
91.52038	1.1
92.01775	0.2
93.02004	2.7
95.04895	7.3
100.02390	0.6
100.48634	0.2
100.52536	0.4
103.05450	0.2
103.92785	0.1
104.10667	0.2
105.03339	6.3
105.04430	2.9
105.06942	1.6
105.10403	3.5
105.11012	50.3
118.03445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.588
Annotation	Unknow
Peak:m/z	Relative Intensity
73.06455	0.1
73.47428	0.1
74.05989	0.2
79.04957	0.2
79.05409	6.9
81.03317	0.1
81.06974	26.0
82.07299	0.2
83.04884	0.9
83.06036	0.2
83.08539	8.1
84.04437	1.2
84.08064	3.6
85.06470	0.7
85.08389	0.1
85.10102	0.2
86.09629	3.1
87.05513	0.2
88.03901	0.2
91.05402	5.4
91.05944	0.2
93.06970	7.5
95.04908	1.0
95.08533	20.9
96.08875	0.5
97.06460	1.9
97.10099	4.3
98.05984	0.7
98.98399	0.7
99.08023	0.5
103.05410	0.5
105.06977	3.6
107.08540	3.9
109.06528	0.2
109.10104	8.3
110.07098	0.9
111.08035	1.1
111.11647	0.9
112.08701	0.2
113.09565	0.2
115.08610	0.3
117.07024	0.1
119.08543	3.0
120.08072	2.6
121.08409	0.2
121.10083	3.4
123.08054	0.5
123.11649	3.8
124.01563	0.7
125.09583	0.5
129.10207	2.0
130.10559	0.1
131.08493	0.2
133.10100	3.4
135.11652	1.8
136.07532	0.3
137.09572	0.3
137.13225	1.1
139.11151	0.2
140.64604	0.1
147.11674	1.9
149.13222	1.1
151.11133	0.5
151.14793	0.5
153.12735	0.2
161.13235	1.5
163.14783	0.8
165.16367	0.2
173.12955	0.1
175.14783	1.2
177.16379	0.2
183.14862	0.2
184.07271	0.8
198.05273	0.2
216.06310	0.7
245.22496	0.3
257.16562	0.1
263.23550	1.1
264.24344	0.1
268.58636	0.1
306.27881	2.6
307.28549	0.2
313.27216	0.2
313.67075	0.1
337.27301	100.0
338.27600	4.4
460.28156	0.9
478.29175	6.9
479.29276	0.2
622.96796	0.1
1002.91309	0.2
1043.03674	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	1051.234
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04435	0.5
84.08076	0.6
89.03841	0.1
91.05394	0.6
93.03336	0.1
97.02845	0.1
102.05514	0.1
107.01286	0.4
107.04970	0.1
108.66477	0.1
110.07115	0.4
115.05431	0.2
115.08686	0.1
118.04143	0.3
119.04935	0.4
121.02806	0.2
124.37064	0.1
125.02357	0.2
129.10161	0.2
133.02826	0.2
136.07559	0.4
137.02188	0.1
139.03874	0.2
141.06982	1.3
145.02818	1.7
145.06538	0.1
147.04434	0.2
149.02390	0.1
151.03847	0.1
152.01015	0.4
153.01819	2.6
155.04942	0.1
167.03410	0.7
168.05679	0.4
169.06450	4.4
185.05940	0.1
187.07414	0.1
196.05194	0.4
196.98157	0.1
197.05945	6.2
198.06575	0.1
207.06606	0.2
214.06224	0.5
215.07011	6.9
216.07393	0.1
225.05429	4.8
226.06097	0.1
227.07019	0.1
229.08556	2.2
242.05681	3.5
243.06467	2.1
253.04880	1.6
254.05772	0.2
255.06369	0.2
257.07968	0.4
270.02103	0.2
270.05173	11.9
271.05960	100.0
272.06290	2.6
285.07520	64.5
286.07864	1.6
519.11249	3.4
520.11578	0.1
533.12500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02828	5.9
75.04388	1.6
78.93391	1.2
79.05424	9.9
79.05807	1.1
81.06973	24.1
83.04885	6.3
83.08543	3.1
84.04426	3.1
84.08065	10.0
85.02827	38.5
86.09631	6.9
87.05538	1.3
88.48280	1.1
91.03856	1.4
91.05419	12.0
92.10249	3.6
93.06968	23.8
95.01250	17.6
95.04892	2.0
95.08529	58.8
97.02832	9.7
97.10128	2.7
99.04337	1.5
101.02331	3.1
103.05398	1.6
105.06972	35.9
107.08533	44.7
108.14998	1.2
109.06470	1.6
109.10113	40.1
110.07133	2.4
111.04407	2.3
111.08028	3.0
113.02310	2.2
115.88371	1.2
117.06964	2.2
119.04895	1.4
119.08530	42.0
119.55582	1.2
120.08069	7.3
121.10091	30.2
123.11662	15.6
127.03875	17.4
129.05452	2.7
129.10220	5.0
131.03372	3.0
131.08531	7.4
133.10091	37.6
135.11659	23.1
137.13235	5.7
141.01799	30.7
143.08571	1.7
144.09344	1.2
145.04970	2.3
145.10098	20.8
147.11661	24.7
149.13254	16.9
157.10115	6.8
159.11661	19.6
161.13213	24.7
163.14804	8.2
165.12677	1.9
171.11568	2.7
173.13248	10.5
175.14758	17.3
177.03766	1.3
177.16325	13.7
185.13271	2.8
187.14777	13.0
189.16351	22.1
191.17947	8.3
193.15817	2.5
197.13107	1.2
199.14812	5.7
201.16336	11.0
203.17947	25.1
205.15987	1.5
205.19481	1.6
207.17390	2.4
213.16356	6.1
215.17911	8.8
217.15796	1.8
217.19432	15.0
219.17317	2.1
227.17952	2.8
229.19441	11.7
231.17278	1.6
231.21109	1.5
243.21054	7.8
255.20995	5.4
257.22586	6.2
269.22760	2.2
311.27112	1.8
365.31921	6.6
395.94379	1.3
405.35001	20.6
423.36115	100.0
424.36154	2.3
441.37112	7.8
542.01917	1.7
553.38513	1.5
567.40192	2.3
581.38489	9.9
599.38995	10.6
659.23676	1.4
838.80719	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02834	11.7
75.04413	4.3
79.05405	9.8
81.03337	1.0
81.06980	24.1
83.04885	1.2
83.08545	5.5
84.04412	0.7
84.08073	2.4
85.02831	37.7
86.09628	1.0
87.04427	0.6
88.92766	0.6
91.03881	7.9
91.05404	11.2
92.10865	0.5
93.06973	22.1
95.01252	15.9
95.04828	0.8
95.08537	58.2
96.08864	0.6
97.02827	19.4
97.06462	1.0
97.10088	3.9
99.04378	1.0
101.02320	32.2
103.03214	0.6
103.03893	2.1
103.05424	0.7
105.06261	1.1
105.06978	25.2
107.08543	35.8
108.08859	0.7
109.02825	1.0
109.06454	0.8
109.10112	38.0
110.08265	0.5
111.08028	5.4
111.11673	3.1
113.02312	0.9
115.03898	5.8
117.06940	2.2
118.65863	0.6
119.08539	32.6
120.08029	0.9
120.08840	0.7
121.10101	30.7
122.10381	0.6
123.11663	16.5
127.03879	58.2
129.06926	0.9
131.03400	2.4
131.08545	7.3
133.04919	0.9
133.10101	28.9
134.10445	0.7
135.11671	19.0
136.07527	0.7
137.13226	4.9
139.11195	2.1
141.01811	34.6
142.02068	0.9
143.08545	3.2
144.09213	0.8
145.04944	35.6
145.10095	18.2
147.11673	26.0
147.12581	0.6
148.11992	1.0
149.13234	16.6
151.11150	1.0
157.10083	5.4
158.10922	0.7
159.02837	2.4
159.11668	19.4
161.13234	19.7
163.06026	4.8
163.14769	11.6
165.12830	0.9
165.16380	0.7
169.09926	0.6
171.11667	6.0
173.13246	13.9
175.14795	13.1
177.03995	1.0
177.16351	11.1
179.17912	1.1
183.11668	0.7
185.13220	5.8
187.14772	13.4
189.16339	15.0
191.17889	6.4
193.15828	0.8
197.13194	2.2
199.14832	5.7
201.16376	23.3
203.17924	19.9
204.18315	0.8
205.15823	5.4
205.19510	3.9
207.17418	2.3
211.14766	1.2
213.16382	5.6
215.17929	11.7
217.15929	3.4
217.19484	13.1
219.17432	2.9
219.20924	0.7
225.16348	0.6
227.17929	7.4
229.19507	9.2
230.19901	0.6
231.17348	0.8
231.21021	2.6
233.18861	1.0
239.17941	1.0
241.19476	3.9
243.20972	6.7
245.19014	1.4
253.19429	0.8
255.21060	6.9
257.22653	5.7
259.20526	0.8
267.21118	1.3
269.22571	5.0
270.23154	0.6
271.24109	1.0
281.22540	1.0
283.24191	3.4
295.24139	1.2
297.25629	1.1
313.25110	0.7
323.27209	0.9
335.27316	1.2
349.28711	0.8
365.31970	6.3
405.29886	1.0
405.35059	25.6
406.35287	3.1
407.36176	0.7
423.36142	100.0
424.36459	11.1
441.36917	2.6
540.49835	0.7
549.38654	1.2
567.40253	5.2
581.38226	11.3
582.38629	0.7
590.49408	0.6
599.39471	9.1
600.39569	0.7
725.42310	1.3
801.98816	0.7
1053.78931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02839	7.8
74.05994	9.1
74.09634	1.3
75.05548	1.3
79.05410	8.9
81.03312	1.5
81.06975	22.6
82.06499	1.8
83.04918	12.4
83.06034	6.7
83.08549	2.8
83.19524	1.1
84.04433	45.4
84.08073	100.0
84.97964	1.2
85.02833	43.6
85.03954	2.5
85.08397	2.6
86.06004	5.6
86.09637	69.3
87.05502	5.9
87.09978	1.6
88.03920	17.2
91.05408	16.9
92.05768	1.8
92.10793	1.9
93.06975	25.5
95.01272	11.4
95.04919	3.3
95.06049	1.7
95.08541	45.4
96.04443	1.9
96.08073	1.6
97.02842	23.6
97.03950	1.2
97.10112	3.0
99.04412	1.9
101.02357	1.6
101.07092	8.6
102.05488	15.7
103.05359	9.6
104.05270	6.0
105.06988	20.9
107.04932	1.8
107.08540	30.8
109.02823	2.6
109.06483	2.0
109.08471	1.4
109.10114	30.9
110.07129	27.0
111.04401	7.9
111.05560	1.7
111.08054	6.4
112.08705	5.8
113.10708	1.5
114.05531	5.5
115.03889	7.2
115.08629	5.8
117.06995	1.2
119.04915	2.9
119.08537	26.4
120.08066	82.0
121.08414	6.5
121.10109	28.8
123.11655	9.9
127.03882	10.0
127.04951	4.7
127.08655	1.9
129.05457	7.2
129.06531	5.8
129.10214	44.9
130.04956	2.3
130.08656	2.6
130.10593	2.6
131.08537	9.3
132.08052	1.7
133.06085	5.9
133.10115	24.3
135.11661	17.9
136.03970	2.5
136.07590	18.5
138.09074	2.6
139.05034	2.6
139.08659	1.5
141.01810	17.7
141.06615	2.7
141.10201	3.2
143.03404	3.4
143.08427	3.1
145.04958	2.1
145.06059	2.0
145.10120	15.2
147.11690	21.2
149.13255	14.0
153.06635	1.6
155.08122	2.7
155.11768	3.4
157.10031	6.6
159.02843	1.6
159.07648	3.4
159.11667	14.2
161.13225	13.8
163.14763	7.5
167.08104	6.0
169.09807	2.1
169.13306	2.7
171.07643	2.5
171.11572	6.5
173.13136	9.2
175.14774	14.4
177.10236	2.0
177.16397	7.5
181.06107	2.2
183.11311	5.8
183.14867	1.4
184.07309	3.1
185.09312	1.8
185.13055	2.0
187.14821	8.2
189.16367	9.9
191.18007	6.7
197.12918	3.3
199.07150	2.2
199.10730	2.7
199.14810	2.9
201.08740	1.7
201.16324	9.8
203.17949	9.9
205.15857	2.7
213.08755	2.4
213.16440	1.8
215.17937	8.1
217.08185	2.7
217.13419	2.1
217.19563	9.4
219.17447	11.0
221.12769	1.8
226.08197	1.4
227.06693	1.8
227.17929	6.3
229.19473	10.4
231.11552	1.8
235.10617	1.3
241.13347	1.9
241.19482	1.9
243.08594	1.5
243.21025	3.2
244.09267	7.5
249.12239	2.3
255.20773	1.7
257.22610	2.4
269.22482	2.1
295.24341	1.7
365.31790	3.0
405.34991	11.5
421.34698	9.1
423.36188	44.5
429.21356	1.4
439.35583	8.8
441.37140	2.1
500.39865	1.5
581.38361	7.2
619.44196	1.6
678.40967	1.4
766.11206	1.6
875.61584	1.5
929.71100	1.9
989.09827	1.7
1071.38635	3.1
1076.08630	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1056.5725
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02808	6.9
75.04379	2.3
79.05393	6.0
81.06973	21.8
83.04897	9.9
83.08509	4.2
85.02826	49.2
87.04382	1.0
91.05389	5.9
93.06973	15.0
95.01260	7.8
95.04890	1.9
95.08531	40.7
97.02811	11.1
97.10068	1.2
99.04385	1.2
101.02318	21.3
103.03867	1.6
105.06979	18.3
107.08540	24.5
109.06394	1.4
109.09407	1.6
109.10111	28.7
111.04380	6.9
111.08015	4.0
113.05954	1.2
115.03852	4.5
117.06910	1.5
119.08553	23.2
121.10098	24.8
123.11670	10.3
127.03873	45.1
129.05394	5.9
131.03355	1.1
131.08510	7.0
133.04980	1.3
133.10095	20.1
135.11646	12.8
137.02271	1.1
137.13232	2.0
139.03873	1.6
141.01805	23.8
143.08525	2.5
145.04953	28.3
145.10094	11.0
147.06532	2.1
147.11667	16.0
149.13232	14.2
157.10158	3.7
159.02911	1.9
159.11670	17.4
161.13239	16.7
163.14751	11.0
171.11647	3.7
173.13226	11.6
175.14758	12.5
177.16368	12.1
185.13159	1.9
187.14790	7.8
189.16377	14.6
191.17929	6.1
193.15857	1.4
199.06026	1.2
199.14783	2.4
201.16335	20.9
203.17944	21.3
205.15906	3.7
205.19475	4.0
207.17404	2.0
213.16362	5.3
215.17886	8.9
217.15939	1.3
217.19496	12.4
219.04733	1.1
219.17314	1.3
225.07372	1.9
227.17900	5.9
229.19516	5.2
231.20973	3.6
241.19479	4.6
243.08537	1.2
243.21022	5.2
245.18935	1.8
253.19308	1.2
255.21068	6.7
257.22592	4.5
267.21011	1.1
269.22595	6.7
271.24210	1.7
278.44385	1.0
279.10593	1.7
281.22498	1.3
283.24158	2.5
295.23944	2.2
305.08463	1.1
365.31857	4.8
391.00562	1.1
405.35059	20.9
423.36163	100.0
424.36633	7.1
441.36969	4.7
549.38831	1.4
567.40411	16.3
581.38287	17.4
599.39014	6.4
611.04926	1.2
725.41797	5.0
1019.30865	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02831	9.9
74.05982	0.5
75.04393	8.0
79.05414	10.7
81.03326	3.4
81.06511	1.2
81.06976	31.9
81.24652	0.5
83.01264	0.8
83.04893	13.4
83.06013	2.3
83.08533	7.3
84.04429	4.3
84.08069	10.5
85.02827	53.3
86.09635	9.1
87.04410	0.6
87.05509	0.9
88.03931	0.8
91.05410	10.7
92.10344	0.9
93.04453	0.7
93.06972	27.6
95.01259	15.6
95.04903	4.6
95.05966	0.7
95.08533	64.2
97.02228	0.8
97.02824	15.2
97.06454	0.6
97.10086	4.8
98.05936	0.7
99.00761	0.9
99.04376	3.2
101.02318	1.2
101.05970	0.6
103.03872	4.9
103.05383	2.7
105.06269	1.2
105.06979	31.3
107.04945	0.6
107.08538	42.2
109.02835	7.5
109.06427	1.2
109.10110	45.9
110.07125	8.5
111.04394	8.6
111.08044	5.0
111.11655	2.8
112.08629	0.9
113.02313	2.8
115.03891	6.6
115.08676	0.9
117.06973	3.4
119.08540	36.0
119.60152	0.5
120.08073	18.5
120.08898	1.0
121.08341	2.2
121.10098	38.7
123.08008	0.7
123.11658	18.0
125.09591	0.8
127.03887	8.9
129.05450	8.0
129.06941	1.4
129.10196	4.6
131.03419	0.8
131.08527	9.6
133.04951	1.4
133.10100	37.1
135.04367	0.8
135.11664	26.9
135.67854	0.5
136.07550	1.3
136.12001	0.5
137.13257	4.9
139.03923	1.2
139.05188	0.6
139.11180	3.1
141.01811	31.9
141.02930	1.0
141.06639	0.6
141.76616	0.6
143.08560	3.8
144.09264	1.2
145.04901	3.7
145.10101	17.4
147.06514	1.1
147.11673	30.3
149.13252	18.5
150.13535	0.7
151.11131	1.0
151.14798	0.8
156.51228	0.6
157.04929	1.4
157.10040	7.0
159.02870	3.8
159.10425	1.2
159.11659	23.9
161.13235	25.4
161.97353	0.7
163.11087	0.8
163.14803	13.3
165.12703	1.1
169.04868	1.2
169.10074	2.1
171.06514	0.6
171.11624	7.9
173.13225	18.6
175.14798	18.6
177.16333	17.0
179.17957	2.5
183.11600	1.1
183.14806	1.3
184.07327	0.7
185.13239	5.9
186.13913	1.1
187.14786	14.8
189.16336	15.0
191.17909	9.0
193.15884	1.1
197.13312	2.1
199.14810	6.8
201.16364	20.3
202.16699	0.8
203.17914	20.0
205.15994	4.3
205.19505	4.5
207.17380	2.2
211.14752	1.3
213.16376	6.6
215.17915	10.2
217.15898	2.7
217.19481	16.2
219.15176	0.7
219.17383	4.0
219.20955	0.8
225.07530	2.3
225.16232	2.5
227.17889	8.7
229.19527	10.7
231.17363	0.8
231.21039	2.1
233.19037	0.9
239.17880	0.8
241.19528	4.4
243.08675	1.3
243.21048	8.2
245.18938	2.3
245.22560	0.7
253.19377	1.3
255.21034	7.3
257.22641	7.5
259.20483	1.2
267.21008	3.4
269.22607	8.5
271.24069	3.1
279.10620	2.5
281.22549	0.9
283.24155	3.0
285.22195	0.7
287.07843	0.7
295.24112	2.2
304.20401	0.6
305.08572	3.2
309.25708	1.0
311.27368	0.8
313.24988	1.4
349.28754	0.9
365.32144	7.6
405.35129	21.8
421.34451	0.9
423.36142	100.0
424.36435	4.7
441.37241	7.3
511.37366	2.3
522.29718	0.6
581.38281	11.7
599.39288	7.4
608.94836	0.7
869.04016	0.7
966.91516	0.7
980.41821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1058.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04377	0.4
79.05413	3.6
81.03333	1.3
81.06976	9.7
83.04894	13.8
83.08534	11.5
84.04421	0.2
85.02827	16.0
85.06461	3.5
87.03873	0.5
87.04391	13.5
91.05398	4.9
93.06969	6.9
94.07210	0.2
95.04891	9.8
95.08530	6.4
96.08865	0.2
97.02821	17.4
97.06460	9.9
97.10104	2.3
98.03123	0.2
99.04388	2.9
99.08003	1.4
103.03855	0.4
105.06978	10.9
107.04935	0.3
107.08534	14.2
109.02826	0.9
109.06470	17.7
109.10104	21.6
111.04392	1.2
111.08020	4.8
113.05930	1.0
113.09576	1.0
114.93680	0.2
115.03878	14.1
115.07542	2.9
117.06963	1.1
119.04882	0.9
119.08537	5.6
121.06435	0.9
121.10097	14.6
122.10481	0.3
123.08047	3.9
123.11660	6.3
125.05926	0.9
125.09589	5.2
127.03853	2.1
127.07518	0.9
129.06937	0.3
129.10220	0.3
131.08537	7.5
133.04929	11.3
133.10092	31.7
134.10376	0.3
135.04387	0.2
135.08017	4.6
135.11633	2.5
137.09576	0.9
137.13206	1.0
139.03851	0.4
139.11148	2.8
143.08548	1.7
144.09398	0.4
145.04921	2.3
145.10114	3.5
147.04433	0.3
147.11671	10.5
149.09549	2.0
149.13254	7.7
150.07591	0.5
151.11153	17.5
153.09082	8.1
155.06990	0.3
156.09421	0.2
157.09993	0.2
158.10873	2.8
161.09612	0.2
163.11168	0.9
163.14781	2.9
165.12706	5.0
167.14276	23.4
168.14630	0.3
169.04974	0.4
169.12189	1.1
171.10158	0.8
173.13222	18.1
174.13600	0.3
175.03859	0.9
175.14714	0.3
177.05379	0.2
181.04817	0.3
181.12244	1.9
181.15918	0.2
189.12767	0.2
191.14270	17.1
197.08035	1.6
205.06917	0.3
207.06476	1.0
207.13757	0.9
209.15331	100.0
210.15660	2.4
225.14835	0.4
227.16379	28.9
241.06995	0.8
243.06406	0.2
255.06485	1.6
259.08069	1.1
271.05908	1.0
277.09137	0.8
295.10205	2.3
305.17490	0.3
341.19482	3.6
389.21634	0.3
397.54907	0.2
538.28137	0.5
871.49725	0.3
905.67969	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	1058.6383
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05415	0.5
81.06985	6.3
83.08533	5.1
84.08068	0.9
85.10099	8.9
86.09614	2.7
89.05956	1.6
95.08542	10.9
97.10088	3.0
98.98386	0.5
99.11649	0.5
103.07521	0.5
107.08537	0.5
107.55811	0.5
108.02750	0.4
109.10120	5.1
119.18719	0.4
120.08068	0.8
123.11656	2.0
137.13229	0.7
152.69249	0.4
184.07361	0.9
216.06390	0.5
239.23592	2.2
257.24670	3.4
282.27893	3.1
313.27322	100.0
314.27576	4.3
436.27994	0.7
454.29178	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	1059.535
Annotation	Unknow
Peak:m/z	Relative Intensity
74.05981	1.9
75.04390	1.8
79.05408	6.8
81.03326	1.1
81.06972	24.6
83.04911	10.7
83.06007	4.7
83.08524	4.6
84.04420	10.3
84.08070	21.1
85.02824	58.5
86.09623	18.0
87.05515	1.4
87.09949	0.8
89.02310	5.7
91.03870	4.5
91.05380	10.4
93.06966	18.5
95.01246	15.4
95.04871	3.6
95.06020	0.8
95.08530	47.3
97.02820	19.5
97.10065	4.6
99.00731	2.0
99.04371	1.8
101.02310	1.3
101.07001	0.9
102.05450	1.6
103.03862	1.3
103.05368	1.1
105.06966	23.8
107.08534	38.6
109.02811	4.5
109.06419	1.6
109.10105	37.3
110.07108	20.5
111.04385	7.1
111.08014	4.4
113.02277	2.1
115.08612	1.7
117.06926	1.8
119.04865	0.9
119.08538	27.5
120.08080	10.0
121.10098	27.4
123.00661	1.0
123.11655	12.6
125.07138	0.8
127.03849	6.9
129.05466	7.4
129.10196	10.3
131.03389	1.7
131.08592	6.5
133.10101	28.0
135.02806	1.5
135.11655	21.5
136.07556	1.9
137.13251	2.1
139.03900	1.3
139.11136	0.9
141.00792	1.5
141.01804	29.4
141.10208	1.4
143.08524	3.2
143.11786	1.0
145.04927	1.8
145.10106	18.4
147.06508	4.2
147.11671	21.4
149.13229	13.6
151.11066	0.8
155.08240	1.4
156.09322	1.0
157.04881	1.1
157.10007	4.8
159.02859	4.4
159.07678	0.8
159.11673	18.3
161.13222	18.7
163.05916	4.0
163.14775	9.6
169.09975	0.9
169.13441	0.8
171.11615	6.5
173.13193	14.2
175.14792	12.6
177.16339	10.5
183.14897	1.4
185.13116	4.4
187.14787	12.1
189.16359	14.8
191.17931	4.7
193.15833	1.0
197.13081	1.7
199.14758	4.8
201.16365	22.3
203.17917	19.3
205.15816	2.0
205.19466	2.1
207.17387	3.6
211.14615	1.2
213.16342	6.1
215.17966	9.5
217.15842	1.8
217.19427	11.5
219.17453	1.6
219.21106	1.3
225.16624	1.2
227.17853	6.4
229.19447	10.5
231.21085	1.4
239.97522	0.9
241.19478	4.9
243.20999	9.1
245.18886	1.2
253.19171	1.3
255.20978	6.1
257.22562	6.7
269.22461	8.3
271.20526	0.9
271.24066	1.4
283.24191	3.4
295.24176	1.6
297.25516	1.1
305.08640	1.8
365.32263	5.9
405.35092	22.3
406.34958	1.2
423.36108	100.0
424.36371	9.8
539.36908	1.3
548.03387	0.9
581.38367	9.8
599.39105	8.7
928.33203	1.0
969.65424	1.0
1019.49585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5723
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04391	7.7
75.80336	0.5
79.05405	7.1
81.06973	21.4
83.01210	0.5
83.04899	8.0
83.08537	3.7
84.04419	2.1
84.08066	4.5
85.02823	54.9
86.09601	3.7
87.04374	2.2
91.03892	4.0
91.05402	7.3
93.06967	20.2
95.01244	13.2
95.04893	2.2
95.08528	46.6
97.02821	7.4
97.10091	4.0
101.02290	0.7
103.03870	3.8
105.06970	21.8
106.07294	0.7
107.08533	31.3
108.08828	0.6
109.02818	1.0
109.06413	0.9
109.10104	31.5
110.07104	2.1
111.04396	5.1
111.08051	3.7
111.11638	1.1
113.02329	2.7
117.05408	2.2
117.06961	2.5
119.08529	26.2
120.08050	3.0
120.08827	0.5
121.10097	24.5
122.10410	0.5
123.11659	14.7
124.99949	0.8
127.03864	3.0
129.05434	9.0
129.06927	1.3
129.10207	2.3
131.03372	1.0
131.08525	8.2
133.10086	24.7
135.05400	0.5
135.11655	19.7
136.07587	0.9
137.13214	2.8
139.11148	0.8
141.01799	31.1
143.08507	3.8
145.04890	1.2
145.10089	13.2
147.06477	3.0
147.11664	20.6
147.12785	0.9
149.13222	13.3
151.11142	0.7
151.14789	0.7
153.12756	0.7
155.08464	0.6
157.04936	0.9
157.10097	6.2
159.02817	4.6
159.11649	14.6
160.12276	0.7
161.13222	19.5
163.05943	3.5
163.14799	10.0
165.12689	0.8
169.09966	0.7
171.11644	5.3
172.12445	0.6
173.13226	13.4
175.14784	12.5
177.03888	1.0
177.16324	12.6
179.17906	0.9
181.64827	0.5
183.11664	1.1
184.07333	1.0
185.13232	4.6
187.14783	10.9
189.16342	13.1
191.17899	6.9
193.15889	0.8
197.13210	1.0
199.14717	5.7
201.16347	17.9
203.16197	1.1
203.17918	18.4
205.15820	3.4
205.19481	3.0
207.17339	1.0
211.14751	2.2
213.16251	4.2
215.17912	8.4
216.18394	0.6
217.15825	2.9
217.19469	13.3
219.17392	3.1
219.20952	0.9
225.16428	0.7
227.17888	7.5
229.19514	7.6
230.19832	0.8
231.08537	1.1
231.21051	1.8
233.19016	0.8
239.17923	1.2
241.19569	3.9
243.20998	8.8
245.19000	2.1
245.22621	0.8
253.19423	2.1
255.20947	6.7
257.22476	6.5
259.20419	0.7
261.22006	0.9
267.20947	2.9
269.22629	7.2
271.24310	0.9
283.24155	2.2
295.24033	2.3
297.25662	0.7
305.08508	2.8
309.25687	0.8
311.27304	0.6
363.30414	1.0
365.32001	5.7
393.34927	0.5
405.29892	0.9
405.35089	23.6
406.35342	0.9
417.07895	0.5
421.34579	2.3
423.36111	100.0
424.36395	6.2
441.37085	3.2
452.82062	0.5
507.38330	0.7
525.39038	3.9
581.38324	10.2
582.38190	0.9
599.30341	0.7
599.39410	13.0
691.51733	0.5
762.62311	0.6
844.09686	0.6
979.94293	0.7
1060.28943	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.5292
Annotation	Unknow
Peak:m/z	Relative Intensity
75.97451	0.4
81.06980	0.6
81.17884	0.5
85.02854	2.3
91.05380	0.6
93.07001	1.1
95.08546	0.6
105.06995	0.8
107.08606	1.0
109.10152	2.1
119.01025	8.8
119.08630	1.8
127.03934	3.0
133.10107	0.9
135.11711	0.6
137.02094	5.0
155.03174	3.4
169.04698	0.7
181.01155	2.6
198.82347	0.6
199.02240	1.2
217.03317	3.2
269.06473	3.0
301.08902	20.5
319.10062	0.9
331.06546	0.8
349.07715	2.5
350.13184	0.5
361.11218	2.5
385.11270	3.1
397.10995	0.8
415.11969	5.9
459.11337	0.8
477.12183	12.7
478.12625	0.7
952.25244	0.6
1061.52820	100.0
1062.53223	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	1061.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
74.05972	0.6
79.05412	6.7
81.03323	3.7
81.06514	1.1
81.06978	26.4
82.06483	0.8
83.06019	1.3
83.08533	5.8
83.41737	0.5
84.04426	7.5
84.08068	26.3
85.02831	44.0
85.08389	1.0
86.03143	0.6
86.09628	11.2
87.05515	1.2
88.03902	2.0
89.02281	0.6
90.33606	0.6
91.03883	14.8
91.04459	0.7
91.05408	11.3
93.04468	0.9
93.06972	18.1
95.01255	18.5
95.04881	3.2
95.06008	0.6
95.08533	52.1
96.08013	0.6
97.02825	19.1
97.06479	0.7
97.10088	3.4
98.05942	0.6
98.09612	0.9
99.00744	1.2
99.04368	0.9
100.11128	0.6
101.02325	1.0
101.07092	1.2
102.05478	1.0
102.33476	0.5
103.03883	3.7
103.05371	3.8
104.06062	0.5
105.06972	20.7
107.04924	0.6
107.08540	34.6
109.02198	0.7
109.02814	5.4
109.06451	0.7
109.10111	34.5
110.07113	9.8
111.04450	0.6
111.08025	3.3
111.11691	1.2
112.08687	1.3
113.02325	3.0
115.03863	1.1
115.08640	0.7
117.06961	3.0
119.04900	0.9
119.08533	28.1
120.08062	21.4
120.08908	0.9
121.08389	2.8
121.10100	28.9
123.11659	13.2
127.03882	12.5
127.08619	0.6
129.06914	0.9
129.10204	12.7
130.06453	0.6
131.08522	7.0
132.08081	0.7
133.10092	22.7
133.11021	1.1
135.11667	19.2
136.07568	9.2
137.13211	3.3
139.08664	0.7
139.11140	2.3
141.01810	42.2
141.06580	0.9
141.10219	2.1
143.08524	3.7
143.11754	0.8
143.52969	0.6
145.04956	10.7
145.10107	14.9
147.11664	22.2
148.11983	0.7
149.13231	12.8
151.08737	0.6
151.11124	0.9
155.08203	0.8
155.11806	1.0
157.06125	0.6
157.10103	5.3
157.13411	0.6
159.02855	5.4
159.11658	16.5
161.13225	22.5
163.05986	11.5
163.14796	9.6
165.12726	1.1
167.08130	0.9
169.04993	0.7
169.09926	0.9
169.13307	0.8
171.07573	0.7
171.11609	4.8
173.13234	14.7
174.13870	0.7
175.14795	14.6
177.03905	1.1
177.16327	12.7
179.17903	0.9
183.11485	1.3
183.14955	0.7
185.09206	1.3
185.13208	4.9
185.83354	0.6
187.14780	12.1
189.16338	13.2
191.14333	0.9
191.17906	5.9
193.15959	0.7
197.13098	1.3
199.14771	4.7
201.16347	17.7
202.16666	1.0
203.17934	20.4
205.15906	3.9
205.19493	2.7
207.17407	1.3
211.14769	0.9
213.08681	1.0
213.16302	5.4
215.17931	9.9
217.15897	1.1
217.19502	12.7
219.17438	3.5
225.16394	1.2
227.17935	8.3
229.19449	8.5
231.17325	0.8
231.20990	2.3
233.18857	0.9
240.13477	0.8
241.19409	4.8
243.21024	9.3
245.18919	2.3
247.20473	0.7
252.13435	0.6
253.19376	1.1
255.20918	4.9
257.22595	5.9
261.22037	0.7
267.20935	2.6
269.22629	7.2
283.24164	1.3
285.22150	0.7
295.24142	1.1
297.25665	1.3
309.25525	0.7
311.27228	0.6
313.25351	1.1
321.08008	3.8
325.11218	0.8
339.09109	1.0
346.53775	0.6
347.08975	0.6
349.29013	0.6
365.31961	6.1
405.35074	25.5
407.36639	0.7
421.34430	1.1
423.36142	100.0
424.36523	7.2
441.37070	2.8
493.36725	0.8
505.25464	0.6
511.37793	5.2
581.38293	12.0
582.38562	0.9
599.39410	13.9
966.16821	1.1
1088.91931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
74.05956	0.2
75.04398	2.8
77.03841	0.3
79.05406	7.4
81.03343	1.2
81.06970	22.8
82.07294	0.4
83.01245	0.4
83.04898	9.1
83.06012	0.4
83.08531	4.4
84.04420	1.3
84.08064	5.5
85.02822	51.1
86.03130	0.3
86.09624	2.5
87.04389	1.0
87.09942	0.3
87.78186	0.2
88.03886	0.2
91.03876	3.2
91.05399	8.7
93.06968	19.8
95.01252	16.6
95.04890	2.6
95.08528	53.0
96.01559	0.2
96.08881	1.0
97.02818	7.2
97.06454	0.5
97.10085	3.6
99.00739	1.6
99.04385	1.1
101.02328	1.1
101.05933	0.3
102.05483	0.5
103.03885	1.9
103.05388	1.0
105.06969	24.0
107.04915	0.3
107.08533	33.4
108.08858	1.2
109.02843	1.2
109.06432	1.6
109.10101	34.9
110.07108	1.1
110.10439	0.5
111.04391	5.9
111.08018	5.4
111.11675	1.6
113.02318	2.7
115.03886	0.3
115.05472	0.2
117.06961	2.8
119.04897	0.3
119.08531	27.8
120.08059	3.4
120.08836	0.7
121.10092	27.2
122.10425	0.5
123.00733	0.8
123.08008	0.5
123.11652	15.4
124.11997	0.3
125.09586	0.4
127.03873	3.0
129.05438	9.4
129.06964	1.5
129.10196	3.1
131.03386	1.3
131.08533	7.9
133.10094	24.6
134.10442	0.9
135.11655	20.2
136.07533	1.6
136.11975	0.4
137.09602	0.4
137.13235	3.8
139.03905	0.3
139.11151	1.7
141.01799	32.4
142.07803	0.4
143.08543	3.9
144.09322	1.0
145.04948	3.2
145.10098	16.0
147.06488	3.2
147.11661	24.5
148.11958	0.5
149.12039	0.5
149.13231	14.1
151.11163	1.3
151.14838	0.9
155.08437	0.3
157.10101	6.4
158.10902	0.4
159.02841	4.9
159.11650	18.7
160.12251	0.4
161.13217	20.9
162.13564	1.0
163.05972	3.5
163.11160	0.5
163.14775	10.4
163.16142	0.5
165.07587	0.3
165.12746	1.6
167.14243	0.2
169.10059	1.0
171.06401	0.4
171.11665	5.8
172.12372	0.8
173.11737	0.5
173.13220	14.6
174.13840	0.3
175.14772	14.2
176.15219	0.4
177.03905	1.4
177.12746	0.5
177.14810	0.5
177.16335	13.1
177.17856	0.4
178.16693	0.3
179.14027	0.2
179.17888	1.9
183.02849	0.3
183.11575	1.8
185.13206	4.8
186.13977	0.5
187.14769	12.3
188.15080	0.3
189.12714	0.3
189.16333	14.3
190.16640	0.5
191.14302	0.8
191.17912	7.2
193.15910	1.6
195.17458	0.5
197.13216	2.0
198.14046	0.3
199.14781	6.3
200.15404	0.4
201.16347	18.4
202.16730	0.5
203.17909	21.7
204.18282	0.4
205.15857	3.7
205.19502	3.4
207.17369	2.0
209.13301	0.3
210.13844	0.3
211.14696	1.8
213.16351	5.4
215.17906	9.9
217.16032	3.9
217.19466	15.0
218.19838	0.3
219.17436	3.8
219.21068	1.1
221.19043	0.5
223.14723	0.3
225.07570	0.2
225.16397	1.8
226.17252	0.3
227.17931	7.8
228.18454	0.5
229.19456	10.1
230.19867	0.4
231.17413	1.3
231.21062	1.3
233.19009	1.5
239.17796	1.7
240.18762	0.3
241.19467	4.9
242.20128	0.3
243.20999	8.8
244.21521	0.3
245.18942	1.8
245.22641	1.1
247.20422	0.9
251.17947	0.3
253.19534	1.7
255.08661	0.9
255.20988	6.1
256.21393	0.4
257.22595	5.8
259.20554	1.3
259.24158	0.3
261.22098	1.0
267.20984	2.6
269.06458	0.4
269.22552	7.7
270.23010	0.4
271.20526	1.0
271.24127	2.2
273.09497	0.3
273.21985	0.3
281.22629	1.8
283.24100	2.5
285.22122	0.9
285.25455	0.5
287.07651	1.2
287.23392	0.3
293.22482	0.3
295.24194	2.1
297.25760	2.1
305.08441	2.4
309.11871	1.0
309.25644	1.1
311.27170	0.8
313.25235	1.3
321.08109	0.3
321.25772	0.4
323.09598	0.5
335.27551	0.3
339.09210	0.4
349.28656	0.4
363.30444	0.9
365.31937	6.7
366.32587	0.4
367.29858	0.3
393.35196	0.4
395.36530	0.4
405.35074	22.6
406.35205	1.7
407.36615	0.5
421.34625	1.0
423.36115	100.0
424.36496	10.0
441.37515	2.1
464.28537	0.3
465.37036	0.4
481.36938	0.5
499.37720	5.6
500.38306	0.5
551.41095	0.3
581.38214	10.7
582.38538	1.4
599.39276	10.5
600.39648	1.4
1023.54749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
79.02367	0.4
80.42287	0.3
86.99997	0.4
90.58121	0.3
126.07166	0.5
157.34081	0.4
230.10727	0.4
234.18939	0.4
296.11533	0.4
381.07895	100.0
382.08240	2.6
418.35742	0.4
427.28009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04421	0.7
79.05398	5.1
81.06976	20.3
83.04878	6.1
83.08530	4.1
84.08067	1.6
85.02829	36.5
86.09634	1.1
91.03870	2.9
91.05414	7.9
93.06973	15.0
95.01253	8.5
95.04861	0.9
95.08537	40.8
97.02808	4.3
97.10095	1.6
101.02283	1.7
105.06973	17.0
105.46800	0.6
107.08539	26.8
108.19781	0.8
109.09396	1.3
109.10110	26.0
111.04388	4.2
111.08022	1.7
113.02277	1.2
117.06939	0.9
119.08538	28.2
120.08029	0.9
121.09212	1.0
121.10089	25.2
123.00775	0.7
123.11642	8.4
127.03871	28.2
129.05418	4.4
129.10187	1.1
131.08510	4.0
133.10095	25.3
135.11662	29.7
136.07564	1.4
137.13219	4.8
139.11154	1.2
141.01808	17.7
143.08569	1.0
145.04921	4.9
145.10112	10.4
147.06497	1.6
147.11693	18.6
149.13237	10.3
151.11034	0.8
157.10066	3.0
159.02855	1.5
159.11650	10.4
161.13213	16.1
162.13438	0.7
163.05984	1.1
163.14771	6.0
171.11652	2.6
173.13220	8.8
175.14766	14.7
177.16322	8.8
185.13193	1.5
187.14781	9.1
189.16331	13.2
191.17923	7.9
193.15799	1.2
195.17372	1.4
197.13116	0.7
199.14821	3.1
201.16330	8.6
203.17928	26.7
204.18321	1.0
205.15897	1.2
205.19576	0.9
207.17403	0.8
211.14760	1.0
213.16331	3.6
215.17897	6.8
217.19476	11.2
219.17535	1.0
227.17929	5.9
228.18666	1.3
229.19481	14.7
229.21587	1.2
231.20862	0.9
233.18884	0.8
255.21158	1.3
257.22653	1.7
267.21033	0.8
269.22498	1.7
279.19385	0.8
283.24200	0.9
304.06165	0.7
305.08575	1.5
339.89822	0.8
365.31848	3.3
393.34909	1.4
405.35056	10.6
419.07010	0.9
423.36136	100.0
424.36423	9.1
441.37036	10.9
446.96655	0.8
537.38611	0.9
549.39227	4.9
567.40271	6.7
568.40594	0.9
572.82373	1.0
581.38477	7.4
582.38367	1.0
599.39563	13.2
600.39008	0.9
617.39893	2.5
697.71393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04390	5.3
76.56273	0.4
79.05420	8.4
81.03336	1.8
81.06976	26.4
83.04901	10.6
83.08541	5.1
85.02828	65.7
86.03159	0.4
87.04398	0.5
91.03877	4.0
91.05404	9.3
93.03352	0.4
93.06976	22.1
95.01253	14.2
95.04902	2.0
95.08537	56.2
96.08869	0.6
97.02831	5.6
97.10081	3.3
99.00756	1.7
99.04378	2.4
101.02322	28.0
103.03883	2.3
105.06261	0.8
105.06975	22.9
107.08540	36.8
108.08883	0.5
109.02058	0.3
109.02862	2.0
109.06474	2.2
109.10110	36.4
110.10427	0.4
111.04392	6.6
111.08054	5.8
111.11667	2.2
113.02324	1.6
115.03922	0.5
115.05443	0.5
116.46989	0.4
117.06964	2.5
119.08541	32.0
121.10103	28.2
123.08043	0.8
123.10748	0.5
123.11656	14.3
125.02316	0.5
127.03876	56.5
128.04204	0.6
129.05431	8.7
129.06937	1.3
130.07930	0.5
131.03401	1.6
131.08530	8.2
133.10097	26.3
134.10454	0.9
135.11664	20.0
136.12047	0.5
137.13286	2.9
139.11182	1.7
141.01808	28.5
142.02203	0.8
143.08549	3.1
144.09364	0.5
145.04944	33.2
145.10104	19.1
147.06476	3.5
147.11670	24.2
149.13243	18.1
151.11206	1.7
151.14864	0.8
153.12698	0.4
155.08488	0.5
156.09383	0.5
157.10109	4.7
158.10930	0.6
159.02849	3.4
159.11671	20.0
160.12411	0.9
161.13229	20.0
163.05988	2.9
163.14789	10.7
165.12709	0.7
169.09949	0.4
171.11687	4.6
172.12440	0.5
173.13231	13.0
174.13770	0.5
175.14801	14.3
177.03899	0.7
177.12833	0.5
177.16341	16.2
179.17952	0.5
183.11679	0.9
185.13216	4.3
186.13939	0.8
187.14799	11.5
189.16344	16.0
191.17947	7.3
193.15892	0.7
195.17567	0.6
197.13223	1.5
199.14801	4.8
201.16357	22.3
202.16652	0.7
203.14108	0.5
203.17926	21.8
205.15828	3.3
205.19495	4.7
207.17468	2.6
211.14850	1.7
213.16367	5.9
215.17912	10.2
217.15933	2.1
217.19485	16.1
218.19870	0.5
219.17441	3.6
219.21027	0.7
221.19054	0.5
225.16367	0.7
227.17941	6.7
229.19487	9.9
231.17439	0.7
231.21027	2.8
233.19019	0.6
235.20537	0.6
239.17946	0.9
241.19453	3.9
243.21004	5.9
245.18938	2.7
245.22643	0.8
253.19417	1.5
255.21040	5.8
257.22607	4.7
259.20468	0.8
259.24420	0.4
267.21078	2.4
269.06491	0.6
269.22623	6.6
271.24097	2.0
281.22574	0.9
283.24222	2.4
285.21909	0.4
287.07452	0.6
295.24252	2.4
297.25781	0.8
299.23663	0.4
305.08588	2.4
309.25653	0.5
309.67880	0.5
311.27026	0.6
313.25150	1.4
323.27249	0.8
327.26715	0.5
339.09293	0.4
349.29102	0.6
365.31970	6.9
393.35162	0.6
405.35083	23.3
406.35483	0.9
423.36127	100.0
424.36530	5.5
441.37357	3.6
537.39374	0.7
549.39478	2.0
567.40332	6.6
581.38324	12.6
582.38519	0.7
585.41705	0.5
599.39374	10.3
658.23773	0.4
725.42163	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
74.05985	1.5
75.04388	8.9
79.05413	11.6
81.03336	3.4
81.06975	33.0
83.04901	16.5
83.06015	1.1
83.08553	8.0
84.04434	4.3
84.08066	19.0
85.02830	100.0
86.03146	0.7
86.09634	8.1
87.04386	0.8
88.03927	1.4
91.03883	5.0
91.05412	14.8
93.06982	26.6
94.07362	0.8
95.01262	21.9
95.04890	3.4
95.08536	58.3
97.02213	1.1
97.02805	10.2
97.10114	4.4
98.05985	1.3
99.00774	1.3
99.04392	1.8
100.84284	0.8
101.02319	38.9
102.05478	1.3
103.03880	3.8
103.05399	1.5
105.06979	31.0
107.08544	42.4
108.08885	1.2
108.92072	0.9
109.02834	3.1
109.06487	1.5
109.10110	52.6
110.07104	7.4
111.04388	10.1
111.08045	8.3
111.11685	3.0
113.02290	4.3
117.06970	3.7
119.08536	39.3
120.08066	15.3
121.10101	33.8
121.10928	1.5
123.11678	16.1
123.95623	1.0
127.03883	55.7
129.05455	15.0
129.06963	1.3
129.10217	11.4
131.03395	1.6
131.08536	12.5
133.10100	35.7
135.11673	22.1
136.07579	4.7
137.13223	5.2
141.01810	52.7
141.10173	1.0
143.08556	5.1
144.09306	1.2
145.04941	37.9
145.10106	23.0
147.06485	6.5
147.10503	1.2
147.11671	35.3
149.13246	22.6
151.11079	1.0
151.14758	1.0
157.10091	7.7
158.10858	1.2
159.02885	6.3
159.10411	1.7
159.11674	28.2
161.13222	29.1
163.06030	5.0
163.14793	13.1
165.12640	0.8
169.09952	1.1
171.11641	5.8
173.13245	13.5
175.14784	18.2
177.16380	14.4
179.17958	1.4
183.11633	1.8
184.07362	1.5
185.09239	1.3
185.13271	6.7
187.14789	13.8
189.16348	18.2
191.17944	8.0
197.13210	3.3
199.14809	6.5
201.16364	22.8
203.17926	20.3
205.15906	9.5
205.19534	4.9
211.14754	1.5
213.16415	5.8
215.17978	10.7
217.15802	4.2
217.19485	24.5
219.17406	3.3
225.16370	1.6
227.17865	6.7
229.19446	9.3
231.21075	3.5
239.17853	1.2
241.19547	4.7
243.20993	6.6
245.18869	1.7
253.19464	3.9
255.20923	8.3
257.22626	4.4
259.20605	0.9
269.22659	6.0
271.24118	2.0
281.22717	1.5
283.24109	1.2
287.07730	1.6
295.24164	3.4
297.25748	3.8
305.08545	4.2
309.11740	3.6
323.27460	1.0
349.28879	0.9
365.32007	14.5
366.32623	1.0
405.35095	42.4
406.35303	1.4
421.34860	1.0
423.36130	87.9
424.36392	7.3
441.37372	6.4
549.39093	4.8
567.40247	4.6
581.38208	9.7
599.39130	13.9
617.40363	1.4
638.82257	1.0
657.08521	0.9
828.14026	0.9
895.92200	1.0
933.57483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.049
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02314	0.3
53.03890	2.1
55.01802	0.1
56.96247	0.2
56.96505	3.7
58.86975	0.1
63.86142	0.1
66.79288	0.2
71.00685	0.3
74.09583	0.1
74.97520	0.4
77.03834	0.3
79.05408	100.0
80.05721	1.1
81.03333	0.3
84.01492	3.8
88.77460	0.1
91.05401	1.0
93.02016	3.8
93.05731	0.2
93.52187	0.2
95.04891	8.4
99.02026	0.1
104.52789	0.2
105.04468	1.5
105.05086	0.2
107.04900	11.1
108.04358	0.2
108.08070	2.4
109.06460	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	1071.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04388	6.3
79.05398	7.2
79.28594	1.0
81.03321	1.9
81.06974	15.3
83.08547	1.9
84.04423	5.9
84.08058	11.8
84.41085	1.1
85.02346	2.3
85.02826	38.1
85.03340	1.2
86.09605	5.9
91.05397	7.2
93.06971	15.2
95.01252	4.6
95.04861	1.3
95.08540	21.8
97.02834	10.0
97.06483	1.1
99.04379	1.8
101.02311	65.7
102.79263	1.0
105.06980	19.7
107.08544	21.2
109.02833	2.3
109.10103	17.1
110.07156	8.5
111.08054	4.6
113.02261	1.2
114.37013	1.1
115.03896	2.1
117.07005	1.7
119.08532	24.9
120.08054	1.6
121.10111	16.5
123.11648	4.8
125.63074	1.1
127.03877	100.0
129.06644	1.1
129.10156	5.0
131.08493	9.9
133.10097	16.3
135.11642	11.4
139.53575	1.1
141.01816	15.2
143.08498	2.7
145.04938	42.8
145.10098	17.1
147.11665	15.9
149.13234	12.0
157.10069	7.8
159.11653	18.0
161.13210	13.3
163.14781	2.0
171.11627	5.2
173.13179	11.1
175.14812	8.8
177.16371	5.7
185.13240	4.3
187.14740	8.8
189.16331	11.6
191.17867	1.5
193.15846	2.2
199.14799	6.2
201.16364	10.9
203.17952	5.1
205.15846	7.3
207.17415	5.4
211.14723	1.8
212.74306	1.2
213.16286	2.8
215.17838	7.9
217.19496	2.3
219.17398	6.7
227.17967	2.0
231.17401	1.5
233.18959	2.6
243.21046	1.6
245.18906	5.5
253.19406	2.4
255.06549	1.9
255.20862	1.5
273.22235	1.4
289.09384	1.4
307.10300	2.3
345.94626	1.3
381.31433	2.5
403.33179	2.4
409.34921	3.4
421.34613	24.9
422.34735	1.7
433.25568	1.6
439.35532	32.6
445.84985	1.2
457.37192	1.4
469.47122	1.3
505.52936	1.4
547.37952	1.4
565.38531	4.4
597.38043	2.2
615.38574	2.0
791.12164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1072.5729
Annotation	Unknow
Peak:m/z	Relative Intensity
77.89041	0.5
79.05410	20.6
81.06977	29.8
83.06033	0.6
83.08534	4.6
84.04427	2.4
84.08076	6.3
86.09626	6.5
91.05408	11.6
93.06973	28.3
95.04888	3.6
95.08533	27.1
97.06463	1.0
97.10112	1.1
98.05989	3.1
98.98397	14.7
99.08014	0.5
102.88674	0.5
105.06980	8.5
107.07873	0.8
107.08552	14.5
109.06461	0.8
109.10106	8.9
110.07121	0.7
111.08023	0.9
117.06979	2.6
119.08531	6.9
120.08051	6.1
121.10098	11.6
123.11691	2.7
124.01565	1.3
127.03937	0.6
129.10194	3.3
131.08507	4.1
133.10080	6.3
135.11673	6.9
136.07552	0.7
137.09650	0.5
142.02634	0.7
145.10103	3.5
147.11682	3.6
149.13254	3.8
153.31322	0.5
155.01033	2.8
159.08049	0.6
159.11699	2.6
161.13249	2.9
163.14857	1.0
171.40332	0.5
173.02094	2.6
173.13202	2.2
175.14767	0.9
184.07347	2.3
187.14830	0.8
198.05249	2.0
216.06319	2.6
243.20915	0.9
261.22089	7.9
304.26285	11.8
305.26672	0.5
317.24615	0.7
335.25742	100.0
336.26114	3.7
415.22321	5.1
458.26627	43.2
459.26733	1.1
476.27643	73.6
477.28143	4.1
676.78735	0.7
794.91211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01692	0.1
81.03326	1.1
83.01271	0.2
84.04410	0.4
84.08069	0.4
85.02826	5.3
89.03833	0.8
91.05404	17.8
92.10890	0.4
95.04894	1.6
97.02820	2.2
99.04367	0.3
101.12161	0.2
105.03332	0.2
107.04918	1.5
107.05544	0.2
109.02814	0.4
111.00735	0.2
112.08669	0.2
118.04073	0.2
119.04897	33.5
120.05206	0.4
121.02814	1.2
121.06419	0.4
122.03607	0.2
123.04381	3.1
127.03875	0.7
129.01770	0.3
129.03339	0.3
129.10144	0.3
132.02026	1.1
133.02766	0.4
135.04373	0.7
145.02776	0.3
145.04938	0.7
146.03619	0.4
147.04388	60.2
148.04721	1.6
149.02342	1.0
151.03868	0.9
153.01801	76.8
154.02122	1.4
155.03279	0.2
157.03963	1.4
163.03857	0.2
164.04642	1.0
165.01799	1.4
171.02841	7.7
171.06528	0.2
174.03079	0.3
175.03873	31.6
176.04204	0.9
177.01813	0.2
179.03360	1.3
179.06998	2.1
181.04921	4.8
183.02837	2.8
189.01793	0.2
189.05464	0.9
191.03362	1.8
192.04179	1.3
195.02859	6.5
195.04655	0.2
205.04984	0.3
207.06494	47.5
208.06897	1.8
215.03432	0.2
219.02849	2.7
231.02852	1.0
231.06465	0.4
237.03735	0.2
249.03830	1.1
255.06627	0.6
261.03912	1.8
273.07513	100.0
274.07867	3.5
282.28909	0.2
285.07568	1.7
297.07541	0.8
315.08661	1.4
339.08435	2.0
339.75516	0.2
351.08444	0.4
369.09393	0.3
381.09686	0.3
399.10693	0.9
417.11621	1.0
435.12762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04401	2.3
77.03804	0.2
79.05417	7.6
79.60498	0.2
81.03343	1.1
81.06982	23.0
82.07307	0.2
83.01277	0.5
83.04906	8.9
83.08546	4.7
84.04426	0.4
84.08068	2.1
85.02834	45.8
85.06471	0.3
86.03185	0.4
86.09631	1.6
87.04411	1.1
89.02316	0.8
91.03891	3.6
91.05411	8.1
92.10284	0.2
92.85184	0.2
93.06979	19.4
95.01261	12.8
95.04913	2.5
95.08540	49.4
95.90162	0.2
96.08865	0.8
97.02826	6.6
97.06463	0.8
97.10102	3.2
99.00749	1.5
99.04395	1.5
99.07999	0.3
101.02346	0.4
103.03888	1.6
103.05406	0.9
105.04455	0.2
105.06982	23.1
107.08546	32.7
108.08875	0.4
109.02847	1.3
109.06447	1.6
109.10115	33.2
110.07133	1.0
110.10392	0.2
111.04400	5.5
111.08046	4.3
111.11666	1.5
113.02301	2.2
113.06008	0.3
115.03898	0.5
115.05410	0.3
117.06983	3.2
119.08547	27.6
120.08083	1.5
120.08855	0.3
121.10107	28.0
122.10453	0.3
123.00755	0.9
123.08015	0.9
123.11665	14.3
124.12058	0.2
125.09657	0.4
127.03873	3.2
128.06224	0.2
129.05453	8.3
129.06981	1.2
129.10222	1.4
130.07700	0.3
131.03380	1.2
131.08540	7.8
131.09525	0.3
133.10107	25.8
134.10443	0.4
135.11667	19.6
136.07590	0.8
137.09619	0.7
137.13237	3.7
139.03848	0.4
139.11150	1.7
141.01816	31.5
142.02165	0.4
142.07753	0.3
143.08548	3.3
144.09331	0.8
145.04958	2.1
145.10114	15.3
147.06506	3.9
147.11679	19.9
148.12003	0.2
149.13249	14.0
150.13594	0.3
151.11180	1.2
151.14862	0.7
153.12738	0.4
154.55341	0.2
155.08511	0.9
156.09352	0.3
157.04965	0.2
157.10109	5.7
158.10887	0.4
159.02876	4.9
159.06522	0.3
159.11678	18.7
160.12189	0.3
161.13235	20.4
162.13606	0.3
163.06015	3.0
163.11128	0.3
163.14804	9.6
163.16127	0.4
164.15097	0.3
165.01788	0.2
165.12692	1.5
165.16399	0.3
167.14310	0.3
169.04892	0.3
169.10089	1.3
171.06526	0.3
171.11655	5.1
172.12462	0.9
173.13235	13.9
174.13786	0.4
175.11136	0.2
175.14803	12.4
176.15131	0.4
177.03963	0.7
177.12918	0.6
177.16362	13.1
179.14221	0.3
179.17943	2.0
183.11620	1.4
184.12498	0.2
185.13232	4.7
186.13998	0.3
187.14809	12.5
188.15219	0.4
189.16359	14.2
190.16734	0.4
191.14290	0.9
191.17926	6.3
193.15906	1.2
195.11580	0.3
197.13249	1.5
198.72574	0.2
199.14816	5.7
200.15561	0.2
200.19550	0.2
201.16371	18.2
202.16777	1.1
203.17941	20.0
204.18369	0.9
205.15875	4.1
205.19490	3.8
207.17447	2.3
209.13322	0.3
211.13063	0.2
211.14713	1.6
213.16380	5.9
214.17171	0.3
215.17944	9.1
217.16046	3.6
217.19490	13.4
218.19757	0.3
219.17415	3.3
219.21072	0.8
221.19012	1.0
224.15685	0.2
225.16377	1.7
227.17920	7.6
228.18454	0.4
229.19498	9.3
231.17395	1.2
231.21039	1.8
233.19019	1.3
235.20557	0.4
237.16362	0.3
239.17889	1.3
241.19463	4.6
242.20081	0.3
243.21043	8.1
244.21474	0.3
245.19011	1.6
245.22673	0.9
247.20490	0.8
253.19356	1.9
255.08647	0.9
255.21053	7.0
256.21564	0.3
257.18732	0.3
257.19641	0.3
257.22629	6.0
258.22873	0.4
259.20554	1.2
261.22137	0.8
267.21045	1.9
269.06442	0.3
269.22598	7.9
271.20987	0.2
271.24078	2.1
273.09573	0.3
281.22641	2.0
283.24207	2.4
285.22153	1.1
287.07666	1.3
287.23441	0.2
293.22418	0.2
295.24301	1.8
297.25861	1.7
299.23425	0.3
305.08688	2.7
309.11826	1.2
309.25754	0.8
311.27289	0.9
313.25253	1.3
323.09659	0.5
323.27222	0.3
337.28946	0.3
339.09033	0.3
349.28717	0.7
363.30051	0.6
365.32007	7.9
366.32446	0.3
395.36942	0.3
403.33807	0.3
405.35120	24.6
406.35382	1.9
407.36282	0.4
421.34705	1.4
423.36172	100.0
424.36523	8.1
425.36896	0.2
441.37277	2.6
453.33972	0.2
493.36707	0.8
511.37906	3.3
512.38654	0.2
533.40076	0.5
551.40625	0.2
569.41504	0.3
581.38300	11.6
582.38788	0.9
599.39343	9.8
600.39716	1.2
614.36591	0.2
617.40460	0.4
669.39722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04394	2.7
79.05407	6.1
81.03330	1.3
81.06971	20.7
83.04900	9.8
83.08537	3.4
84.04443	0.4
84.08066	1.9
85.02824	56.5
85.06409	0.3
86.09636	1.9
87.04395	1.7
91.03888	4.4
91.05395	7.2
93.06968	17.0
95.01252	16.3
95.04910	2.6
95.08529	43.8
96.08871	0.6
97.02821	11.2
97.03454	0.4
97.06454	0.4
97.10100	3.2
99.00756	1.7
99.04377	1.3
101.02300	0.6
101.05933	0.4
103.03876	2.1
105.06258	0.6
105.06971	19.4
107.08535	29.9
109.02854	2.1
109.06474	1.6
109.10104	30.0
110.07124	2.4
110.10443	0.5
111.04383	5.6
111.08027	4.9
111.11672	1.7
113.02296	2.5
115.03890	4.7
115.05439	0.4
117.06945	2.3
119.08536	25.0
120.08056	1.3
120.08840	0.4
121.10097	24.0
122.10497	0.4
123.00743	0.6
123.08052	0.4
123.10737	0.4
123.11649	11.5
127.03890	3.1
129.05434	10.2
129.06969	1.0
129.10194	1.1
131.03381	1.1
131.08545	7.0
131.09479	0.3
133.04938	2.3
133.10094	23.9
135.11659	16.5
137.09598	0.4
137.13202	3.0
139.03897	0.6
139.11163	2.4
141.01801	33.8
142.02126	0.5
142.07773	0.4
143.08560	2.8
144.09253	0.5
145.04935	2.8
145.10100	13.3
147.06473	5.2
147.11667	19.7
148.12048	0.3
149.13228	12.8
151.11147	1.3
151.14783	0.6
153.12694	0.6
156.09286	0.3
157.10103	4.7
158.10863	0.3
159.02849	5.7
159.11655	15.5
161.13219	18.1
163.05972	3.4
163.11093	0.7
163.14778	10.3
163.16115	0.4
165.01866	0.4
165.07533	0.5
165.12715	1.3
165.16399	0.3
169.10023	1.1
171.11646	4.0
172.12422	0.4
173.13223	13.4
173.14658	0.5
175.14777	11.9
177.03926	1.3
177.12671	0.4
177.16351	12.4
179.17923	1.1
182.10931	0.3
183.11647	0.7
185.13216	3.6
187.14764	10.5
189.16339	12.7
191.14285	1.2
191.17934	5.0
193.15816	1.6
195.17473	0.5
197.13242	0.6
199.14746	3.6
201.16350	16.7
203.17931	19.7
204.18365	0.3
205.15860	4.3
205.19545	3.0
207.17381	1.9
211.14764	1.2
213.16325	4.9
215.17918	10.2
217.16016	2.1
217.19472	11.8
219.17383	3.5
219.20984	0.6
221.18961	1.7
223.14888	0.4
225.07581	0.4
225.16371	1.4
227.17877	5.9
229.19444	8.6
231.17360	1.1
231.21104	2.4
233.18983	1.7
239.17863	1.2
241.19449	3.8
243.08662	0.4
243.21049	6.5
245.18991	1.9
245.22620	0.4
247.20560	1.4
253.19469	2.2
255.08588	0.5
255.21008	5.7
256.21732	0.3
257.22589	4.3
259.20612	0.6
261.21954	0.4
267.21097	2.7
269.06430	0.4
269.22571	5.7
271.20657	0.4
271.24185	1.7
273.06168	0.3
273.09702	0.5
273.22244	0.5
279.10757	1.4
279.21060	0.3
281.22708	0.6
283.24152	1.9
285.21970	0.4
287.07547	1.2
291.07202	0.3
295.24261	2.3
297.25723	1.8
305.08505	2.2
309.08319	0.6
309.11771	1.5
309.25690	1.1
311.27194	1.0
313.25296	0.4
315.26804	0.4
321.08148	0.4
323.09698	0.4
335.27350	0.5
337.29068	0.3
339.09125	0.5
349.29044	0.6
363.30328	0.6
365.32010	6.5
383.32889	0.5
393.35120	0.3
403.33575	0.4
405.35077	22.0
406.35434	0.7
407.36615	0.4
409.34183	0.4
411.36096	0.3
421.34476	1.2
423.36133	100.0
424.36462	6.9
439.36096	0.3
441.37213	15.4
442.37500	0.5
522.24683	0.3
537.38971	0.5
555.40625	2.3
573.41498	1.1
581.38190	11.1
582.38715	1.1
599.39294	12.4
600.39722	0.4
667.98370	0.3
731.42511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
78.10223	0.5
79.05412	8.1
81.03316	2.6
81.06974	21.7
81.31773	0.5
83.01257	0.7
83.06019	2.6
83.08548	5.6
84.04432	7.6
84.07597	0.9
84.08072	19.8
85.02828	38.7
85.04749	0.6
85.08385	1.0
86.03126	0.6
86.09629	14.2
86.10116	1.0
87.04428	0.7
87.05531	1.2
88.03925	0.6
91.03883	12.8
91.05402	8.0
93.04459	2.3
93.06973	16.9
93.07516	1.0
95.01257	16.4
95.04899	2.5
95.08537	45.2
96.08828	0.6
97.02825	15.7
97.10098	3.4
99.00720	0.9
99.04398	1.4
101.02319	0.7
101.07076	1.0
102.05499	2.5
103.03876	2.3
103.05402	2.8
105.06975	19.9
107.08543	30.2
109.02859	2.5
109.06460	0.8
109.10104	31.3
110.07129	11.0
111.08053	3.3
111.11639	0.8
113.02318	2.4
113.07095	0.7
115.03915	1.1
115.08659	1.2
117.06908	1.7
119.08542	26.8
120.08072	15.6
121.08379	1.3
121.10099	25.6
123.00762	1.0
123.11657	13.4
125.09512	0.9
127.03881	7.8
127.04733	0.8
127.08634	1.0
129.06985	1.0
129.10210	11.5
131.03375	0.7
131.08543	7.6
133.10106	22.9
135.11671	22.1
136.07581	4.7
137.13254	3.7
139.11168	0.7
140.07051	0.6
141.01811	40.9
143.08565	2.4
145.04944	12.3
145.10115	16.4
147.11665	23.2
147.12775	1.1
149.13248	13.7
150.13669	0.8
155.08458	0.8
157.10098	5.7
159.02884	4.4
159.11670	18.5
161.11992	0.9
161.13237	19.8
163.05957	13.1
163.14783	8.9
165.12694	1.0
167.08131	0.7
169.09926	0.6
171.07605	0.7
171.11626	5.1
173.13222	13.9
175.14781	13.0
177.04019	0.9
177.16362	15.4
179.17902	1.0
183.11575	0.9
183.14940	0.7
184.07176	0.6
185.09129	0.8
185.13257	4.5
187.14786	11.7
189.16341	13.1
191.14378	0.7
191.17949	7.5
193.15991	0.7
197.13109	0.8
199.14792	5.8
201.12343	0.8
201.16356	16.8
203.17944	17.8
205.15862	3.5
205.19508	3.9
207.17395	1.4
213.16301	4.9
215.17928	8.6
217.15842	3.8
217.19478	11.0
219.17468	3.2
225.16306	1.0
227.17876	8.0
229.19470	7.0
231.17429	0.9
231.21075	2.7
239.17810	0.9
241.19458	5.4
243.21088	9.5
245.18965	1.3
247.20435	0.8
253.19434	2.2
255.20975	7.4
257.22592	5.3
259.20746	0.8
267.21002	1.3
269.22586	7.1
271.24149	1.1
281.22589	1.1
283.24115	1.4
295.24133	1.2
297.25888	1.0
321.08249	2.6
339.09213	0.7
360.05682	0.6
365.31888	7.2
405.35074	24.6
406.35342	1.3
423.36145	100.0
424.36542	6.9
441.37292	0.7
499.37979	4.3
581.38287	11.5
599.39288	10.5
1045.12146	0.7
1074.17676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1080.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
77.75004	1.4
80.04945	2.6
82.02842	3.2
82.06514	2.8
84.04420	20.6
84.08072	39.9
85.08411	2.3
86.09624	11.4
89.07070	7.1
91.05394	19.0
94.06474	1.8
97.07616	1.8
98.05974	3.1
99.05511	17.5
101.07069	1.9
101.10788	1.6
102.05469	3.2
104.05259	1.5
107.04919	3.7
108.04435	2.2
108.08063	1.4
109.86097	1.4
110.06006	1.8
110.07139	9.2
111.05523	1.4
111.93591	1.5
118.06466	5.7
119.04910	10.7
125.07080	6.1
127.08577	2.9
129.06609	1.9
129.10196	20.2
130.04997	6.2
130.06503	2.5
132.08063	2.6
135.06815	2.9
136.07558	100.0
137.07913	1.7
139.08669	2.5
141.10301	1.9
144.08055	5.7
146.05998	47.3
147.07629	2.5
152.08276	2.0
153.06567	2.7
153.10216	23.0
159.07857	1.9
159.09154	9.9
160.07559	1.7
163.08623	2.2
164.07008	2.7
167.11772	2.2
169.07578	2.9
170.06026	3.4
170.09264	1.7
172.07541	32.6
174.05432	2.8
181.06152	1.8
181.09747	12.5
185.05537	1.5
188.07033	31.6
192.10213	1.6
198.12372	9.9
200.07060	2.5
202.08530	1.7
205.09714	10.0
208.07254	1.9
208.10751	2.3
215.08331	1.7
216.60353	1.4
217.09721	31.5
217.13344	2.1
222.09302	1.5
227.08124	7.2
233.12851	27.2
236.10161	1.5
239.11681	1.6
245.12805	10.7
247.35025	1.7
261.12326	6.1
262.11749	3.3
265.13525	1.8
269.09296	1.9
270.12476	1.5
271.06042	2.6
273.12253	20.9
278.14941	22.5
279.11255	2.9
279.14508	2.1
301.11749	3.0
306.14545	3.5
307.14084	1.5
309.12198	8.1
311.13605	2.9
316.12952	2.6
316.16455	3.1
337.11856	11.3
338.12402	2.9
343.14075	3.4
344.15991	3.6
344.66000	1.8
371.16876	2.0
389.17868	2.8
425.18378	1.5
442.21042	3.2
470.20117	10.7
478.19571	2.0
498.19595	7.0
543.25385	2.4
571.24988	11.8
595.25079	2.7
599.24481	15.9
667.29077	2.1
696.29395	9.1
714.31238	1.7
730.31274	10.0
731.31647	2.0
757.32666	2.8
758.30939	7.0
775.33356	7.7
785.31622	9.5
803.33423	7.8
818.01251	1.9
831.36707	10.9
900.39044	11.1
975.03046	2.1
1063.45898	2.0
1080.46118	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	1083.535
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04385	0.2
77.68542	0.1
79.05403	0.7
81.03319	0.5
81.06970	1.3
83.04903	1.5
84.04414	0.2
84.08076	1.1
85.02831	7.3
85.06409	0.1
86.09646	1.0
91.03875	0.6
91.05410	1.0
93.06974	1.2
95.01257	2.3
95.04889	0.3
95.08538	2.3
96.23287	0.1
97.02857	1.1
97.10067	0.2
98.11806	0.1
99.00742	0.1
99.04387	0.3
105.06995	1.4
107.08548	1.6
109.02831	1.6
109.10110	1.5
110.07110	0.9
111.04413	0.8
111.08054	0.3
112.08725	0.1
113.02354	0.2
117.06943	0.2
119.08560	1.6
120.08060	1.2
121.10108	1.3
123.11639	0.2
125.09595	0.2
127.03885	100.0
128.04254	1.0
129.05452	1.1
129.10214	0.6
131.03400	0.2
131.08548	0.7
133.10077	1.2
135.11665	0.9
136.07573	0.3
137.09598	0.2
141.01805	4.1
141.02812	0.2
143.08566	0.2
145.04924	0.3
145.10127	1.3
147.06459	0.6
147.11662	1.4
149.13261	0.9
157.10120	0.7
159.02928	0.3
159.11682	1.1
161.13219	0.6
163.05983	0.3
163.11200	0.1
163.14781	0.3
165.12723	0.2
169.04976	0.2
171.11630	0.3
173.13254	0.8
175.14809	0.6
177.16341	0.3
184.07321	0.3
185.13219	0.2
187.14825	0.3
189.16304	1.0
197.13029	0.2
199.14778	0.3
201.16351	0.7
203.17978	0.5
205.15813	0.6
207.17372	0.2
211.14905	0.2
213.16431	0.2
215.14331	0.2
215.17961	0.2
217.15857	0.2
219.17487	0.3
221.99910	0.1
231.17444	0.2
261.18588	0.3
283.20386	0.1
283.65347	0.1
305.08749	0.2
409.34714	0.3
419.33090	0.3
425.34512	0.2
437.34103	2.3
455.35095	4.9
456.35107	0.2
473.36264	0.3
581.38220	1.0
613.36975	0.6
682.46619	0.2
702.12164	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	1083.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04395	4.1
77.03841	0.3
79.05408	7.5
81.03349	1.4
81.06978	20.4
83.01241	0.4
83.04899	6.9
83.05992	0.2
83.08566	2.4
84.04417	0.4
84.08070	2.2
85.02828	48.7
86.09647	1.7
87.04393	0.9
91.03889	3.0
91.05408	9.7
93.06973	18.5
94.07304	0.2
95.01258	11.3
95.01866	0.5
95.04897	2.3
95.08535	34.0
96.08872	0.3
97.02825	7.3
97.06467	2.0
97.10104	2.0
99.00752	1.2
99.04388	1.9
99.08062	0.3
101.02319	15.7
102.05495	0.4
103.03891	1.4
103.05401	0.4
105.04490	0.3
105.06978	27.3
107.08541	27.6
109.02837	2.4
109.06476	2.4
109.10108	21.7
110.07105	2.2
111.04394	4.5
111.08038	4.3
111.11716	0.4
113.02318	1.9
116.06214	0.3
117.06947	3.7
119.08539	30.4
120.08087	1.6
120.08870	0.3
121.06454	1.0
121.10103	18.5
123.00742	0.4
123.08013	1.6
123.11664	6.2
125.02322	0.2
125.09603	0.3
127.03880	100.0
128.04218	1.0
128.06218	0.9
129.05446	5.7
129.06937	2.3
129.10225	1.1
130.07770	0.9
131.03374	0.8
131.08539	13.4
133.10100	22.4
135.08022	0.9
135.11667	10.7
136.07518	0.2
136.12035	0.2
137.09578	0.4
137.13243	1.1
139.03871	0.4
139.11183	0.9
141.01811	21.7
141.06952	0.8
142.02132	0.2
142.07770	1.5
142.80806	0.2
143.08553	6.6
144.09315	1.2
145.04939	10.8
145.10106	19.5
147.06519	2.2
147.08015	0.3
147.11673	21.2
149.09572	1.0
149.13237	16.1
151.11214	0.8
151.14754	0.3
155.08517	2.7
156.09366	1.7
157.10097	11.7
158.10905	1.6
159.02861	3.0
159.11668	20.0
160.12183	0.3
161.09616	0.5
161.13228	16.0
163.05994	2.3
163.11168	1.0
163.14774	7.3
165.12738	0.4
165.16400	0.3
167.08403	0.3
168.09378	0.5
169.10088	3.9
170.10841	0.9
171.11652	8.4
172.12445	0.2
173.13228	19.7
174.13776	0.2
175.11159	1.2
175.14798	10.0
177.03906	0.3
177.12746	5.3
177.16331	5.0
179.14282	2.6
181.10104	1.1
182.10907	0.4
183.11656	4.7
183.14996	0.2
184.07321	0.2
184.12447	0.5
185.13232	6.7
186.13919	0.3
187.11188	0.4
187.14799	9.3
189.12717	2.1
189.16348	13.7
191.14273	4.0
191.15993	0.2
191.16302	0.3
191.17882	3.3
193.10109	0.2
193.15898	0.9
195.11711	1.9
196.12361	0.4
197.13228	4.4
198.13998	0.4
199.14813	7.8
201.12715	3.7
201.16360	10.9
201.18164	0.4
203.14299	7.6
203.17920	8.7
205.15855	4.5
205.19449	1.5
207.17377	4.1
207.19104	0.2
208.12372	0.3
209.13240	1.7
210.14168	0.3
211.14732	2.7
213.16342	6.8
215.14348	3.3
215.17918	4.6
217.15868	4.0
217.19362	1.5
219.17436	3.8
221.13271	0.3
223.14748	2.1
225.16333	2.7
227.14288	0.3
227.17873	2.9
229.15877	1.9
229.19481	2.1
231.17413	7.9
231.21007	0.3
233.18922	1.6
237.16336	0.4
239.17886	1.7
241.15833	2.8
241.19479	1.8
243.17371	3.2
243.21162	1.0
245.19005	1.2
249.16295	0.4
251.17934	1.5
253.19519	1.2
255.08641	0.4
255.17406	1.1
255.21146	1.5
257.18967	2.0
257.22711	0.4
259.20621	0.5
265.19473	1.0
267.20947	1.6
269.18942	1.7
269.22632	1.0
271.20621	1.7
273.09656	0.5
273.22284	0.3
279.21088	0.5
281.19034	0.4
281.22574	0.8
283.20612	2.0
283.23422	0.3
285.22144	1.0
287.07611	0.4
291.10785	0.3
293.22595	0.9
295.20599	0.3
295.24219	0.3
297.22159	1.0
299.23782	0.4
305.08728	0.5
307.24316	0.3
309.11743	0.3
309.21982	0.4
311.23688	1.3
323.23444	0.3
325.25229	1.3
335.27274	0.3
349.25275	0.3
361.28976	0.5
363.26822	0.4
365.19431	1.1
377.28351	1.2
379.29840	4.1
389.31693	0.3
391.33795	1.7
393.31250	0.4
401.31787	1.8
407.33014	4.1
409.34711	1.3
419.33017	25.1
420.33069	1.5
421.34509	0.4
437.34082	49.0
438.34439	3.1
455.35114	7.2
456.35187	0.3
551.37115	2.6
563.37183	4.9
564.37701	0.3
577.35205	0.9
581.38281	10.9
582.38574	0.4
595.36206	5.4
599.39294	0.8
600.37500	0.3
613.37372	2.0
631.37915	1.1
739.40021	1.3
1026.06665	0.3
1116.24219	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	1085.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04397	3.0
79.05408	2.9
81.03317	0.5
81.06973	9.3
83.04906	3.5
83.06003	1.7
83.08535	0.6
84.04413	2.8
84.08064	6.9
85.02826	28.3
86.09627	6.1
87.05539	0.5
91.03880	0.8
91.05389	4.0
92.10121	0.4
93.04449	0.9
93.06976	9.8
95.01263	6.3
95.04863	0.9
95.08540	14.7
97.02830	5.3
97.06470	0.6
99.04377	0.6
101.02315	15.7
103.05379	0.6
105.06973	10.9
107.08541	9.9
109.02836	2.7
109.10104	9.1
110.07111	6.8
111.04362	2.4
111.08039	2.1
113.02258	0.4
117.06950	0.8
119.08543	11.7
120.08051	4.5
121.10087	10.3
123.11657	2.9
125.09580	0.7
127.03873	100.0
127.94054	0.5
128.04234	0.9
129.05420	4.1
129.10220	2.8
131.03392	0.5
131.08527	4.7
132.25423	0.5
133.10092	8.8
134.40863	0.4
135.11644	6.5
137.09698	0.5
137.13194	0.5
141.01801	11.5
141.02809	0.7
143.08553	2.9
143.11757	0.8
145.04935	13.6
145.10106	10.2
147.06490	1.0
147.11652	8.1
149.13237	6.4
153.67769	0.4
156.09354	0.8
157.10115	3.7
158.10893	0.5
159.02876	0.8
159.11662	10.4
161.13234	7.2
163.05997	0.7
163.14786	2.7
171.11598	2.8
173.13203	6.1
175.14772	6.7
177.16331	3.6
183.11647	0.7
184.68367	0.4
185.13171	3.5
187.14732	4.2
189.16382	4.8
191.14229	0.5
191.17941	1.0
193.15799	1.7
197.13214	1.0
199.10896	0.4
199.14786	3.5
200.10400	0.4
201.16345	6.0
203.14281	1.0
203.17955	2.5
205.15814	3.5
207.17427	0.5
211.14861	0.6
213.16347	2.5
215.17876	3.8
217.15840	2.2
217.19475	0.8
219.17381	1.7
221.19028	0.5
227.17772	1.0
229.19591	0.9
231.17339	0.6
233.18965	2.7
235.11597	0.5
241.19485	1.1
243.17586	0.5
245.18987	1.8
253.19237	0.5
271.20648	0.7
285.22156	1.0
305.08624	0.7
310.54520	0.4
313.25085	0.5
381.31534	1.1
392.62259	0.5
403.33725	3.4
405.35214	0.6
409.34518	2.4
421.34552	12.6
422.34982	0.9
423.36127	2.2
439.35587	16.4
544.19171	0.6
547.37598	1.0
553.38867	0.5
565.38672	5.5
579.36951	0.7
583.39478	0.8
597.37427	2.9
615.38904	0.6
969.16937	0.5
975.29694	0.7
1063.64453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05408	5.2
79.42268	0.7
81.03322	1.0
81.06980	23.2
83.08545	3.9
84.04454	0.9
84.08077	4.0
85.02827	31.4
86.09635	2.0
91.03895	10.0
91.05411	8.9
92.10844	1.2
93.06992	17.0
95.01267	13.2
95.08538	44.4
97.02837	13.4
97.10100	2.0
101.02323	3.6
102.99760	0.8
105.06982	21.9
107.08550	36.3
109.02828	1.8
109.09401	1.3
109.10116	29.8
110.37477	0.7
110.56459	1.0
111.08044	1.5
113.02306	1.1
117.06915	1.1
119.08543	30.7
121.10101	27.7
123.07977	1.0
123.11650	9.0
127.03891	34.0
131.08549	5.8
133.10095	31.4
135.11665	27.8
137.13261	4.6
139.11151	1.8
141.01817	26.6
143.08606	2.0
145.04938	8.3
145.10141	10.3
147.11693	22.2
149.13234	11.8
157.10091	3.5
159.02875	3.2
159.11688	11.3
161.13235	23.3
163.05971	8.2
163.14772	6.3
173.13216	11.3
175.14790	15.3
177.16347	9.9
185.13258	1.7
187.14796	10.7
189.16328	13.5
190.16524	1.0
191.17966	8.2
193.15797	0.9
199.14792	3.3
201.16338	10.8
203.17950	26.2
205.19405	1.1
207.17465	1.2
213.16376	4.0
215.17972	5.5
217.19504	13.3
223.07544	0.8
227.17964	4.7
228.18745	3.5
229.19499	14.6
255.21025	1.5
257.22574	1.6
269.22687	1.7
365.32037	4.1
393.34732	1.4
405.35034	9.8
423.36166	100.0
424.36349	5.8
441.37473	8.8
549.39093	4.7
567.40289	5.7
581.38568	6.2
599.39417	17.1
617.40466	1.8
787.39575	1.1
916.97180	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04390	0.7
79.05410	7.7
80.04859	0.3
81.03355	0.5
81.06979	20.0
82.07309	0.4
83.04905	8.2
83.06034	0.6
83.08549	4.0
84.04435	4.0
84.08067	16.7
85.02831	32.5
85.08402	0.7
86.09628	11.3
87.04401	0.7
87.05515	0.9
87.09992	0.5
88.03916	0.8
91.05403	8.4
93.06975	15.3
95.01266	10.6
95.04904	2.8
95.08537	44.0
96.08860	0.5
97.02235	0.6
97.02831	9.1
97.10105	2.4
99.00762	0.9
99.04396	0.5
101.02361	0.5
101.07083	0.4
102.05499	0.9
103.03901	1.6
103.05402	1.3
104.05253	0.4
105.06984	20.9
107.04913	0.4
107.08545	29.6
108.08881	0.5
109.02813	0.5
109.06472	1.6
109.10115	29.9
110.07140	3.1
110.09686	0.5
111.04402	5.5
111.08038	3.5
111.11662	1.5
112.08692	1.3
113.02321	1.9
113.07124	0.5
115.03895	4.1
115.08681	1.4
117.06964	2.0
119.08538	26.7
120.08067	9.3
120.08890	0.4
121.10106	24.2
123.08031	0.6
123.11664	12.2
124.07516	0.3
127.03860	1.5
129.05464	5.6
129.06949	0.7
129.10211	11.3
130.07706	0.3
131.03384	2.3
131.08542	6.6
133.04965	0.7
133.10103	21.5
135.11670	16.5
136.07558	2.8
137.13200	2.9
138.12627	0.4
139.03914	0.9
139.11200	1.9
141.01813	23.6
141.10199	0.6
143.08557	2.2
144.09229	0.4
145.04991	0.4
145.06171	0.5
145.10110	13.9
146.10669	0.4
147.06505	1.7
147.11679	19.3
148.11995	0.6
149.13245	14.4
151.11151	0.8
151.14793	0.6
155.11768	0.7
157.04865	0.4
157.10030	4.2
158.10915	0.5
159.02866	2.7
159.11662	14.9
161.13232	19.4
163.11128	0.5
163.14804	9.4
165.12759	1.7
169.09990	1.5
171.06526	0.5
171.11679	5.0
172.12411	0.5
173.13232	11.3
175.14787	12.4
177.16376	11.4
179.18005	0.9
183.11618	1.5
183.14935	0.4
184.07388	0.4
185.13173	3.7
187.14804	9.9
189.16362	11.2
191.17923	5.2
193.15915	0.8
195.11418	0.5
197.13177	2.0
199.14795	6.1
201.12344	0.9
201.16364	15.7
203.14203	0.4
203.17932	18.1
205.15837	3.9
205.19496	3.2
207.17415	1.6
211.14726	1.7
213.16331	4.0
215.17955	6.8
217.14001	0.5
217.16023	3.1
217.19479	14.8
219.15514	0.5
219.17371	3.1
219.20894	1.1
225.07587	1.9
225.16322	1.6
227.17896	6.1
229.19487	8.4
231.17374	1.4
231.21071	2.4
233.18993	0.7
239.17969	1.7
241.19522	4.7
243.08574	0.8
243.21011	7.1
245.19026	1.7
245.22743	0.8
247.20711	0.5
253.19479	1.6
255.21016	6.3
256.16644	0.5
257.22604	5.5
259.20541	0.8
261.22018	0.6
267.21060	0.8
269.22577	5.8
271.24124	1.6
279.10745	1.8
281.22733	1.5
283.24216	2.2
285.22076	0.5
285.25696	0.6
295.24191	2.3
297.25681	0.6
305.08707	2.3
309.25665	0.8
311.27164	0.6
313.25201	0.6
323.09460	0.4
335.27332	0.6
355.16373	0.4
365.32007	7.1
393.35388	0.5
403.33408	0.6
405.35120	20.3
406.35461	0.7
407.36646	0.5
421.34454	0.5
423.36169	100.0
424.36536	5.6
441.37070	2.5
553.38696	2.4
555.40137	0.5
569.41669	0.5
581.38300	11.2
599.39441	9.2
1036.41235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04395	2.6
79.05415	7.6
81.03365	2.3
81.06979	22.3
83.08549	5.5
85.02833	48.0
85.32364	0.3
86.03152	0.5
87.04398	0.5
91.03883	13.8
91.04456	0.4
91.05409	7.7
93.06978	20.5
95.01263	15.8
95.04893	1.5
95.08537	48.5
96.08872	0.5
97.02829	17.1
97.03458	0.6
97.06476	0.3
97.10104	3.5
99.00751	1.5
99.04412	2.8
101.02319	28.6
103.03883	1.4
105.06980	23.6
107.08543	35.6
108.08885	0.6
109.02832	2.2
109.06486	1.4
109.10112	34.4
110.10450	0.3
111.08022	4.7
111.11674	1.7
112.35687	0.4
113.02328	3.1
115.03859	0.4
117.06985	2.9
119.08543	29.6
121.10104	27.1
122.10439	0.3
123.00713	0.5
123.08003	0.5
123.11660	14.2
125.09634	0.3
127.03882	57.4
128.04259	0.3
129.06947	0.8
130.07748	0.5
131.03369	0.8
131.08542	8.2
133.10104	27.0
135.11659	18.1
137.13226	3.9
139.11197	1.4
141.01816	36.2
142.02127	0.3
142.07780	0.7
143.08525	3.9
144.09380	1.3
145.04947	40.4
145.10103	15.6
147.11676	22.4
148.11974	0.4
149.09630	0.4
149.12044	0.6
149.13239	16.8
151.11185	1.7
155.08591	0.4
156.09381	0.4
157.10112	5.9
158.10870	0.8
159.02859	4.4
159.11676	20.6
160.12315	0.4
161.13232	17.7
162.13536	0.4
163.05984	10.9
163.14806	8.7
165.12653	1.2
169.10112	0.8
170.10902	0.4
171.11690	5.5
172.12428	0.5
173.13235	12.9
173.14667	0.6
174.13768	0.4
175.14793	13.9
177.03963	0.7
177.16353	14.0
178.16701	0.6
179.17926	2.0
183.11710	0.7
185.13229	3.7
186.13857	0.3
187.14790	10.6
188.15276	0.4
189.16356	13.0
191.14302	0.7
191.17938	6.7
193.15880	1.7
195.11685	0.4
197.13243	1.8
199.14789	4.8
201.16376	19.7
202.16779	0.5
203.17943	17.6
204.18268	0.5
205.15919	4.2
205.19514	4.0
207.17435	2.0
211.14830	0.6
213.16304	3.9
214.16588	0.4
215.17934	10.5
216.18369	0.4
217.16154	2.8
217.19511	15.0
219.17421	3.1
219.21082	1.2
225.16425	0.6
226.16957	0.3
227.17918	7.4
229.19504	8.5
231.20987	2.7
233.19038	0.4
235.20593	0.4
239.17964	0.6
241.19424	3.8
243.21063	5.3
245.18987	1.9
245.22581	0.4
253.19484	1.6
255.21045	5.6
257.20007	0.4
257.22595	4.2
259.20605	0.6
267.21036	1.9
269.22668	5.6
271.24213	0.8
281.22617	1.3
283.24176	2.5
285.22104	0.6
285.25284	0.4
287.23782	0.3
295.24170	1.7
297.25745	2.1
303.06903	0.4
309.25754	1.2
311.27286	1.5
313.25253	1.4
321.08102	2.3
349.28824	0.6
363.30350	0.5
365.32053	6.9
393.35333	1.3
405.35126	26.6
406.35431	1.8
407.37085	0.4
423.36154	100.0
424.36438	8.5
441.37122	3.1
509.37372	0.4
549.39215	2.0
567.40356	5.5
568.40460	0.5
581.29578	0.6
581.38281	12.9
582.38800	1.2
599.39398	10.3
600.39587	0.5
617.40588	0.5
725.42853	1.2
743.42999	0.4
789.45673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04390	4.0
79.05396	13.2
81.03317	2.0
81.06975	32.8
82.06470	2.2
83.04887	15.0
83.06001	8.9
83.08543	4.9
84.04432	37.0
84.08072	100.0
85.02352	3.3
85.02828	75.1
85.08395	2.6
86.09636	57.9
87.05508	5.3
87.09949	1.9
88.03894	11.5
91.03869	3.1
91.05418	27.5
93.04440	3.6
93.06966	30.0
95.01261	16.3
95.04897	4.6
95.06013	2.2
95.08536	52.9
96.04420	2.1
97.02831	16.4
99.05468	2.2
101.02304	13.3
101.07078	4.6
102.05466	9.4
103.05386	8.6
105.06981	35.1
107.08546	53.4
109.02840	2.6
109.06430	2.3
109.10125	41.0
110.07131	28.1
111.04373	4.8
111.08020	5.2
111.09173	2.3
112.08650	3.0
113.45068	2.1
115.03892	2.1
115.08672	7.7
119.04885	5.0
119.08551	42.5
119.09358	3.7
120.08066	67.2
121.10105	52.2
123.11642	12.2
125.02215	2.1
126.16809	2.2
127.03870	34.4
127.04840	6.0
127.63666	2.2
129.05429	13.7
129.06395	1.9
129.10207	54.7
130.06575	2.3
131.08505	12.6
133.10094	36.9
135.11662	27.3
136.07564	29.8
139.05017	2.8
141.01816	35.2
141.10217	4.9
143.11745	3.1
145.04927	9.8
145.06044	2.4
145.10072	23.7
147.06534	2.6
147.11661	36.2
149.13220	14.3
153.10234	3.0
155.08224	2.4
155.11736	5.0
157.09995	11.5
159.11646	27.1
161.13219	21.2
163.05992	2.6
163.14798	14.8
169.09756	5.1
171.07658	3.0
171.11597	9.3
173.05533	3.0
173.13202	22.1
175.14806	35.4
177.10245	3.0
177.16386	20.1
183.11368	3.6
184.07205	3.2
185.09193	2.8
185.13185	4.5
187.14790	20.7
189.16415	16.7
189.34000	2.1
191.17949	14.1
197.13008	4.4
199.14706	10.2
201.16307	20.6
203.17928	17.4
205.15852	11.4
213.08742	2.6
213.16328	4.7
215.14050	2.5
215.18016	18.2
217.08250	3.0
217.19513	10.2
219.17395	42.2
225.16309	3.0
227.17963	3.1
229.11623	2.5
229.19493	9.2
241.19449	2.7
243.20992	3.6
249.11996	3.3
253.19449	2.7
255.20972	5.0
283.24066	2.4
405.34933	11.5
421.34531	37.7
423.36179	46.2
424.36218	3.4
439.35614	43.7
457.36627	12.1
540.67865	2.8
565.38715	3.8
579.36621	3.1
868.95532	3.0
881.02136	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	1085.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04385	2.0
75.57962	0.3
77.03871	0.3
79.05408	6.4
80.74291	0.3
81.03341	0.4
81.06506	0.7
81.06974	19.8
83.04897	8.3
83.08544	3.8
83.40640	0.3
84.04456	0.7
84.07659	0.3
84.08060	2.7
85.02828	45.0
86.03159	0.3
86.09635	1.4
87.04393	1.2
90.85080	0.3
91.03882	3.5
91.05402	8.1
93.06972	16.3
95.01257	11.7
95.04903	1.9
95.08533	41.4
96.08868	0.5
97.02821	6.8
97.10100	2.7
99.00754	0.7
99.04399	0.6
101.02312	0.6
103.03932	0.8
103.05395	0.5
105.06976	19.9
107.08539	29.9
108.08840	0.7
109.02850	0.6
109.06474	1.5
109.10107	28.1
110.07124	1.3
110.10436	0.4
111.04385	4.8
111.08034	4.9
111.11664	1.9
112.15549	0.3
113.02323	2.2
115.03851	0.4
117.06973	1.7
119.08535	23.7
120.08065	2.1
121.10099	22.9
123.07983	0.4
123.11655	12.2
124.12089	0.4
125.09571	0.4
127.03867	3.1
129.05444	8.6
129.06921	0.7
129.10202	1.7
131.03378	1.4
131.08537	7.1
133.10098	19.0
135.11665	16.3
135.12682	0.7
136.07559	0.6
137.09595	0.3
137.13210	4.1
139.11188	1.7
141.01807	26.5
142.02084	0.5
143.08549	2.9
145.04915	2.5
145.10092	13.5
145.65732	0.4
147.06520	4.0
147.10484	0.7
147.11665	20.5
149.13237	12.9
150.13586	0.5
151.11143	0.7
151.14865	0.5
153.12640	0.4
157.10100	4.7
158.10880	0.4
159.02834	3.7
159.11668	17.2
159.13031	0.6
160.12213	0.4
161.13231	17.2
162.13623	0.5
163.05965	3.3
163.11107	0.4
163.14778	9.1
165.12708	1.3
169.10062	0.7
171.11682	4.3
172.12303	0.5
173.13226	11.0
175.14798	11.4
177.03856	1.1
177.16341	11.7
177.17882	0.5
179.17914	0.5
183.11671	1.4
185.13205	3.8
187.14784	11.1
189.16341	12.3
189.24913	0.4
191.14320	0.5
191.17905	5.6
192.18221	0.4
193.15892	1.3
197.13245	0.7
199.14803	5.0
200.15515	0.4
201.16348	17.8
201.18164	0.6
202.16704	0.5
203.17929	18.3
204.18362	0.7
205.15862	4.2
205.19472	3.0
207.17409	1.4
211.14806	0.6
213.16359	4.4
215.17920	8.1
217.16055	2.5
217.19484	9.8
218.19843	0.4
219.17384	2.7
219.21165	0.7
221.18936	0.5
225.16389	1.4
227.17923	5.6
228.18549	0.7
229.19473	8.5
231.17381	0.4
231.21040	1.8
233.19057	0.7
239.18016	1.4
240.18115	0.4
241.19464	4.0
243.21034	7.5
245.18939	1.6
245.22826	0.5
247.20644	1.2
253.19441	1.8
255.08606	0.5
255.20979	5.0
257.22626	4.9
259.20718	0.5
261.21985	1.0
267.21014	2.0
269.22571	6.3
271.24225	1.6
281.22595	0.7
283.24231	1.7
285.22156	0.6
287.07462	0.6
295.24173	1.7
297.25793	1.5
305.08661	2.4
309.11917	0.6
309.25763	0.5
311.27371	0.6
313.25348	0.7
323.09781	0.4
335.27179	0.4
339.08997	0.4
365.32016	5.9
394.52771	0.4
403.33356	0.4
405.35083	21.2
406.35678	2.0
407.36493	0.4
421.34650	0.6
423.36142	100.0
424.36469	10.7
441.37064	6.1
560.72443	0.4
565.38611	1.6
581.29645	0.7
581.38306	12.3
582.38696	0.7
583.39734	1.9
599.39331	8.7
600.39722	1.4
741.41962	0.6
766.88794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04400	2.8
79.05411	7.2
81.03333	0.8
81.06979	25.5
83.01263	0.7
83.04911	10.2
83.08527	5.4
84.04429	0.8
84.08066	7.5
85.02832	51.7
86.09649	5.0
87.04441	0.8
88.03925	0.6
88.64856	0.5
91.03883	4.9
91.05408	9.5
93.06981	20.5
95.01265	12.7
95.04904	1.4
95.08537	55.8
96.08900	0.7
97.02828	7.2
97.10092	4.3
99.04382	1.5
101.02327	3.5
101.05966	0.6
101.07124	0.7
103.03867	2.4
103.05394	0.9
105.06982	23.1
107.08546	33.9
108.75051	0.6
109.06519	0.9
109.10115	33.3
110.07116	2.2
111.04385	6.0
111.08051	5.0
111.11671	1.5
113.02348	1.2
117.06973	2.9
119.08544	27.8
120.08064	3.2
121.10109	28.5
123.07988	0.6
123.11663	14.2
127.03906	6.2
129.05463	7.2
129.10167	4.3
131.03421	1.1
131.08525	7.6
133.09099	0.9
133.10095	27.9
135.11668	19.6
136.07643	0.9
136.11990	0.7
137.13268	4.0
139.11176	2.8
141.01813	30.4
143.08546	3.7
143.24814	0.6
145.04980	4.9
145.10118	15.7
147.06506	3.9
147.11674	25.5
149.13257	14.1
157.10097	5.3
158.10933	0.8
159.02863	3.8
159.11665	18.2
160.12070	0.9
161.13228	20.3
162.13493	0.7
163.06050	4.2
163.11195	0.7
163.14784	9.2
165.12732	1.2
167.14345	0.8
170.10910	0.7
171.11649	5.6
173.13232	13.0
175.14777	14.0
177.12791	1.0
177.16370	13.8
179.17937	1.1
183.11633	0.8
184.12387	0.8
185.13246	4.1
187.14789	13.1
189.16338	11.7
191.17963	6.5
193.15981	0.8
197.13158	0.8
199.14732	5.0
201.16365	18.5
203.17937	20.0
205.15814	4.3
205.19498	3.8
207.17410	1.5
211.14755	1.1
213.16353	5.5
215.17924	9.4
217.15872	2.5
217.19478	10.6
219.17415	3.3
219.21078	0.7
221.18958	0.9
227.17937	6.6
228.18414	0.7
229.19481	9.4
231.17432	1.1
231.20985	0.7
233.18997	1.3
239.17874	1.5
241.19441	5.4
243.21043	7.6
245.18929	1.2
245.22673	0.7
247.20547	0.9
253.19353	1.0
255.21048	5.8
257.22501	5.9
259.20615	1.0
261.22055	0.9
267.20917	1.3
269.06723	0.8
269.22598	7.4
271.24072	1.2
279.21265	0.7
281.22546	0.9
283.24060	1.1
285.21869	0.7
287.07718	0.8
295.24167	2.9
297.25720	2.3
305.08731	2.4
309.11734	0.8
309.25919	0.8
365.32019	8.3
405.35083	22.2
406.35114	1.2
407.36481	1.0
421.34860	0.8
423.36166	100.0
424.36478	9.1
441.37189	6.0
442.37805	0.7
525.74066	0.6
565.38745	1.0
581.38330	10.5
583.39642	1.4
599.39337	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	1085.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04404	1.9
79.05398	9.2
81.03323	1.2
81.06980	30.8
83.04900	11.7
83.06029	3.3
83.08545	4.9
84.04427	8.7
84.08072	33.4
85.02834	64.1
85.08377	1.6
86.09628	16.7
87.04391	1.8
87.05524	1.7
88.03939	1.7
91.03879	4.1
91.05415	16.3
93.04466	1.6
93.06980	24.8
94.26347	0.8
95.01265	18.0
95.04916	3.6
95.06008	0.9
95.08541	57.2
96.08045	1.0
96.08815	0.8
97.02830	26.9
97.10133	1.8
98.05959	1.5
99.04387	1.9
102.05475	3.3
103.03846	1.0
103.05400	4.7
105.06985	27.2
107.08545	38.6
108.08894	1.0
109.02873	1.3
109.06473	1.2
109.10114	42.6
110.07119	16.1
111.04388	6.3
111.08030	5.6
111.11710	1.3
112.08679	1.0
113.02352	3.8
115.03882	5.0
117.06995	1.8
119.04956	0.9
119.08551	36.0
120.08070	26.8
121.08376	1.6
121.10111	29.8
123.11679	16.5
125.02320	2.0
127.03883	4.9
127.04981	1.1
129.05429	9.6
129.10219	19.2
131.08531	9.4
133.10103	34.3
135.11673	26.4
136.07552	11.9
137.13229	5.0
139.11194	2.0
141.01810	30.1
141.10231	1.5
143.03391	11.7
143.08546	4.1
143.11737	1.2
145.04953	1.5
145.10115	17.2
147.06523	4.0
147.11679	30.7
149.13257	19.3
151.11232	1.6
155.08191	1.2
157.10065	5.0
159.02853	3.7
159.07719	1.1
159.09138	1.4
159.11668	20.7
161.13231	22.7
163.05997	1.5
163.14824	11.1
165.12721	1.4
167.08167	0.9
169.09775	1.3
171.11681	6.3
173.13211	13.9
175.14793	18.0
177.10251	1.4
177.16338	13.9
183.11479	1.6
185.09212	1.9
185.13251	4.3
187.14726	13.6
189.16345	15.7
191.17924	6.2
199.14769	5.8
201.16354	16.0
203.02245	1.1
203.17937	19.2
205.15848	4.6
205.19478	2.0
207.17407	5.8
211.14864	1.2
213.08649	1.5
213.16385	4.6
215.17905	9.3
215.52504	1.0
217.16002	1.4
217.19502	17.2
219.01869	1.1
219.17456	4.3
219.20946	1.0
227.17935	6.5
229.19475	12.3
231.21115	1.5
241.19423	3.9
243.20988	7.0
245.18993	1.0
253.19489	1.3
255.21036	5.9
257.19122	0.9
257.22626	5.6
269.22516	7.6
271.24084	1.6
281.22485	1.1
283.24197	1.8
295.24191	1.7
297.25845	2.0
305.08630	1.7
345.16513	0.9
365.31964	6.2
405.35083	24.8
407.36694	1.3
423.36163	100.0
424.36331	4.5
441.36954	3.9
565.38690	1.4
581.38177	13.1
599.39294	6.4
790.25665	0.9
854.64966	1.2
859.06921	1.0
960.08136	1.0
977.42664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
75.71520	1.7
79.05025	1.9
79.05426	11.9
81.03341	3.4
81.06988	39.8
83.04916	10.7
83.06012	4.5
83.08545	3.2
84.04446	12.2
84.08083	30.6
85.02841	56.5
85.08401	2.4
86.09631	20.8
88.70572	1.9
91.03896	3.0
91.05428	16.8
93.04408	2.8
93.06971	29.3
95.01276	13.5
95.04918	4.6
95.05993	2.4
95.08540	59.3
97.02846	23.5
97.10120	2.1
101.07133	1.8
102.05498	2.9
103.05405	2.3
104.10701	4.2
105.06992	47.9
107.08544	44.8
109.02841	11.6
109.06518	7.2
109.10123	31.8
110.07120	27.0
111.04400	4.0
111.08060	2.7
115.03894	1.9
115.08660	2.0
117.07000	2.8
119.08549	51.3
120.08076	12.5
121.10117	29.6
123.08072	2.2
123.11674	12.2
127.03853	8.9
127.08661	2.3
127.62182	1.9
129.05420	8.2
129.06847	2.7
129.10231	15.0
130.07736	2.0
131.08566	17.1
133.10112	32.5
134.10365	1.7
135.11710	15.8
137.13240	2.8
139.03722	1.7
141.01839	34.7
142.07751	1.9
143.08569	7.7
145.04959	2.1
145.10104	28.2
147.06557	3.9
147.11662	32.6
148.12032	2.1
149.09711	2.0
149.13243	26.6
155.08296	2.2
157.10092	18.2
159.02908	2.3
159.11646	34.3
161.13231	26.5
163.14749	10.6
169.10049	8.1
169.44746	2.0
171.11658	16.4
173.13223	32.7
175.14787	15.9
177.12759	7.0
177.16376	8.0
179.14279	3.8
183.11615	8.2
185.13258	9.6
187.14781	13.8
188.15213	1.9
189.12637	2.6
189.16350	19.6
191.14264	2.6
191.17960	3.7
195.11598	2.7
197.13266	4.3
199.14857	12.6
201.12747	3.8
201.16391	14.8
203.14314	10.5
203.17978	12.0
205.15918	4.3
205.19450	2.4
207.17465	8.5
209.13237	2.5
211.14529	2.1
213.16380	14.0
215.14328	8.9
215.17943	7.3
217.15883	4.1
219.17380	7.6
229.15898	2.2
231.17429	8.0
239.18031	2.5
243.17331	4.5
257.18948	2.2
271.20743	2.7
283.20505	2.7
297.21967	2.1
305.08710	2.8
311.23819	2.3
379.29932	8.3
391.33417	3.7
407.32968	2.8
409.34613	2.7
419.32986	45.8
420.33118	2.6
421.34683	3.2
437.34122	100.0
438.34335	7.9
455.34918	10.9
463.90286	2.0
595.35883	12.4
613.36908	3.1
708.63831	2.2
870.42920	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	1087.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03828	0.3
79.05411	9.6
81.03345	1.5
81.06976	30.6
82.07312	0.2
83.01284	0.3
83.04900	11.1
83.08537	7.0
84.04438	0.4
84.08068	1.1
85.02827	57.0
85.10110	0.2
86.03179	0.4
86.09627	1.7
87.04398	1.0
89.02294	0.4
91.03880	3.7
91.05401	11.3
92.05692	0.2
93.06973	24.4
94.07301	0.3
95.01257	13.7
95.04900	3.3
95.08533	63.2
96.08863	0.8
97.02824	8.2
97.06450	0.9
97.10102	4.1
98.05997	0.2
99.00738	1.8
99.04385	1.0
99.08015	0.2
101.02318	0.9
101.05954	0.9
103.03872	4.3
103.05433	0.8
105.06974	32.1
106.07289	0.3
107.04863	0.2
107.08539	44.2
108.08920	0.9
109.02836	2.8
109.06471	2.4
109.10108	43.4
110.07116	1.8
110.10427	0.8
111.04388	6.3
111.08031	5.8
111.11651	2.3
113.02318	3.0
113.05969	0.4
115.03926	0.3
115.05462	0.3
117.06956	2.9
119.08538	38.4
120.08059	1.3
120.08830	0.7
121.10098	33.9
122.10448	0.3
123.00745	0.8
123.04304	0.3
123.08031	1.1
123.11657	17.7
124.12054	0.3
125.09563	0.8
125.13284	0.3
127.03876	5.7
128.06250	0.3
129.04483	0.3
129.05449	9.2
129.06927	1.9
129.10242	0.8
130.07735	0.2
131.03363	1.3
131.08540	11.2
132.09177	0.3
133.10097	34.9
134.10439	0.3
135.08142	0.3
135.11661	24.5
136.11998	0.4
137.09605	0.3
137.13240	4.8
139.03867	0.7
139.11153	2.2
141.01807	28.6
142.07805	0.8
143.08548	4.3
144.09361	1.4
145.04942	5.4
145.10104	20.3
146.10609	0.5
147.06487	3.2
147.11670	29.6
148.12024	0.4
149.13240	19.0
150.13625	0.3
151.03943	0.2
151.11195	1.5
151.14810	1.2
153.05475	0.3
153.12712	1.0
155.08531	1.1
156.09285	0.8
157.04904	0.4
157.10114	6.8
158.10878	1.4
159.02853	4.5
159.11662	23.5
160.12378	1.0
161.13225	27.1
162.13594	0.4
163.05986	3.1
163.11163	0.8
163.14790	12.1
165.07603	0.2
165.12714	1.6
165.16389	0.3
167.08322	0.2
167.14209	0.2
169.04915	0.3
169.10086	1.0
170.10930	0.4
171.06540	0.4
171.11667	6.7
172.12393	1.0
173.13228	16.2
174.13795	0.3
175.14790	18.9
176.15195	0.4
177.03934	1.1
177.12770	1.0
177.16356	16.8
178.16673	0.4
179.14336	0.8
179.17900	2.5
181.10098	0.2
183.11665	1.6
184.12425	0.3
185.13222	5.5
185.14789	0.3
186.13916	0.9
187.14787	13.3
188.15230	0.4
189.12708	0.3
189.16345	15.6
190.16803	0.3
191.14304	1.2
191.17914	7.6
192.18277	0.3
193.15829	1.8
195.11658	0.2
195.17471	0.5
197.13239	2.2
198.13979	0.4
199.14780	8.1
200.15387	0.3
201.16354	21.4
202.16716	1.0
203.17929	20.9
204.18272	0.4
205.15866	5.8
205.19492	5.2
207.17403	2.8
209.13258	0.3
211.14851	1.8
212.15515	0.2
213.16351	6.1
214.16780	0.4
215.14720	0.3
215.17946	10.4
216.18350	0.2
217.16003	4.8
217.19478	15.3
218.19812	0.8
219.17444	3.9
219.20911	1.4
221.18982	1.0
225.16283	1.8
227.17915	7.5
228.18524	0.9
229.19469	10.2
230.19830	0.4
231.17412	1.7
231.21025	3.6
233.18895	1.5
237.16432	0.4
239.17955	2.1
240.18794	0.2
241.07153	0.3
241.19446	5.4
242.20114	0.3
243.21011	7.3
245.18959	2.3
245.22597	1.2
247.20490	0.5
251.17863	0.2
253.19444	1.8
255.08533	0.8
255.21039	7.7
257.22562	6.9
259.20398	1.7
259.24329	0.4
261.22116	0.9
267.20935	1.7
269.06552	0.3
269.22586	6.5
270.22760	0.3
271.20532	0.9
271.24191	2.3
273.22110	0.8
281.22568	1.5
283.24176	2.6
285.22119	1.1
285.25516	0.6
287.07507	0.4
287.23923	0.2
295.24155	2.4
297.25681	1.4
299.23749	0.4
305.08649	2.4
309.11801	1.1
309.25656	0.8
311.27313	1.2
313.25327	1.7
313.28564	0.2
323.09818	0.8
323.27313	0.9
327.26648	0.3
329.28546	0.2
335.27258	0.4
339.09161	0.2
349.28976	0.4
351.30609	0.3
363.30453	1.2
365.31958	8.7
366.32370	0.5
373.07532	0.3
381.31693	0.3
383.33200	0.3
393.35196	0.8
395.36545	0.3
403.33801	0.4
405.35077	22.2
406.35324	1.4
407.36642	1.1
421.21878	0.2
421.34567	1.1
423.36145	100.0
424.36462	6.8
425.36694	0.2
441.37231	5.3
493.37134	0.4
511.37418	2.0
549.15271	0.2
551.40814	0.3
569.41998	0.3
581.38269	10.4
582.38245	0.3
599.39349	10.5
599.49170	0.4
600.39514	1.0
617.40375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5671
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05387	12.7
81.06973	23.7
83.04910	12.1
83.06011	3.3
84.04433	34.8
84.07596	6.1
84.08061	95.3
84.08527	5.7
85.02824	92.7
86.09625	64.2
86.36094	2.9
87.09967	3.9
88.03916	3.5
91.03837	3.1
91.05392	19.5
93.06965	18.6
95.01267	15.0
95.04893	5.2
95.08525	56.7
96.08892	3.2
97.02837	13.6
97.10098	3.7
103.05401	6.5
105.06984	28.9
107.08540	32.9
109.10089	31.2
110.07093	21.8
110.09594	2.6
111.04371	5.6
115.03844	3.6
115.08649	3.1
119.08530	31.6
120.08055	68.9
121.08400	3.0
121.10105	33.0
123.11655	15.1
127.03878	11.8
129.05444	6.1
129.10201	63.2
130.04945	3.8
131.08530	3.7
133.10060	21.6
135.11652	19.2
136.07570	20.3
137.13220	3.5
141.01787	31.5
143.08502	3.3
143.11742	4.8
145.04936	6.4
145.10068	13.7
147.11664	22.3
149.13234	17.0
150.71353	3.4
155.11711	3.6
157.09929	13.2
159.11694	24.2
161.13281	26.6
163.14842	4.2
171.11612	3.8
173.13185	16.2
175.14807	13.7
177.16327	12.9
181.06090	3.6
184.07277	5.6
185.09325	3.1
187.14783	6.8
189.16379	16.8
190.16714	4.0
201.16330	16.0
203.17915	25.2
205.15865	4.9
215.17978	11.6
217.19424	6.1
219.17453	4.6
227.17957	5.0
229.19437	5.0
243.20898	4.2
244.80240	3.2
255.20924	4.9
257.22525	3.8
269.22647	3.3
280.34741	3.3
308.09821	3.2
365.31604	5.2
405.35144	27.5
423.36105	100.0
424.36481	23.3
522.02057	3.6
527.45984	3.1
581.38550	11.3
589.97607	4.0
599.38910	15.1
1098.17725	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	1087.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05412	6.3
81.06970	18.8
83.04897	8.2
83.08539	3.8
84.04438	6.0
84.08064	20.3
85.02827	100.0
85.08379	1.0
86.03114	0.8
86.05939	0.7
86.09630	14.4
86.21806	0.6
87.05553	0.8
88.03934	0.8
91.03889	1.7
91.05412	7.5
93.04496	0.8
93.06982	15.8
95.01253	10.6
95.04919	1.5
95.08528	36.9
97.02834	5.5
97.10096	1.4
99.04358	0.7
101.07085	1.0
102.05444	1.1
103.05390	1.5
105.06969	17.6
107.08538	26.9
109.02885	1.2
109.06501	0.8
109.10102	26.1
110.07127	4.0
111.04378	5.1
111.08033	3.1
112.08725	1.2
113.02383	0.7
117.06962	1.7
119.08534	22.2
120.08064	14.1
120.08842	1.2
121.10101	21.7
123.11668	10.9
127.03862	4.1
127.08549	0.8
129.05457	5.9
129.06853	0.8
129.10205	11.9
131.08522	6.5
133.10088	16.8
135.11647	13.8
136.07573	4.2
137.13231	1.7
141.01801	20.5
143.08499	1.3
143.11778	0.7
144.09325	0.8
145.04947	12.0
145.10127	10.7
147.06497	3.2
147.11670	19.6
149.13225	10.7
151.11128	0.8
157.10049	3.7
158.10886	0.8
159.02904	3.2
159.11679	13.4
161.13228	15.4
163.05962	1.5
163.14755	7.3
171.11617	4.6
173.13199	12.0
175.14793	12.2
177.16307	10.1
183.11429	0.8
183.14832	0.8
184.07307	2.6
185.13176	1.7
187.14774	11.3
189.16339	10.3
191.14186	0.8
191.17924	4.9
199.14781	4.2
201.16374	15.1
203.17941	15.8
205.15898	3.1
205.19502	3.9
207.17519	0.9
211.14761	1.0
213.16383	4.3
215.17867	7.2
217.15877	1.0
217.19534	9.1
219.17433	1.4
227.17934	4.2
229.19478	8.6
231.20964	1.3
241.19472	3.7
243.21021	6.1
245.18996	0.9
255.21005	6.0
257.22623	5.4
267.21201	1.6
269.22543	5.8
283.24286	1.0
285.21994	0.9
287.23920	0.8
305.08621	1.1
354.17349	0.8
365.31931	6.6
370.26614	0.9
405.35031	20.1
406.35455	1.5
423.36145	93.9
424.36551	5.1
441.37143	1.6
581.38196	8.8
599.39215	9.7
1062.76074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05412	8.2
81.03336	3.4
81.04448	0.7
81.06978	21.5
83.04932	0.5
83.06033	1.2
83.08543	5.5
84.04421	4.4
84.08064	11.7
85.02831	40.3
86.09635	10.2
87.05501	0.5
88.03896	0.7
89.02334	0.6
91.03883	13.3
91.05402	13.3
93.04448	1.9
93.06973	20.1
95.01260	20.6
95.04920	3.3
95.05997	0.5
95.08534	49.1
96.08854	0.9
97.02830	15.8
97.10107	3.0
99.00755	2.1
99.04398	0.8
100.50411	0.5
101.02303	0.5
103.03893	3.5
103.05416	2.3
105.06974	24.6
107.08543	33.6
109.02837	2.5
109.06505	1.0
109.10109	30.8
110.07127	9.5
111.08038	4.5
111.11682	1.2
112.08653	1.0
113.02324	2.8
113.07082	1.0
115.03967	0.5
115.05426	0.5
115.08656	0.6
117.06978	2.8
119.04890	0.9
119.08542	30.1
120.08064	12.4
120.08858	1.0
121.10103	27.9
122.07054	0.5
122.10439	0.7
123.00739	0.8
123.08068	0.6
123.11653	14.1
125.09565	0.6
127.03878	10.5
129.06979	0.5
129.10210	8.0
130.06551	1.7
131.03369	1.0
131.08537	6.8
133.10095	30.7
134.10481	0.8
135.11656	19.0
136.07585	5.0
136.12111	0.5
137.13223	3.3
139.11185	2.5
141.01811	39.8
141.06657	0.6
141.10236	0.6
142.02135	0.6
143.08545	5.0
145.04919	9.0
145.10114	15.1
147.04269	0.6
147.11671	19.4
149.13240	15.4
151.11183	1.0
155.08318	0.5
157.10071	6.0
158.10788	0.6
159.02863	4.5
159.09187	1.1
159.11673	19.6
161.13223	22.0
162.13588	0.7
163.05991	11.9
163.11209	0.7
163.14803	9.9
165.12720	1.2
169.10110	0.8
171.11678	6.4
173.13249	12.5
175.14778	12.2
177.03889	1.0
177.12851	0.8
177.16339	13.3
179.17928	1.9
183.11320	0.7
185.13194	5.6
187.14807	10.7
189.16347	12.9
191.14211	0.9
191.17950	5.4
193.15874	0.7
195.07549	0.5
197.13260	1.1
199.14830	5.4
201.16360	17.9
202.16766	0.6
203.17934	18.7
205.15851	4.3
205.19485	4.0
207.17467	0.8
211.14864	1.9
213.16330	5.2
215.17928	9.5
217.15909	2.4
217.19478	12.5
219.17447	2.7
219.20929	0.6
225.16380	2.0
227.17912	8.3
229.19472	9.1
231.17345	0.6
231.21071	2.2
239.17964	2.4
241.19353	4.7
243.21005	8.9
245.18924	1.9
245.22697	0.6
247.20677	0.5
253.19580	1.8
255.21080	6.5
257.22668	5.2
259.20541	0.8
267.20996	2.1
269.22589	6.4
271.24149	0.6
281.22726	2.0
283.24213	1.8
295.24179	1.9
297.25735	0.9
309.25653	0.8
313.25308	0.6
321.08160	1.8
324.79120	0.5
325.11359	0.8
325.22406	0.5
339.08731	0.7
365.31839	6.4
403.33679	0.6
405.35065	23.3
406.35648	2.1
421.34763	0.8
423.36151	100.0
424.36395	9.2
441.37256	2.2
442.03519	0.6
493.36826	0.9
511.37524	3.1
581.38391	12.6
582.38556	0.8
599.39313	11.8
600.40155	0.6
778.17145	0.5
941.56885	0.6
1031.22058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.5607
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05408	6.8
81.06973	36.3
83.04902	23.8
83.06017	3.1
83.08537	4.1
84.04423	11.4
84.08070	27.6
85.02831	97.9
86.09644	27.1
91.05413	13.0
93.04436	4.0
93.06980	38.3
95.01251	29.9
95.08536	62.2
97.02840	35.0
98.38453	3.5
102.05485	5.4
102.85899	2.9
103.05377	4.1
105.06994	33.1
107.08543	44.3
109.02831	5.0
109.10106	43.8
110.07115	49.1
111.04368	13.9
111.08018	7.3
112.08650	3.8
115.03887	5.0
119.08552	40.1
120.08069	34.6
121.06491	3.5
121.10091	37.8
121.50628	3.1
123.11658	17.5
125.09613	3.8
127.03856	7.5
129.05453	13.8
129.10208	17.0
131.08517	13.7
133.10107	46.8
135.11652	35.5
137.13231	3.8
141.01799	61.3
141.06499	3.6
145.10109	34.2
147.06493	5.4
147.11652	34.8
149.13240	27.4
151.11290	3.5
155.08282	3.7
157.10056	13.2
159.02882	4.4
159.11670	35.2
161.13210	30.2
163.05980	4.0
163.14790	15.5
171.11475	13.3
173.13165	23.5
175.14803	23.2
177.16344	15.1
183.11578	3.6
185.13197	4.6
187.14780	20.1
189.16368	19.4
191.17975	3.7
197.13359	3.0
199.10562	3.9
199.14813	6.1
201.16362	22.2
203.17894	12.7
205.15804	4.1
207.17331	3.9
211.14745	3.8
213.16270	4.7
215.17879	12.3
219.17400	13.7
227.17944	6.6
233.18909	4.3
241.19411	4.6
245.18919	4.7
267.20950	4.2
276.80264	3.9
381.31262	13.4
409.34378	4.3
421.34561	74.3
422.34827	3.7
423.36002	5.0
439.35687	100.0
440.35690	6.2
457.36649	36.7
465.21588	3.2
481.76425	3.4
571.40057	4.5
597.37628	12.8
969.41541	3.9
969.67401	4.5
969.90533	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	1091.5628
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03842	0.3
79.05408	6.3
81.03339	3.1
81.06973	25.5
83.01257	1.2
83.04884	0.6
83.08537	4.8
84.08054	0.4
85.02827	58.7
85.06497	0.2
86.03177	0.4
87.04392	1.4
91.03878	20.2
91.05394	9.1
92.06493	0.3
92.10822	0.4
93.06971	20.4
94.07305	0.3
95.01254	29.8
95.04900	2.5
95.08532	50.6
96.08913	0.5
97.02821	30.1
97.10118	3.4
99.00742	2.7
99.04372	2.3
101.02312	2.0
103.03851	3.3
103.05382	0.5
105.06973	32.8
107.08538	35.2
108.08872	0.4
109.02834	2.9
109.06467	1.2
109.10105	37.5
110.10403	0.7
111.08025	7.0
111.11673	1.1
113.02318	4.1
115.03875	6.9
115.05367	0.3
117.06946	2.8
119.08537	31.9
120.08842	0.4
121.06528	0.2
121.10097	28.3
123.00718	0.5
123.08025	0.7
123.11663	13.9
125.09616	2.9
127.03877	13.1
128.06157	0.3
129.06976	0.4
130.07724	0.5
131.03366	1.9
131.08531	6.6
133.04945	2.6
133.10098	31.3
134.10429	0.5
135.11656	27.5
136.12032	0.3
137.09607	1.1
137.13217	3.1
139.03899	0.4
139.11176	2.4
141.01804	67.2
142.02147	1.1
143.08574	3.1
144.09303	0.4
145.04932	14.2
145.10103	16.7
147.11667	32.7
148.11975	0.4
149.13235	18.0
151.11151	2.0
151.14807	0.4
153.12735	0.7
157.10086	4.5
158.10847	1.2
159.02852	9.3
159.11664	17.3
160.12473	0.9
161.13219	20.2
162.13626	0.3
163.05977	16.8
163.11122	0.5
163.14774	7.6
165.12711	1.9
165.16403	0.3
169.10110	1.7
171.11638	4.5
172.12469	0.4
173.13226	11.3
175.14787	11.2
177.03931	2.6
177.16351	10.3
179.17882	0.4
183.11690	1.1
185.13213	3.8
186.13812	0.5
187.14780	7.6
189.16350	12.9
191.14296	0.5
191.17932	5.0
193.15894	2.7
195.17374	0.6
195.30818	0.3
197.13269	1.6
199.14789	4.1
201.16357	14.6
202.16705	0.6
203.17923	39.9
204.18315	0.6
205.15831	4.0
205.19540	1.5
207.17432	3.0
211.14841	1.2
213.16347	4.3
214.16745	0.4
215.17915	11.4
216.18381	0.4
217.15947	1.5
217.19473	10.7
217.21410	0.6
219.17409	4.7
219.20923	0.4
221.18947	1.8
223.14752	0.5
225.16313	0.6
227.17923	4.2
229.19466	10.1
231.17410	1.5
231.21078	2.1
233.18924	2.7
239.17955	0.6
241.19539	2.6
243.21031	3.8
245.18895	1.9
245.22665	0.5
247.20480	6.8
253.19518	1.6
254.53931	0.3
255.20973	4.5
257.22556	4.2
257.40872	0.3
259.20572	0.5
261.22098	1.6
267.21030	1.9
269.22665	4.2
271.20486	0.6
271.24243	1.6
273.05939	0.4
273.21991	1.9
275.23727	0.6
281.22610	1.5
283.24234	2.3
285.06088	0.4
285.22217	0.7
287.23587	1.2
291.07056	0.3
295.10153	0.6
295.24152	1.7
297.25745	4.1
301.25125	0.4
303.07065	0.7
309.08206	0.4
309.25760	0.7
311.27277	1.0
313.25174	0.6
315.26785	0.5
321.08130	4.0
323.27341	0.5
325.11264	1.3
325.28815	0.5
327.27036	0.5
335.27182	0.5
339.09210	1.6
349.28436	0.3
351.17899	0.4
363.30356	0.4
365.19476	0.3
365.32047	5.1
383.33041	1.8
393.35065	1.2
405.35110	22.6
406.35483	1.5
407.36548	1.3
411.36252	1.1
421.34509	1.3
423.36142	100.0
424.36447	6.4
425.37317	0.4
441.37228	19.2
442.37497	1.3
447.30984	0.5
515.37189	0.4
519.38043	0.6
535.35095	0.3
537.39386	1.4
555.40417	11.8
556.40881	0.5
563.37329	0.4
573.41394	10.0
574.41333	0.5
581.29700	0.6
581.38281	12.7
582.38171	0.5
585.42010	0.3
599.39331	17.9
600.39417	1.2
617.40265	1.1
713.42334	1.2
731.43683	4.3
753.17920	0.3
884.64954	0.3
1053.80078	0.4
1072.39941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05383	12.1
81.03334	7.7
81.06658	2.3
81.06983	34.3
83.04890	18.4
83.08568	3.8
84.04420	11.7
84.07600	3.3
84.08060	27.8
85.02351	4.7
85.02834	100.0
86.09608	16.8
91.05392	16.3
93.06960	31.3
95.01278	31.6
95.04906	3.2
95.08534	68.9
97.02836	25.1
97.10088	4.3
105.06974	34.5
107.08547	46.8
109.02833	29.7
109.10117	39.6
110.07112	19.3
111.04398	7.2
111.08015	12.3
113.02288	4.2
115.03911	4.0
118.92624	2.8
119.08527	36.4
120.08019	15.6
121.10085	41.9
123.11675	14.6
127.03841	14.4
129.05453	15.8
129.10175	17.0
131.08533	15.7
131.16031	2.9
133.10117	34.4
135.11638	34.2
139.11200	4.8
141.00104	3.3
141.01822	66.7
143.08502	5.6
145.10120	27.6
147.06439	5.2
147.11659	27.1
149.13277	27.3
157.10033	6.4
159.02879	6.7
159.11696	33.4
161.13255	29.2
161.71835	3.5
163.14758	13.4
169.09987	4.0
171.11566	5.9
173.13226	18.8
175.14801	16.0
177.16359	21.4
183.11581	3.7
185.13237	6.5
187.14699	7.3
189.16316	18.7
191.17940	4.8
197.13251	7.0
199.14732	6.5
201.16293	23.4
203.18011	23.6
205.15796	5.5
207.17462	4.6
215.17908	12.8
217.15720	3.1
217.19240	4.1
219.17415	5.3
225.16418	4.3
229.19496	5.4
233.18919	3.6
245.19093	7.7
255.21059	4.4
267.20947	4.3
273.21936	5.0
295.23886	4.3
305.16971	3.3
361.48804	4.7
381.31326	11.1
403.33368	5.6
409.35178	3.8
411.36377	4.5
421.34607	62.3
422.34741	3.8
423.36038	6.7
439.35583	83.4
440.35773	5.9
457.31357	3.5
457.36700	51.8
458.37808	3.9
571.39874	4.5
597.37531	12.6
615.38696	6.7
783.59467	4.1
842.50110	3.7
924.79626	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	1091.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05417	10.6
81.03321	3.8
81.06511	1.3
81.06976	35.3
83.04909	20.4
83.06012	1.3
83.08543	6.3
84.04431	5.1
84.08082	15.6
85.02832	98.7
86.09618	3.6
87.04400	1.6
91.03879	5.3
91.05402	13.7
93.04487	1.2
93.06977	32.5
94.20900	0.8
95.01260	28.5
95.04895	4.7
95.08540	61.7
95.75919	0.7
96.08852	1.0
97.02833	22.5
97.06459	4.1
97.07617	0.8
97.10096	3.8
99.00759	1.6
99.04382	1.5
101.02296	1.3
101.07070	0.9
103.03869	1.7
103.05442	0.9
105.06983	34.8
107.08543	49.8
109.02823	1.5
109.06454	3.6
109.10116	41.9
110.07119	8.4
110.75595	0.8
111.04382	12.9
111.08038	13.9
111.11668	0.9
113.02309	4.4
115.03909	8.3
117.06955	3.4
119.08543	44.4
120.08047	3.7
120.08866	1.1
121.06434	1.3
121.09229	1.3
121.10104	40.6
123.11660	12.6
125.09601	2.9
127.03874	8.6
129.05457	15.2
129.06972	3.3
129.10196	10.6
131.03360	0.9
131.08537	14.9
133.04893	1.7
133.10103	38.0
135.08051	1.3
135.11671	28.7
136.07533	4.7
137.09596	4.2
137.13255	3.4
139.03862	1.3
139.11148	4.8
140.39810	0.8
141.01814	57.9
142.07751	1.8
143.08574	8.9
144.09341	1.5
145.04926	3.1
145.10112	29.9
147.06525	8.3
147.07629	1.0
147.11676	34.1
149.09641	1.4
149.13243	28.3
151.03865	1.4
151.11180	4.8
153.12679	0.9
155.08545	1.6
156.09358	1.2
157.04903	1.0
157.10109	12.9
158.10852	1.3
159.02847	8.4
159.11668	33.9
161.09645	1.5
161.13237	26.7
163.05983	5.9
163.11145	1.6
163.14790	12.2
165.12662	1.1
169.10040	4.8
170.10840	1.0
171.11661	11.4
173.09242	2.0
173.13245	22.1
175.11224	1.1
175.14786	18.9
177.03891	1.4
177.12662	1.5
177.16374	14.2
181.04831	0.9
183.11678	7.5
184.12463	1.1
185.13237	13.2
187.14789	18.5
189.16345	17.8
191.14240	1.8
191.17970	6.4
193.15779	1.8
195.11551	1.6
197.13214	6.7
199.14777	12.1
201.12509	0.8
201.16365	27.6
203.14214	1.4
203.17941	16.5
205.15863	7.7
205.19559	1.9
207.17416	4.0
209.13219	1.7
211.14757	4.9
212.15602	0.8
213.16359	9.5
215.17960	16.3
217.15807	1.5
217.19507	5.4
219.17455	13.1
221.18961	2.0
223.14864	1.0
225.16359	5.2
227.17923	8.1
229.15759	1.3
229.19467	4.3
231.17418	3.1
233.19107	6.1
237.16287	1.0
239.17873	3.5
241.19499	4.4
243.17529	1.0
243.21153	1.4
243.78485	0.8
245.18985	8.7
249.16280	1.0
251.17903	1.7
253.19482	4.7
255.08536	1.1
255.21037	4.9
256.97748	0.9
257.18927	1.8
257.22479	1.3
259.20367	0.9
265.19498	1.3
267.20947	4.6
269.22678	2.0
271.06009	1.9
271.20477	1.6
273.22009	4.7
279.10690	1.0
281.22699	1.0
283.20605	1.8
283.24176	1.2
285.21985	1.9
287.07632	1.2
295.24182	1.4
299.23770	1.2
301.07092	0.9
305.08621	3.7
309.11810	3.9
309.25635	1.0
313.25110	3.3
321.08759	0.8
323.09711	1.3
327.26758	1.9
335.27423	1.3
339.08997	1.2
339.27066	1.1
353.28415	1.6
363.30283	3.2
365.19479	1.3
381.31516	11.8
391.33636	0.9
399.32303	1.3
403.33490	11.8
409.34494	4.6
421.34592	87.7
422.34912	5.4
423.36060	6.9
437.33890	1.2
439.35660	100.0
440.35782	5.2
455.34787	1.2
457.36731	25.4
458.37250	1.2
517.36523	1.5
519.11292	1.2
535.37585	3.7
553.39142	6.1
553.46356	0.9
571.40021	6.4
579.36700	4.6
591.10144	1.1
597.37677	16.1
615.38531	9.3
729.42340	1.2
765.60132	1.2
802.77087	0.9
802.91412	1.0
889.51727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.6356
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05415	0.2
81.06972	0.6
84.08056	0.4
86.09626	35.8
87.09947	0.4
92.10934	0.4
93.06971	0.2
95.08554	0.4
98.98398	4.2
104.10677	3.9
113.10795	0.1
120.08038	0.2
124.99963	26.5
129.10159	0.2
133.10114	0.1
143.01001	0.7
148.43353	0.1
157.15617	0.1
171.41412	0.1
184.07304	100.0
185.07629	1.0
224.72238	0.1
243.20708	0.1
276.43790	0.1
329.66577	0.1
337.27216	0.2
502.32782	1.8
520.33905	19.2
521.34332	1.0
542.31464	0.1
670.10474	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	1099.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05406	0.7
79.58790	0.4
81.03345	1.5
81.06982	0.9
83.06029	0.5
84.04433	0.8
84.08062	3.9
85.02827	6.5
86.09641	3.1
91.03879	2.2
91.05416	0.7
93.04459	0.4
93.06982	0.5
95.01269	2.6
95.08535	3.2
97.02820	2.9
105.06989	1.5
107.08549	1.7
109.02840	6.1
109.10116	0.9
110.07117	3.8
113.02328	0.5
119.08508	2.7
120.08053	4.6
121.08451	0.4
121.10095	0.9
123.11652	0.5
127.03886	100.0
128.04214	1.6
129.10205	1.5
131.08537	0.7
133.10095	2.1
135.11687	1.4
141.01825	5.1
145.04967	1.5
145.10118	1.6
147.11670	1.8
149.13266	0.6
159.11705	0.5
161.75386	0.4
163.05983	1.6
169.05000	0.5
175.14789	0.4
177.16444	0.5
183.14941	0.5
187.14619	0.4
191.17976	0.4
201.16341	0.6
205.15849	0.4
215.17920	0.4
219.17488	0.4
298.57474	0.4
413.20593	0.4
437.34021	2.2
444.32343	0.4
455.35361	5.2
581.37689	0.8
716.45367	0.5
896.83557	0.5
908.16400	0.4
1004.94574	0.5
1005.16565	0.5
1084.01831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03857	0.8
77.15536	0.8
79.05420	13.2
81.03339	3.2
81.04485	1.0
81.06979	34.2
82.06501	0.8
83.01278	0.7
83.04906	1.4
83.06015	3.4
83.08536	5.0
84.04450	5.3
84.08074	10.1
85.02831	37.5
85.06475	1.3
86.09626	9.4
87.05514	1.3
88.03909	0.9
91.03891	10.5
91.05406	18.3
93.04453	1.7
93.06977	33.6
95.01263	18.6
95.04897	5.0
95.08539	57.5
97.02833	16.5
97.06453	3.6
97.10107	3.0
99.04419	1.6
99.08033	0.9
101.02320	23.8
102.05511	1.1
103.03883	1.0
105.04485	0.7
105.06986	50.2
107.08539	39.4
109.02837	8.6
109.06488	6.1
109.10110	30.6
110.07125	17.6
111.07388	1.0
111.08039	10.3
113.02325	1.4
115.03841	0.8
115.05441	1.0
117.06976	9.6
119.08543	57.0
120.08035	3.1
120.08814	1.1
121.06473	1.7
121.10109	31.7
123.08043	1.6
123.11655	8.5
125.09663	1.1
126.05421	0.8
127.03884	84.7
127.08670	0.9
128.06158	1.4
129.06941	5.2
129.10217	6.8
130.07771	1.4
131.03423	1.0
131.08540	26.6
133.10109	37.1
135.08032	1.0
135.11658	19.0
136.07555	0.9
137.13155	1.0
139.11131	1.3
141.01813	38.9
142.07744	4.4
143.08553	12.5
144.09312	1.2
145.04961	15.8
145.10110	37.1
146.14781	0.8
147.10483	1.2
147.11681	35.7
149.09560	1.1
149.13249	22.3
151.11217	1.2
155.08548	5.5
156.09340	1.8
157.10117	19.5
158.10840	1.5
159.02861	3.6
159.11670	39.7
160.12111	1.1
161.09642	1.5
161.13239	29.0
163.06026	8.1
163.11176	3.7
163.14825	11.5
168.92581	0.8
169.10161	6.3
170.10883	1.8
171.11652	13.9
173.13229	34.3
175.11118	3.0
175.14789	20.0
177.12715	10.7
177.16353	7.9
179.14285	5.6
181.09915	1.3
182.10831	0.8
183.11662	5.7
183.14847	0.9
184.12213	0.8
185.13188	10.4
187.11137	0.8
187.14792	19.5
189.12732	4.9
189.16373	21.4
191.14307	8.9
191.17940	6.4
193.15816	2.8
195.11588	3.2
197.13251	6.8
199.10782	1.0
199.14792	13.7
201.12712	1.4
201.16367	18.7
203.14322	14.7
203.17908	14.8
205.15855	11.8
205.19563	1.3
207.17374	5.4
209.13240	1.2
211.14815	4.5
212.10353	1.1
213.16396	11.5
215.14287	2.9
215.17914	8.9
217.15871	8.6
217.19455	3.2
219.17439	10.9
223.14748	0.9
225.16362	3.6
227.17952	6.9
229.15849	3.2
229.19525	4.3
231.17365	11.5
233.18979	3.1
239.17899	3.8
241.15749	2.9
241.19409	3.8
243.17354	4.4
243.21120	3.2
245.18904	1.8
249.16356	0.9
251.17859	1.5
253.19424	1.3
255.21077	1.4
257.18964	1.5
259.20404	0.9
265.19507	1.1
267.20963	1.7
269.18961	1.5
271.20575	3.4
281.22540	1.5
283.20474	1.8
297.22247	1.2
311.23727	1.7
325.25162	1.0
379.29803	12.1
391.33545	4.4
401.31927	4.2
407.33008	12.7
409.34543	3.1
419.33011	50.0
420.33246	1.7
437.34088	100.0
438.34360	4.7
455.35147	17.0
529.79108	0.9
581.37933	3.0
585.36761	0.9
595.36389	6.2
613.37140	6.7
631.37897	4.7
793.43365	1.1
1056.95276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1100.6844
Annotation	Unknow
Peak:m/z	Relative Intensity
76.56073	0.6
81.63299	0.5
84.04433	0.6
84.08070	2.1
86.09628	36.2
87.92353	0.5
90.80887	0.5
98.97795	0.5
98.98401	3.6
104.10680	4.2
120.08060	1.2
124.98051	0.5
124.99040	1.0
124.99963	26.6
129.10193	0.9
143.00984	0.6
184.07298	100.0
256.93546	0.5
310.35721	0.6
313.27228	0.8
441.69153	0.5
477.22064	0.6
478.32443	2.2
496.33936	22.2
497.34042	0.7
900.78381	0.6
922.37311	0.6
1098.00305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.546
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05400	6.9
81.03355	0.8
81.06976	20.8
83.04899	9.3
83.06037	1.1
83.08541	3.4
84.04425	3.1
84.08069	10.8
85.02829	45.4
85.08358	0.6
86.09628	6.0
87.04410	1.0
91.03861	1.2
91.05414	9.3
93.06976	17.2
95.01257	12.7
95.04900	1.4
95.08536	39.0
97.02821	6.0
97.10092	2.4
99.00749	1.4
101.07050	0.7
102.05468	0.8
103.03888	0.9
103.05396	1.3
105.06273	0.9
105.06979	19.8
107.08541	28.4
109.02835	4.4
109.06468	0.8
109.10107	27.0
110.07136	6.7
111.04397	7.0
111.08044	4.2
111.11686	1.2
113.02312	2.5
117.06960	1.2
119.08537	24.2
120.08057	10.2
120.08842	0.9
121.10101	23.6
123.11663	12.7
127.03883	4.1
129.05444	8.4
129.10207	4.2
131.03433	0.7
131.08527	7.2
133.10109	22.9
135.11655	15.9
136.07520	2.6
137.13197	2.2
141.01813	31.7
143.08537	2.7
144.09268	0.7
145.04901	1.3
145.10101	12.5
147.06502	3.1
147.11671	17.9
149.13237	11.9
151.11139	0.7
157.10083	3.7
159.02876	3.9
159.11681	12.9
161.13223	15.5
163.06030	2.5
163.14838	9.3
165.12709	0.8
169.04924	1.0
171.11615	4.2
173.13243	12.7
175.14786	10.2
177.03949	0.9
177.16348	10.9
183.11548	0.8
185.13164	4.0
187.14803	11.9
189.16370	10.4
191.17969	4.8
193.15849	1.1
199.14778	3.4
201.16377	15.4
203.17938	17.1
205.15910	4.6
205.19455	1.2
207.17451	1.2
211.14673	0.9
213.16301	3.3
214.16771	0.9
215.17880	8.1
217.15918	3.0
217.19482	10.1
219.17377	2.5
225.16377	0.6
227.17845	6.0
229.19504	9.1
231.21048	1.2
233.19162	0.8
241.19484	3.6
243.21063	8.2
245.19032	1.2
253.19496	0.9
255.21019	5.2
257.22589	3.5
261.35028	0.6
269.22586	5.9
271.24310	0.9
281.22620	0.8
283.24170	1.1
287.07486	1.4
297.25720	2.4
305.08682	2.6
307.24017	0.7
365.32040	5.3
405.35043	24.7
406.35294	1.2
423.36142	100.0
424.36371	5.9
433.56342	0.7
488.98065	0.8
581.38239	11.6
582.38971	0.9
586.08490	0.6
599.39264	8.2
641.51294	0.7
641.61780	0.6
646.19012	0.6
941.93457	0.6
966.66443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.545
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05410	8.4
79.15765	0.7
81.03339	1.5
81.06974	23.6
83.04901	1.4
83.06042	1.5
83.08542	4.8
83.98241	0.7
84.04423	13.3
84.08070	41.0
85.02831	36.1
85.08408	0.9
86.05986	1.0
86.09630	23.7
87.05517	3.6
87.09970	1.1
88.03918	3.6
89.24994	0.7
91.03887	15.1
91.05410	13.1
92.10912	1.1
93.04495	0.9
93.06981	19.2
95.01252	16.3
95.04917	1.2
95.08538	50.6
97.02828	18.7
97.10110	3.3
98.02347	1.0
98.09650	0.9
99.00761	1.0
99.04392	1.2
99.05460	1.0
101.02293	1.1
101.07065	1.9
102.05499	6.1
103.03886	3.2
103.05409	4.1
104.05241	1.7
105.06980	23.7
107.08543	33.5
108.88914	0.8
109.02848	1.8
109.06513	1.5
109.10117	31.3
110.05954	0.8
110.07146	9.1
111.08048	3.6
112.08665	1.4
113.02305	1.1
113.07097	1.0
114.05472	1.3
115.03864	0.8
115.08660	1.4
117.06947	1.4
119.08545	30.8
120.08064	27.2
120.08922	1.1
121.08414	1.2
121.10100	26.7
121.10931	1.4
123.00751	1.1
123.11674	10.1
125.09579	0.8
127.03876	9.9
127.04895	1.4
127.08650	1.0
129.05528	0.9
129.06656	1.7
129.10211	19.9
130.07739	0.9
130.10583	1.1
131.03450	0.8
131.08546	10.2
133.06078	1.6
133.10110	24.4
135.11670	21.7
136.07562	9.3
137.13249	3.6
139.11168	1.1
140.57060	0.7
141.01808	40.5
141.06671	1.0
141.10207	1.9
143.08504	1.6
145.04965	10.0
145.10092	14.6
147.11681	20.4
149.13249	14.9
153.06528	0.9
155.08249	1.6
155.11786	1.2
157.10106	4.1
159.02895	3.7
159.07654	1.3
159.11667	18.0
161.13228	18.2
163.06004	9.0
163.14781	10.1
165.12721	1.2
169.09784	3.1
171.11609	5.4
173.09288	1.3
173.13223	14.0
175.14804	12.5
177.03889	1.5
177.16371	12.2
181.06075	1.5
183.11497	1.7
184.07239	1.0
185.09177	1.5
185.13199	4.7
186.09225	1.0
187.14806	11.4
189.16386	14.4
191.17929	4.3
197.13029	1.7
199.10684	0.8
199.14789	5.0
201.16365	18.3
203.17944	17.5
205.15862	3.9
205.19490	1.2
207.17400	2.9
211.14737	1.6
213.08653	1.1
213.16353	5.3
215.17941	7.5
217.08176	1.8
217.15987	1.3
217.19485	11.6
219.17422	1.8
221.12894	0.9
227.17882	3.4
229.19516	9.6
231.17381	0.9
241.19392	6.2
243.21054	7.4
252.13428	1.4
253.19426	1.8
255.20999	7.0
257.22610	4.4
269.22601	4.7
271.24149	1.8
283.24170	1.7
285.96304	0.9
295.24225	1.3
365.32001	6.0
405.21368	0.9
405.35101	21.8
423.36157	100.0
424.36478	5.5
441.37253	3.9
581.38373	11.5
583.38861	1.0
590.86243	0.9
599.39331	8.6
662.32428	0.8
1075.73230	1.0
1139.58313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05415	6.3
80.03823	0.7
81.03326	3.0
81.06975	19.7
83.01250	0.7
83.04884	1.8
83.06002	1.5
83.08526	1.8
84.04419	6.1
84.08063	8.5
85.02826	46.3
85.08443	0.7
85.24313	0.6
86.09629	7.2
91.03864	9.6
91.05399	8.5
93.04400	1.2
93.06962	20.2
95.01240	11.2
95.04843	1.3
95.06004	0.7
95.08530	30.8
97.02820	17.1
97.06438	1.1
97.10069	1.2
99.00786	0.8
99.04395	2.9
99.85518	0.7
101.02319	27.3
102.85758	0.8
103.03868	1.5
103.05399	0.9
105.06976	18.8
107.08532	25.4
109.02827	9.1
109.06495	0.9
109.09401	1.1
109.10104	21.9
110.07111	11.0
111.04348	1.4
111.08023	5.1
111.11629	0.8
113.02232	0.8
115.03868	0.9
117.06907	3.2
119.08535	29.5
120.08058	5.3
120.08839	1.1
121.10089	18.8
123.11672	6.1
127.03875	100.0
129.05429	1.4
129.06944	1.4
129.10220	6.5
131.08546	10.2
133.10089	18.9
134.10402	0.8
135.11671	10.8
136.07544	1.4
137.09648	1.0
137.13170	1.5
139.11136	0.9
141.01799	26.8
143.08517	4.3
144.09268	1.2
145.04936	30.0
145.10100	19.4
147.11670	16.5
149.13229	12.7
151.11160	1.4
155.08197	1.2
157.10081	6.8
158.10899	1.5
159.02864	3.9
159.11665	24.8
161.13211	17.2
163.06003	7.1
163.14772	7.1
169.10156	1.8
171.11601	6.5
173.13234	12.0
175.14777	13.7
177.16362	6.6
183.11627	4.8
185.13208	8.5
187.14799	9.6
189.16342	10.0
191.17877	3.0
193.15804	1.4
197.13153	1.7
199.14751	4.9
201.12439	0.9
201.16331	13.2
203.14261	1.2
203.17908	7.8
205.15877	8.3
207.17331	3.3
211.14729	4.7
213.16364	4.2
215.17946	9.8
217.15804	3.4
217.19429	2.9
219.17419	5.6
221.18954	2.9
221.87401	0.9
225.16309	1.5
227.17874	3.2
229.19435	1.5
231.17461	3.2
233.18973	5.6
239.17900	0.8
241.19481	3.3
243.17419	1.7
243.21078	0.9
245.18938	3.6
253.19551	2.5
255.21049	3.7
267.20953	1.0
269.22443	1.4
271.20496	1.2
273.22260	1.3
281.22577	1.0
285.21915	0.9
304.40872	0.9
313.25220	1.0
321.08304	0.9
359.22339	0.9
381.31293	3.4
403.33414	4.5
409.34494	3.7
421.34546	32.3
422.34924	1.2
423.36111	1.8
437.33725	1.0
439.29837	1.6
439.35651	43.2
440.35818	1.1
457.36356	1.8
565.38428	3.7
579.36334	3.3
583.39343	1.2
597.37958	8.9
598.38397	0.8
615.37952	3.1
617.69226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05402	4.8
81.03341	1.3
81.06976	11.7
83.04907	0.5
83.08555	1.8
84.04423	0.9
84.08069	1.9
85.02828	34.9
86.09637	1.6
91.03872	3.3
91.05395	5.2
92.10260	0.5
93.06973	10.6
95.01257	7.5
95.04895	2.1
95.08534	19.9
97.02827	7.4
97.06485	1.7
97.10088	1.1
99.00755	1.0
99.04384	2.1
99.58134	0.2
101.02318	48.0
102.02657	0.4
103.03867	1.2
103.05367	0.3
105.06976	14.7
107.08540	15.2
109.02818	1.9
109.06467	1.3
109.10102	13.1
110.07127	1.3
111.04401	0.3
111.08051	3.0
111.11666	0.5
113.02298	1.2
115.03958	0.3
115.05413	0.4
117.06986	1.9
119.08537	17.5
120.08071	0.5
121.10098	11.3
121.10930	0.5
123.08059	0.5
123.11643	4.2
125.09573	0.4
126.05422	0.3
127.03878	100.0
128.04219	1.2
129.06949	1.5
129.10196	1.0
130.07768	0.3
131.03372	0.4
131.08537	6.7
133.10101	11.9
134.10442	0.3
135.11665	6.8
137.09610	0.4
137.13228	1.0
139.03925	0.3
139.11174	0.4
141.01805	15.3
142.07788	0.4
143.08545	2.9
144.09334	1.1
145.04944	39.8
145.10101	13.9
147.10490	0.4
147.11662	10.7
148.08281	0.2
149.13235	8.0
151.11172	1.1
155.08437	0.5
156.09357	0.5
157.10124	5.0
158.10858	0.4
159.02896	1.7
159.11662	13.3
161.13231	9.7
163.05949	2.9
163.11180	0.3
163.14787	2.7
165.12654	0.3
169.10057	1.2
170.10942	0.5
171.11647	4.1
173.13225	8.6
175.14781	7.5
177.03981	0.3
177.12717	0.6
177.16356	6.0
179.14299	0.6
182.10838	0.3
183.11652	1.6
184.07498	0.3
185.13229	3.9
186.13988	0.3
187.14815	6.9
189.16344	8.2
191.14275	0.3
191.17970	1.7
193.15836	2.5
195.11568	0.3
197.13167	1.3
198.13943	0.3
199.14761	3.6
201.16348	7.2
203.14244	0.5
203.17926	4.0
205.15846	6.0
207.17409	3.5
211.14777	1.4
213.16382	2.9
215.17921	6.5
216.18208	0.3
217.15991	0.8
217.19434	1.6
219.17325	2.6
221.18948	0.3
225.16362	1.2
227.17874	3.0
229.15820	0.3
229.19473	1.5
231.17381	1.3
233.19008	4.1
235.14627	0.3
235.20531	0.3
239.17862	1.3
241.19392	1.7
243.17348	0.5
243.21021	0.3
245.18942	3.4
253.19395	1.3
255.20949	0.6
257.18954	0.5
259.20468	1.0
267.21088	1.1
269.22531	0.6
271.20499	1.0
273.22034	1.3
281.22311	0.3
285.22028	1.1
289.09067	1.0
295.24078	1.1
299.23584	0.4
307.10153	1.7
311.23611	0.8
313.25192	1.1
325.25031	0.4
327.26660	1.0
359.22202	0.4
363.30350	1.3
365.19824	0.3
379.29874	0.4
381.31448	2.3
391.33673	0.9
393.34821	0.3
403.33585	3.2
409.34549	2.8
419.32904	0.3
421.34604	21.5
422.34741	0.6
423.36185	0.4
437.33621	0.4
439.35617	25.7
440.35587	1.0
449.33743	0.4
457.36636	3.0
507.34598	0.4
535.37866	0.5
547.37738	2.2
553.38470	0.9
565.38727	3.7
579.36224	0.9
583.40265	1.6
597.37634	3.2
601.40155	1.0
615.38580	1.9
994.63995	0.3
1044.06970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05407	8.7
81.03339	1.3
81.06977	25.3
83.04890	2.7
83.06020	2.4
83.08543	6.5
84.04424	4.0
84.08076	9.1
85.02833	47.9
86.09634	6.8
87.05522	0.7
88.03849	0.6
91.03885	13.4
91.05407	9.0
93.04475	0.7
93.06977	22.6
95.01254	14.5
95.04868	2.2
95.08537	55.6
97.02824	17.9
97.06471	1.1
97.10078	1.4
99.00749	1.0
99.04406	1.3
101.02316	1.3
102.05459	0.9
103.03851	4.0
103.05383	0.8
103.69816	0.6
105.06979	26.6
107.08550	37.2
109.02834	4.2
109.06454	2.3
109.10114	37.8
109.10866	1.3
110.07122	8.2
110.09660	0.7
111.04386	0.7
111.08044	6.3
111.11674	0.9
113.02321	2.5
117.06961	1.4
119.08543	34.1
120.08102	7.0
121.10101	32.5
123.11664	15.3
127.03891	20.2
127.04829	0.8
129.05406	2.6
129.06929	0.8
129.10196	4.1
131.03380	0.9
131.08516	7.1
133.10100	29.0
135.11661	21.8
136.07585	1.5
136.08702	0.9
137.09573	0.7
137.13217	4.0
139.03876	0.7
139.11177	1.1
141.01816	39.0
143.08559	3.8
145.04936	12.8
145.10106	16.4
147.06569	1.0
147.11676	22.9
149.13242	15.4
151.11156	0.6
155.08180	0.7
157.10152	5.3
158.10873	1.0
159.02841	6.1
159.11665	20.5
161.01196	0.8
161.11983	1.2
161.13242	26.3
163.05986	8.8
163.14787	11.0
165.12715	1.3
167.08203	1.0
169.10036	2.7
171.11667	6.0
173.13231	15.1
175.14801	15.1
177.16365	12.8
179.17917	1.3
183.11505	0.9
183.14790	0.8
185.13249	5.6
187.14804	14.1
189.00676	0.9
189.16367	14.8
189.68588	0.7
191.14220	0.7
191.17957	8.3
193.15727	0.9
197.13239	1.1
199.14786	7.3
201.16367	18.6
203.17923	20.2
205.15858	5.8
205.19510	3.7
207.17349	1.2
211.14700	1.5
213.16283	5.2
215.17924	10.5
217.15924	4.2
217.19473	16.1
219.17384	3.6
221.18790	0.8
223.14983	0.7
225.16243	1.1
227.17915	6.1
229.19456	9.1
231.17435	1.0
231.21062	3.7
233.18933	0.9
239.17857	0.8
241.19434	4.2
243.21082	7.0
245.19006	1.4
253.19388	1.2
255.20996	7.7
257.22629	4.9
259.20639	0.8
267.21048	2.5
269.22644	7.4
271.24094	1.0
281.22479	0.8
283.24127	2.7
287.07593	0.8
295.24063	2.7
305.08716	0.8
309.25470	1.2
311.27066	0.7
313.25122	1.4
321.08063	0.8
325.11261	0.7
365.31934	7.6
403.33630	0.7
405.35080	23.4
406.34985	0.8
421.34439	1.4
423.36163	100.0
424.36105	4.6
441.37167	6.9
511.37839	1.5
581.38269	12.8
599.39319	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	1105.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05396	0.4
80.04926	0.7
81.06963	0.6
82.02850	0.6
82.06509	1.3
82.51022	0.3
83.04921	0.4
83.06010	2.7
84.03944	0.6
84.04431	16.3
84.08067	52.5
85.02818	1.6
85.03954	2.4
85.04745	0.6
85.08388	2.1
86.05981	0.6
86.09628	22.0
87.05503	2.1
87.09933	0.5
88.03899	1.4
89.07076	0.4
91.05411	8.9
93.04445	0.6
93.06977	0.6
95.04895	0.4
95.06004	2.1
95.08532	0.5
96.04411	2.9
96.08034	0.8
97.02808	0.6
97.07577	1.6
98.02352	0.5
98.05974	2.5
98.09612	0.5
99.05492	0.5
99.09152	0.6
100.07552	0.4
101.07072	4.3
101.10740	0.5
102.05479	5.9
103.05367	0.7
106.06528	1.1
107.04900	6.9
107.08525	0.4
109.02814	0.8
109.07603	0.7
109.10101	0.4
110.05966	0.6
110.07114	8.1
110.09628	1.6
111.05502	0.5
111.09160	1.3
112.07541	0.7
112.11172	0.5
113.07050	1.4
114.05494	1.6
115.05453	5.9
115.08639	2.1
116.04855	0.3
116.07011	0.5
116.08968	0.3
117.05706	3.2
117.06966	0.5
118.06476	1.8
119.04900	6.0
119.07241	1.3
119.08535	0.6
120.08062	8.7
120.90855	0.4
121.06451	2.2
122.07095	1.4
123.04360	0.6
123.05496	0.5
124.03931	0.5
124.08669	0.4
125.07074	25.5
126.05466	3.1
126.09090	0.4
127.03896	0.6
127.04979	0.5
127.08625	1.8
129.06535	4.4
129.10205	31.2
130.04936	1.1
130.06494	15.7
130.08594	1.7
130.10561	1.5
130.96074	0.3
132.08063	17.8
133.08438	0.5
134.05984	11.2
135.05641	0.7
135.06764	8.1
135.09074	0.5
136.07559	42.9
136.08591	1.6
137.07053	3.4
137.07964	0.5
138.09076	0.4
139.08653	2.9
140.04944	0.6
140.07031	0.4
141.01753	0.4
141.06541	2.6
141.10229	3.0
142.06529	4.9
143.07227	0.5
143.08215	1.2
143.11777	1.9
144.08072	15.2
145.05116	1.5
145.06393	1.4
145.07541	0.6
146.05992	19.8
147.04390	0.6
148.07545	3.4
148.08693	1.3
149.13188	0.3
150.05516	0.6
150.06612	7.8
151.05043	0.4
151.07353	1.9
151.08650	4.3
152.08171	4.8
153.06561	2.8
153.10201	0.7
154.05022	0.7
154.06511	2.5
155.08145	1.9
155.11780	1.6
156.08067	0.5
157.06293	0.4
157.07530	1.3
157.09688	1.9
158.08397	2.3
158.09509	0.6
159.07797	1.8
159.09143	34.3
160.07545	3.5
162.05504	0.6
162.09123	6.3
163.08620	1.6
164.08171	0.7
165.06580	0.5
165.10252	0.5
167.08214	2.6
167.11726	0.6
168.06685	0.7
168.07994	1.1
169.07574	100.0
170.05971	14.7
170.07904	2.9
170.09381	0.7
171.07617	2.7
171.09146	5.9
171.11337	1.6
172.07538	8.9
173.09216	1.3
174.05449	2.8
174.09120	0.4
176.06863	0.4
176.08235	3.5
177.10219	1.2
178.09708	0.6
179.08134	3.8
179.10474	0.3
180.07599	0.6
180.09018	0.4
180.11346	0.5
181.06065	1.4
181.07497	2.4
181.09741	3.7
182.05971	1.4
182.08234	0.5
183.07623	1.7
183.09160	0.6
183.11255	1.3
184.07481	1.4
184.10898	0.7
185.07076	1.9
185.09164	1.7
185.10715	0.6
185.12766	0.5
186.08887	2.9
186.10455	0.6
186.12364	1.3
187.07094	1.6
187.08646	2.4
188.07092	2.0
189.08626	1.7
189.10187	1.9
190.12238	0.4
191.08122	0.7
195.07504	0.4
195.09218	0.4
195.11212	1.2
196.10936	0.4
197.07080	9.1
197.10707	1.8
197.12706	0.5
197.16443	0.4
198.05513	2.4
198.08794	1.2
198.12445	0.5
199.07094	2.4
199.08675	3.8
199.10600	0.6
199.17867	0.5
200.07050	3.5
200.13980	1.3
201.08765	2.2
201.11546	0.8
202.08730	0.4
202.12172	0.5
205.09703	0.5
206.09355	0.5
207.07608	2.3
207.09325	0.5
208.10860	1.6
209.07288	0.7
209.09177	2.2
209.10893	1.1
209.12602	0.3
210.05476	1.7
210.12215	0.4
210.16171	0.4
211.08623	0.5
213.08644	0.5
213.10428	0.5
213.13841	0.6
215.08133	2.0
215.11812	0.7
215.13962	0.4
216.09787	0.7
216.13274	0.4
217.08078	1.7
217.09889	4.7
223.08823	0.3
223.12241	1.5
224.10139	0.4
225.06583	0.5
225.10434	2.7
226.09924	0.7
226.11813	2.9
227.08147	7.2
227.10074	0.6
227.11877	0.6
228.06575	0.5
228.10207	0.5
228.13466	0.7
229.09544	0.5
231.11465	0.4
233.12808	2.1
235.14375	0.4
237.06639	0.4
238.11923	0.4
239.11769	0.5
240.28090	0.4
241.13316	2.9
241.15486	0.4
242.12817	2.1
243.11230	4.9
250.11736	0.4
251.11862	4.5
252.10335	1.7
252.13356	0.3
253.10884	0.4
253.13228	0.6
254.09222	0.4
254.11629	1.3
255.07529	1.9
255.14749	0.4
257.12775	1.9
258.10822	1.2
260.10526	1.6
260.13766	1.6
262.11829	0.5
264.09909	0.5
268.14380	10.0
269.12689	1.8
270.12329	23.9
271.10587	5.2
272.11661	0.7
273.08972	0.3
273.12289	2.1
277.13095	0.6
279.11111	0.4
281.12781	0.6
282.15295	0.3
285.12347	2.3
288.10294	0.4
288.13272	1.5
295.13840	0.6
296.13916	6.4
297.12137	0.5
297.15475	0.4
299.13873	2.9
301.12115	0.6
301.15359	5.7
306.12497	0.6
309.12308	1.3
312.11722	0.7
313.11761	2.1
313.14990	0.5
314.14948	17.5
315.15424	0.4
316.12854	6.8
318.18008	2.5
324.13361	20.3
325.13757	1.4
326.14963	2.8
328.16550	3.4
330.13391	0.4
334.11676	1.6
336.13461	0.7
342.14459	20.3
343.14734	1.6
352.12833	16.5
353.12863	0.3
354.14453	1.9
362.11212	1.9
368.19522	1.2
369.15314	1.2
370.13934	2.1
371.14429	0.6
374.20804	0.5
376.33630	0.4
380.12189	0.6
381.22769	1.6
396.18616	0.5
398.17267	0.3
399.16656	0.4
410.17023	1.9
420.18909	0.7
423.19913	3.8
427.23419	0.7
432.19232	1.3
433.18332	2.5
435.15933	0.5
439.35245	0.4
441.21063	0.5
443.18814	0.4
448.18515	2.1
451.13678	0.7
451.19687	15.8
452.19827	0.6
453.17502	1.9
459.20401	1.3
460.18445	1.2
461.18002	2.3
477.21259	8.9
478.21118	1.8
479.19098	4.8
481.17822	0.5
487.19446	0.7
496.21475	2.1
498.16464	0.4
504.22397	0.5
505.20859	8.4
506.20178	1.5
507.18613	0.6
515.19354	1.2
522.23169	2.3
524.21222	0.5
532.21655	0.7
533.19934	0.6
534.23560	2.5
552.24158	1.5
553.23364	0.4
560.21301	0.7
562.22827	2.3
572.21790	0.4
580.23834	4.1
581.23602	0.6
586.26691	0.4
590.21753	1.8
597.25952	0.4
608.23126	2.0
614.25598	1.8
616.23517	0.5
631.28766	0.7
633.26257	1.9
642.25305	1.6
643.28705	0.4
651.27502	0.4
659.27789	2.3
660.27026	0.5
677.28418	0.5
687.27411	5.1
706.31409	1.4
715.31030	1.2
716.29755	0.7
717.28033	1.5
722.29089	1.7
725.28528	1.5
727.26672	1.5
732.33539	3.4
733.32141	0.4
734.31378	0.7
742.31342	1.3
743.30554	3.5
744.29858	5.8
750.33984	0.8
753.28632	2.6
760.33368	2.9
770.31299	7.2
771.30060	4.6
788.32458	7.3
789.32483	0.5
826.75409	0.7
827.08527	1.3
828.32971	1.4
845.35437	0.5
857.35669	1.6
874.38403	1.2
884.37006	1.1
885.35626	12.9
886.35870	0.6
901.37646	1.4
902.38153	42.1
903.38275	4.5
911.36938	5.0
912.36670	0.5
918.40735	0.6
928.39642	24.0
929.38617	6.2
930.37915	7.7
931.38501	0.4
931.45770	0.3
939.36487	1.1
942.27216	0.4
946.40570	10.2
947.39502	1.7
956.39252	10.4
957.37659	2.4
974.39575	3.4
979.86499	0.4
1004.44525	1.6
1026.44189	0.4
1059.48120	0.6
1060.47644	0.5
1070.44775	0.7
1072.07532	0.4
1077.49377	1.5
1087.48547	9.1
1088.47046	2.1
1094.89331	0.5
1105.49927	4.5
1106.49231	0.7
1111.53601	0.5
1135.57544	0.5
1142.57446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05381	0.3
80.04876	0.1
81.03330	0.1
81.04478	0.1
81.06934	0.1
82.06493	1.0
83.06009	0.3
83.08487	0.1
84.04421	8.0
84.08064	6.4
85.02817	0.2
85.03449	0.2
85.03945	4.1
85.08395	0.2
85.88021	0.1
86.09619	5.9
88.03866	0.2
89.03831	0.5
90.04637	0.1
91.05402	20.1
92.05721	0.3
95.04871	0.5
95.08520	0.2
96.08040	0.1
97.02762	0.1
98.05981	0.5
99.05502	0.2
99.09145	2.3
101.07076	0.8
102.05502	1.0
103.05367	0.5
105.06965	0.6
107.04887	6.2
109.02831	0.3
109.06453	0.2
110.06003	0.3
110.07114	1.6
111.05508	0.9
111.09161	0.2
112.03925	0.2
112.07535	0.1
113.07059	0.6
113.10717	0.2
114.05485	0.2
115.05401	5.4
116.04903	0.3
117.04942	0.2
117.05700	4.0
117.06974	0.5
118.06480	2.7
119.04890	14.6
120.08074	1.4
121.06441	0.7
122.05976	0.2
123.05494	0.1
125.03432	0.2
125.07087	0.9
126.05490	0.3
127.03881	0.2
127.05022	0.2
127.08622	3.9
129.06546	3.2
129.10199	4.0
130.04922	0.7
130.06490	18.8
130.08553	0.7
130.10493	0.2
131.04869	0.2
132.08051	28.6
133.06462	0.2
133.08403	0.5
134.05981	0.5
135.06718	0.2
136.07549	100.0
137.07088	0.1
137.07913	1.8
138.70891	0.1
139.08607	1.0
140.04915	0.6
141.06569	1.4
141.10181	0.9
142.06496	5.0
143.07222	1.0
143.11732	0.2
144.08058	14.8
145.06499	0.2
145.07556	0.7
146.05981	72.6
147.04419	1.3
147.06297	1.2
148.07536	2.0
151.04988	0.3
151.08658	0.2
153.06561	0.5
154.06499	2.1
155.08162	0.2
155.11746	0.2
156.06909	0.2
156.08028	0.9
157.07573	1.8
157.09673	0.2
158.05981	0.5
158.08389	3.4
158.09653	0.5
159.09140	73.1
160.07538	6.3
160.09509	1.6
162.05492	0.6
163.08670	0.3
165.10194	1.1
167.05978	0.2
167.08200	0.3
167.11742	0.5
168.06689	0.5
168.08006	0.7
169.07565	57.5
170.05963	16.2
170.08055	1.2
170.09625	0.5
171.06345	0.4
171.07693	0.4
171.09103	4.0
172.07458	0.7
174.05467	5.8
174.09058	0.8
175.08530	0.2
176.06940	0.2
177.10120	0.1
180.08072	0.2
181.06133	0.2
181.07600	1.7
181.09674	8.6
182.05945	1.0
182.08319	0.9
182.09755	0.2
183.09097	0.9
183.11235	0.6
184.07506	0.5
185.07085	3.9
185.08916	0.2
185.10704	0.7
186.10225	2.3
187.07005	0.3
187.08620	4.9
188.07013	0.8
188.10684	0.2
189.06520	0.5
190.04948	0.5
190.12212	1.2
191.08105	0.9
192.06529	1.1
192.10146	1.2
193.09702	0.5
195.05711	0.2
195.07590	2.1
195.11264	0.2
196.08690	0.2
196.11093	0.6
197.05516	0.4
197.07063	8.1
197.10727	2.9
198.05409	1.8
198.07228	0.2
198.12778	0.2
199.08687	1.9
199.10559	0.3
200.10588	0.5
200.13994	0.2
201.06627	0.1
201.08537	0.2
201.10178	0.3
202.08586	2.1
203.08160	1.1
203.09953	0.2
205.09639	0.3
207.09146	0.8
208.08774	0.2
208.10832	0.3
209.07066	1.3
209.09166	4.0
209.10771	0.7
210.10330	0.2
211.08684	0.3
211.10577	0.3
213.06633	0.3
213.10316	0.2
213.13835	0.7
214.09732	0.6
215.08107	1.4
215.11702	0.2
216.11308	0.5
217.09915	0.2
217.13271	1.3
219.11264	0.3
221.09135	0.1
222.12302	0.2
223.12328	1.0
224.08134	0.2
224.11784	0.6
225.06761	1.2
225.10254	2.6
225.13722	0.3
226.09848	1.4
226.11742	0.3
227.08185	0.3
227.11732	0.6
229.06036	0.2
229.09692	2.9
229.13307	0.2
230.08075	1.5
231.11238	0.5
233.12791	0.2
235.08461	0.2
235.14322	0.3
236.07857	0.2
236.10211	0.3
237.06563	0.2
237.10274	0.2
237.12250	0.4
238.09734	0.3
239.11684	0.7
240.15089	0.2
241.13315	1.9
242.09146	0.3
242.12868	1.1
243.07722	0.2
243.11351	0.2
244.10880	0.2
245.12801	13.0
246.12866	0.3
247.10704	2.2
248.10886	0.2
250.11768	0.9
251.11728	3.3
252.11259	0.8
253.09537	0.3
253.13277	1.9
254.09239	1.0
255.11119	0.2
255.14882	0.2
257.09143	3.0
259.10623	0.5
259.14319	0.2
260.10620	1.2
260.13852	3.1
262.11343	0.2
265.11737	0.5
266.09204	0.3
266.12628	0.2
268.14404	4.6
269.12619	1.1
270.12314	3.0
272.13904	0.2
272.17334	0.2
273.12271	34.3
274.12552	1.4
275.10062	1.3
277.13184	0.3
279.11212	0.5
280.10559	0.2
280.14301	0.6
281.09171	0.2
281.12628	0.6
282.12280	0.3
282.15805	0.6
285.08597	0.7
287.11652	0.6
287.14673	0.2
288.13336	2.3
290.14941	1.1
295.14014	0.2
296.13913	3.1
297.13226	0.2
298.11761	0.7
300.16974	0.2
301.11746	4.1
301.15393	9.1
302.11774	0.2
302.15286	0.8
308.13803	0.3
310.11792	0.2
315.11243	0.7
317.12598	0.2
318.14346	3.9
318.18048	8.1
324.13232	0.8
326.14865	0.2
328.16504	4.0
329.16550	0.3
330.14319	0.2
335.14932	0.2
344.15839	0.9
345.19064	0.6
346.17609	0.2
356.16010	2.3
357.15744	0.2
371.17001	0.3
372.15237	0.8
373.18500	0.7
374.16943	2.1
375.16650	0.7
379.17667	0.2
381.22577	0.8
384.15439	4.4
386.18869	0.5
389.18164	2.0
391.19620	0.6
399.16544	1.2
401.18073	10.5
402.16617	2.6
404.19189	0.2
413.18338	0.3
414.17902	0.8
416.16000	0.2
419.18756	7.6
427.23376	2.0
431.20667	0.6
432.18964	0.7
432.25415	0.1
433.18704	0.3
443.16986	0.2
446.23862	0.2
453.20999	0.2
455.22534	0.8
459.20068	1.4
481.21341	0.2
498.23703	1.1
499.19846	0.2
513.21185	0.3
514.23712	0.1
516.22198	3.0
517.21326	0.2
525.20911	1.0
526.22516	1.5
532.25360	0.3
533.24353	0.6
540.22119	0.3
542.23853	12.3
543.23138	0.8
544.22076	0.7
559.26685	1.0
560.24927	8.3
561.25012	0.9
562.26099	0.8
564.24023	0.1
568.21826	0.2
570.23407	8.8
571.23499	0.3
574.98816	0.2
577.27277	0.8
582.28076	0.7
585.24365	0.2
587.26038	11.2
588.24493	8.1
589.24518	0.6
590.29181	0.2
605.27094	2.4
618.29291	0.9
636.33795	0.2
639.28174	0.6
643.28516	0.2
655.30255	0.2
657.30042	2.3
661.29755	1.6
667.28467	2.7
673.32874	0.7
684.31506	1.2
689.29089	2.3
691.34094	0.7
701.32874	4.2
718.35144	1.7
719.34045	3.2
720.33966	0.2
746.30725	0.2
750.31641	0.5
772.33044	1.7
773.32489	0.2
790.33582	1.3
818.34479	1.4
830.33826	0.2
843.39349	0.5
903.35596	0.6
904.39862	1.7
913.38202	1.9
920.43329	0.2
930.41266	5.6
931.40802	0.9
932.38794	1.2
948.42181	2.0
958.40686	13.2
959.40833	1.4
976.41302	1.3
1045.44946	0.3
1061.48987	0.3
1079.49634	0.6
1084.16162	0.2
1089.50037	3.1
1090.48145	0.2
1107.49280	0.8
1118.10510	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	1107.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05414	12.0
81.03321	4.7
81.06979	31.4
83.04952	2.6
83.08537	4.5
84.08070	4.0
85.02827	76.4
86.09634	5.1
91.03876	32.8
91.05414	13.5
93.06975	33.1
95.01255	37.9
95.04954	3.8
95.08535	69.8
97.02814	42.5
97.10133	2.8
103.03896	2.9
105.06969	38.1
107.08530	48.6
109.02837	9.8
109.06461	2.9
109.10107	49.6
110.07101	4.2
111.08028	14.8
113.02263	4.5
113.82476	2.5
115.03870	5.6
119.08527	41.4
121.10088	40.9
123.11646	18.3
127.03873	23.5
131.08542	15.0
133.04941	3.1
133.10095	49.1
135.11662	26.9
137.13246	2.7
139.11136	5.9
141.01808	73.8
143.08553	9.8
145.04939	22.2
145.10094	28.8
147.11649	29.3
149.13257	31.1
151.11082	3.3
157.10115	13.7
159.02933	4.6
159.11661	35.8
161.13219	18.9
163.05983	19.8
163.14778	10.7
169.10149	5.4
171.11711	11.8
173.13237	24.5
175.14751	17.6
177.16391	14.7
183.11662	4.5
185.13179	9.4
187.14690	18.3
189.16335	17.4
191.17844	5.0
197.13210	4.2
199.14772	13.1
201.16324	35.4
203.17918	25.0
205.15833	4.7
207.17390	4.1
211.14854	3.8
213.16269	10.6
215.17995	17.4
217.19411	5.5
219.17432	17.6
227.17905	8.8
229.19594	2.5
233.18962	9.8
245.18919	2.8
267.20911	4.5
269.22766	3.4
281.22601	2.6
321.08167	2.8
363.30576	2.5
381.31415	5.5
399.32486	3.5
403.33286	12.9
409.34509	4.5
421.34558	90.6
422.34830	3.8
423.36353	3.8
439.35645	100.0
457.36624	61.1
553.38776	5.7
571.39429	12.3
597.37469	14.9
615.38757	10.4
968.98871	3.0
1013.37708	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	1107.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05402	12.8
81.03352	1.5
81.06971	35.1
83.04902	1.6
83.06016	2.4
83.08539	6.9
84.04424	5.2
84.08050	10.2
85.02823	70.9
86.09637	10.9
87.34198	1.0
91.03872	24.4
91.05399	16.0
93.06970	32.3
95.01252	32.1
95.04889	2.6
95.08532	66.5
96.08871	1.3
97.02821	49.6
97.06458	1.5
97.10079	4.9
99.00763	2.2
101.02289	1.6
103.03874	2.6
105.06970	33.1
107.08538	47.7
109.02833	4.3
109.06509	1.3
109.10103	47.2
110.07112	9.8
111.08023	11.0
111.11641	1.3
113.02291	2.5
115.03874	10.2
117.06956	4.0
119.08530	43.2
121.10097	40.4
123.00769	1.9
123.11648	12.5
125.09560	4.1
127.03868	18.1
129.06911	1.4
129.10190	5.3
131.03372	1.8
131.08548	16.9
133.04956	2.0
133.10083	40.6
135.11646	28.9
137.09532	1.8
137.13205	4.7
139.11150	6.6
141.01801	78.2
143.08562	7.9
145.04939	22.3
145.10095	28.3
147.11664	34.1
149.09605	2.2
149.13235	28.6
151.11185	3.7
151.14870	1.3
155.08382	2.3
156.09282	2.2
157.10115	9.9
159.02829	9.0
159.11653	34.6
161.13205	24.8
163.05968	24.4
163.11119	2.5
163.14780	13.2
165.12714	1.9
169.10068	6.8
171.11639	9.0
173.13216	22.1
175.14766	17.7
177.03905	2.4
177.12720	2.1
177.16344	14.2
183.11647	6.2
185.13229	9.6
187.14761	17.4
189.12726	1.6
189.16324	19.3
191.14302	1.4
191.17952	5.3
193.15958	1.1
195.11607	2.3
197.13138	5.6
199.14749	13.0
201.16354	25.6
203.17920	17.1
205.15813	9.2
205.19203	1.2
207.17456	3.6
211.14799	6.6
213.16327	10.0
214.27237	1.2
215.17883	17.0
217.15851	5.3
217.19482	5.6
219.17375	10.8
221.18959	2.5
225.16267	2.1
227.17897	7.6
229.19344	5.6
231.17348	2.5
233.19005	7.0
237.16351	1.2
239.17848	2.5
241.19382	5.9
245.18909	10.1
251.17825	1.5
253.19449	2.2
255.21034	5.6
257.22473	1.1
259.20514	1.9
263.20148	2.2
267.21017	4.3
269.18790	1.2
269.22650	1.5
271.20514	1.7
271.24146	1.3
273.22058	2.0
283.20581	1.6
285.22034	3.9
287.23465	1.2
295.24060	1.7
299.23801	2.1
303.06866	1.3
313.25171	2.4
321.08109	5.3
323.27240	1.3
325.11313	1.8
327.26956	1.3
339.09052	1.7
339.26831	1.4
344.83084	1.2
381.31436	11.8
392.27844	1.2
403.33444	10.8
409.34647	5.4
411.36209	1.8
421.34549	94.1
422.34708	5.4
423.36414	7.4
433.62302	1.1
439.35614	100.0
440.36115	3.5
457.30600	2.2
457.36609	40.4
458.36935	1.5
517.36749	1.3
535.37878	1.8
553.39044	7.4
571.39581	6.9
579.36444	5.1
589.40570	1.9
597.37830	15.3
615.38995	11.1
633.39392	1.4
1104.83032	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05407	7.5
81.03329	14.2
81.06966	33.7
83.06013	5.3
83.08556	6.5
84.04420	26.3
84.08057	54.1
85.02829	83.5
85.04742	3.4
86.09619	42.8
87.05522	3.6
91.03883	23.0
91.05394	15.9
93.04458	4.9
93.06956	26.1
95.01259	36.6
95.04846	4.3
95.08532	68.3
97.02827	49.4
97.10126	3.3
99.00748	3.7
99.04420	4.9
102.05504	3.3
105.06963	37.1
107.08536	61.4
109.02829	18.3
109.10115	47.6
109.67027	3.0
110.07109	51.6
111.08045	6.1
115.03876	12.5
115.08620	5.6
117.06933	4.3
119.08537	49.8
120.08064	20.0
121.10103	45.2
123.11662	18.2
127.03871	42.0
127.08637	3.9
129.10194	27.2
131.08517	7.0
133.04971	3.2
133.10101	37.1
135.11681	35.1
136.07565	5.0
137.09518	3.9
139.11113	3.8
140.99515	3.4
141.01796	70.7
143.08542	5.7
143.11818	3.5
145.04936	19.9
145.10072	28.6
147.11658	36.7
149.13162	29.7
155.08162	4.9
157.10051	12.3
159.02881	7.0
159.07788	3.2
159.11656	42.6
161.13211	24.7
163.05957	19.2
163.14783	13.7
167.08054	4.2
169.09926	3.4
171.11598	13.7
173.13202	22.9
175.14778	18.3
177.16406	13.5
183.11568	4.9
183.14806	4.8
185.13100	13.6
187.14746	16.4
189.16356	19.0
191.17825	4.4
197.13089	3.5
199.14792	6.4
201.16389	33.9
202.64384	3.3
203.17967	14.9
205.15846	14.4
211.14644	5.7
213.16341	5.6
215.17899	19.6
215.32396	3.1
217.15771	3.6
217.19400	6.0
218.90329	3.0
219.17380	7.2
227.17992	4.6
231.17389	5.1
233.18996	5.6
239.18030	3.4
241.19489	4.3
245.18874	3.8
259.20261	4.2
299.23666	3.2
403.33496	7.0
409.34589	4.8
421.34503	77.4
422.34357	3.8
423.36115	11.1
439.35638	100.0
440.35806	13.4
457.36624	44.4
553.39197	3.4
571.39551	7.0
597.37415	7.4
615.38086	5.7
924.04205	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	1107.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05415	7.7
81.03347	3.8
81.06506	0.8
81.06980	22.0
83.01253	0.8
83.04903	2.0
83.08543	4.0
84.04436	4.0
84.07601	0.6
84.08071	12.1
85.02831	47.0
85.06451	0.5
86.03126	0.5
86.09618	3.0
87.00754	0.4
87.04395	0.9
88.03899	0.7
91.03342	0.7
91.03886	15.4
91.05408	12.5
93.06976	18.7
95.01262	19.6
95.04907	3.5
95.08536	41.6
96.08878	0.8
97.02827	26.2
97.06421	0.5
97.10091	2.2
99.00755	1.8
99.04375	2.2
101.02320	1.0
101.07076	0.7
102.05492	0.6
103.03912	3.1
103.05433	0.4
105.06271	0.7
105.06981	22.3
107.04897	0.7
107.08542	31.2
107.65163	0.4
108.08848	0.6
109.02821	2.8
109.06450	2.7
109.10116	27.3
109.10871	0.9
110.07108	2.7
110.09602	0.3
110.10464	0.5
111.00763	0.4
111.04375	0.5
111.08035	8.0
111.11658	0.6
111.16979	0.4
112.08550	0.4
113.02303	3.3
115.03902	6.5
117.06957	4.0
119.04888	0.8
119.08541	26.6
120.08055	2.6
120.08825	0.7
121.06426	0.7
121.10103	24.0
123.00739	0.8
123.08019	1.9
123.11665	8.9
125.09584	2.4
125.10437	0.4
127.03880	11.0
129.10201	4.4
130.04924	0.5
130.07729	0.5
131.03380	2.0
131.08533	9.2
133.04936	0.8
133.10107	32.4
134.10384	0.9
135.08014	1.6
135.11673	18.4
136.07579	4.1
137.09601	8.2
137.13217	2.6
139.11163	2.7
141.01811	49.3
141.06995	0.7
142.07805	0.8
143.08546	5.6
144.09291	1.6
145.02884	0.7
145.04947	14.0
145.06100	0.6
145.10110	20.0
146.10405	0.5
147.11674	21.6
149.02310	2.5
149.09592	0.9
149.13245	21.3
150.13574	0.4
151.03856	0.5
151.11168	2.4
153.01822	5.6
153.10121	0.5
155.08467	0.6
156.09276	1.0
157.10123	7.7
158.10786	0.8
159.02890	6.4
159.04205	0.8
159.11664	20.8
160.12262	0.6
161.13229	17.1
163.05995	12.0
163.11130	1.0
163.14793	6.7
165.12668	2.2
166.14372	0.5
169.10091	2.8
170.10764	0.7
171.11661	7.9
172.12456	0.8
173.09410	0.7
173.13240	13.9
174.13904	0.4
175.11217	0.5
175.14784	10.4
177.04024	1.5
177.12723	1.6
177.16351	8.4
183.11635	4.9
185.13232	7.7
186.13933	0.7
187.14772	10.7
189.12781	0.5
189.16353	11.7
191.14264	6.4
191.17940	5.1
193.15863	1.8
195.11514	1.5
195.17471	0.5
197.05891	0.6
197.13268	3.9
199.14786	9.1
200.15479	0.5
201.16357	18.7
203.14342	0.6
203.17909	10.2
205.15904	4.9
205.19322	1.3
207.17447	2.6
209.13245	0.8
209.15323	0.6
211.14734	4.0
213.16338	6.6
215.07039	4.4
215.17920	10.4
217.15881	2.7
217.19455	3.9
219.17403	8.7
221.18901	0.9
223.14732	0.7
225.16345	3.5
227.17863	5.6
229.15887	0.6
229.19534	3.6
231.17429	2.6
233.19044	3.3
235.20497	0.5
237.16312	1.0
239.17929	2.1
241.19405	4.5
243.06427	3.1
243.17487	0.8
243.21034	2.3
245.18922	5.8
247.20561	0.4
251.17862	1.7
253.04855	1.8
253.19539	3.2
255.21034	3.9
257.18970	0.8
257.22412	0.8
259.07928	0.6
259.20514	1.6
263.20239	0.5
265.19507	0.7
267.21045	3.6
269.18893	0.5
269.22577	2.1
271.05963	100.0
271.20538	2.1
272.06339	9.8
273.06207	0.6
273.22122	2.8
281.22549	1.8
283.05942	3.0
283.20593	0.5
285.22116	2.3
295.10172	0.8
295.23932	0.8
299.23615	0.6
299.43301	0.4
303.07068	0.8
309.26004	0.6
313.25198	2.2
321.08203	2.4
325.11209	1.0
327.26813	0.8
335.27289	1.7
339.09216	0.9
339.26782	0.5
353.28409	0.6
363.30322	2.8
365.28250	0.5
381.31451	6.9
382.31674	0.7
393.35501	0.4
403.33438	7.4
405.35068	0.5
409.34552	3.6
411.35806	0.5
421.34595	59.1
422.34872	4.1
423.36185	6.0
437.33914	0.8
439.35648	60.3
440.36014	5.1
455.34708	0.6
457.36703	12.8
458.36972	0.7
519.11340	11.7
520.11426	1.9
535.37476	2.2
552.19177	0.5
553.38739	4.0
571.39917	4.9
579.37054	3.6
579.44904	0.6
582.01392	0.6
597.29266	0.5
597.37811	10.1
598.37744	0.9
615.39026	5.8
616.39539	0.5
747.42267	0.6
977.08258	0.5
1133.93359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05409	11.1
81.03345	5.5
81.06505	1.3
81.06980	32.2
81.64123	0.6
83.01243	1.1
83.04901	3.6
83.08544	5.2
84.04410	0.8
84.08079	6.0
85.02832	75.3
85.06444	1.1
86.09608	1.3
87.04399	1.2
91.03347	1.1
91.03885	28.4
91.05402	13.8
93.06978	34.2
95.01264	34.3
95.04888	3.8
95.08538	67.8
96.08867	1.1
97.02827	38.6
97.06447	1.4
97.10094	3.5
99.00732	3.3
99.04376	3.2
99.08002	2.3
101.02322	2.4
103.03869	5.2
105.06983	36.2
107.04929	1.0
107.08547	52.4
108.08865	0.9
109.02834	5.3
109.06473	3.3
109.10113	42.0
110.07119	3.5
110.10458	0.7
111.08042	17.3
111.11711	0.7
113.02322	4.1
113.09607	0.7
115.03891	7.7
117.06979	4.4
119.08543	47.5
120.08855	0.7
121.06419	0.9
121.10108	42.5
122.10415	0.9
123.00755	1.2
123.08028	3.0
123.10203	0.7
123.11662	14.8
125.09583	2.8
127.03893	16.2
129.06931	1.3
129.10197	3.8
131.03398	2.4
131.08549	12.9
133.04941	2.8
133.10104	38.8
135.11658	30.3
136.07593	1.3
137.09631	3.4
137.13237	5.1
139.11157	3.7
141.01814	78.9
141.09106	0.8
142.07774	0.9
143.08588	4.3
144.09299	1.2
145.04950	20.6
145.10115	31.0
147.11676	33.2
149.09575	2.3
149.13245	29.0
151.11150	3.2
151.14854	0.9
153.12776	0.8
155.08401	0.6
156.09314	0.7
157.10117	11.8
159.02887	8.8
159.11674	32.3
160.12158	0.9
161.09557	1.0
161.13240	32.3
162.13615	0.7
163.06009	19.2
163.11169	2.9
163.14810	13.4
165.12721	3.0
169.10120	2.4
171.11658	9.9
173.09184	0.9
173.13229	18.1
175.11243	0.7
175.14799	22.5
177.03975	2.6
177.12746	2.6
177.16357	14.0
179.14264	1.0
182.10751	0.8
183.11641	3.7
185.13258	6.9
187.14804	15.8
189.12788	0.7
189.16362	20.2
191.14243	3.1
191.17938	8.1
193.15862	3.6
197.13203	4.1
199.14804	7.4
201.14481	1.1
201.16360	25.7
202.16647	0.8
203.14320	2.4
203.17957	22.9
205.15869	10.8
205.19464	1.0
207.17415	5.7
209.13231	0.9
211.14778	3.9
213.16348	6.5
215.17944	14.9
217.15862	4.1
217.19505	7.4
219.17422	13.5
221.19041	2.9
225.16315	3.2
227.17953	6.8
228.18617	0.8
229.19543	5.2
231.17400	5.2
231.20900	0.8
233.18938	5.2
237.16331	1.1
239.17921	2.6
241.19426	3.5
243.17352	3.3
243.21034	2.8
245.18979	8.0
247.20518	0.7
249.18495	0.7
251.17848	0.9
253.19427	2.9
255.21013	3.9
257.18814	1.2
257.22595	2.3
258.72256	0.6
259.20465	2.6
263.19937	2.7
267.21075	2.9
269.19025	0.8
269.22574	2.9
271.05951	0.9
271.20511	1.5
271.23871	0.9
273.22079	0.8
279.21100	0.6
280.73578	0.6
281.22610	1.4
283.20624	0.9
283.23904	1.2
285.22098	1.5
289.21628	0.7
295.10364	0.9
295.24121	2.4
297.22147	0.8
299.23779	1.4
303.07086	1.1
311.24045	0.7
311.27493	0.8
313.25070	1.2
321.07962	4.8
325.11328	0.9
327.26743	1.3
331.26324	1.3
339.09094	1.3
351.30344	0.8
363.30438	3.7
379.20761	1.0
381.31439	12.3
391.33527	0.9
393.35074	3.6
394.35773	0.7
399.32510	4.0
403.33640	6.1
409.34677	5.6
410.35397	0.8
411.36227	7.2
421.34601	60.1
422.34763	3.2
423.36111	3.8
427.35165	1.0
437.34256	1.0
439.35669	92.5
440.35971	6.3
457.36722	100.0
458.36978	6.6
535.37469	3.3
541.39014	0.9
553.38800	4.9
571.39709	9.2
579.36658	3.9
589.40698	5.5
597.37762	11.7
615.38922	12.7
633.39709	4.3
747.43262	2.2
762.51788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03852	0.7
79.05402	10.2
81.03331	3.8
81.06978	31.4
83.01280	0.8
83.04925	0.6
83.08537	5.2
84.04439	2.4
84.08085	4.8
85.02830	60.5
86.03173	1.0
86.09613	2.1
87.04421	1.1
91.03881	18.4
91.05400	14.3
93.06373	0.8
93.06975	34.6
95.01257	26.7
95.04885	4.3
95.08533	54.9
96.08855	0.8
97.02830	31.1
97.03462	1.0
97.06449	0.9
97.10103	2.3
99.00719	2.1
99.04375	3.1
101.02328	2.4
103.03881	3.3
105.06978	46.2
106.07364	0.7
107.08540	45.2
109.02830	4.3
109.06467	3.6
109.10108	35.1
110.07126	3.1
111.04427	1.0
111.08032	22.1
111.11720	0.6
113.02328	3.7
115.03907	6.8
117.06990	3.8
119.08539	43.9
120.08085	0.8
120.08871	1.1
121.06463	1.1
121.10097	32.7
123.00683	0.7
123.07996	2.5
123.11658	12.0
125.09597	3.5
127.03876	13.4
129.05438	0.8
129.06952	1.3
129.10222	3.0
131.03366	1.2
131.08534	15.6
132.08052	0.7
133.04948	3.0
133.10100	37.4
135.08023	1.2
135.11661	25.3
136.07506	0.8
136.11981	0.7
137.09592	0.8
137.13252	2.8
139.11177	2.8
141.01810	59.5
141.06975	0.6
142.02222	0.8
142.07738	0.9
143.08542	6.6
144.09302	1.0
145.04939	17.1
145.10104	29.3
147.11673	31.8
148.12132	0.9
149.09619	0.6
149.13240	23.2
151.11188	3.4
155.08470	0.8
156.09291	1.0
157.10097	10.4
158.10831	0.8
159.02870	7.2
159.11674	29.5
161.13228	40.5
163.05998	19.0
163.11200	0.7
163.14771	8.8
165.12723	2.3
167.08138	0.6
169.10104	3.5
171.11681	8.6
173.13216	15.0
175.14780	22.1
176.15088	0.8
177.04002	2.3
177.12741	1.1
177.16371	10.1
181.10069	0.7
182.10992	0.8
183.11668	3.1
185.13193	7.6
187.11089	0.7
187.14795	16.3
189.12540	0.6
189.16364	20.0
191.14171	1.2
191.17911	3.5
193.15878	3.4
195.11612	1.2
195.17467	1.0
197.13246	3.9
199.14769	9.6
201.16370	20.6
203.14275	2.5
203.17947	11.8
205.15858	7.2
205.19460	1.0
207.17377	7.0
211.14818	3.6
213.16365	6.6
215.17949	14.7
216.73561	0.6
217.15880	4.5
217.19421	4.5
219.17441	9.7
223.14835	1.9
223.16956	1.2
225.16321	3.7
227.17992	7.8
229.15852	1.0
229.19527	3.4
231.17387	3.1
233.18930	5.7
236.57582	0.6
237.16360	0.9
239.17894	1.3
241.19499	3.1
243.21085	2.2
245.18999	4.9
247.20413	1.3
253.19415	2.3
255.21004	4.2
257.22485	0.9
259.20618	1.1
263.20035	1.3
267.21033	2.3
269.22601	2.4
271.20480	2.2
273.22131	2.6
281.22675	1.0
283.20609	1.4
283.24225	0.7
285.22067	2.4
287.23642	0.9
295.10046	0.9
295.24063	1.1
299.23676	1.0
303.07098	1.0
307.24457	0.6
311.23770	1.1
313.25238	1.0
321.08051	4.5
323.27298	0.8
339.09067	2.6
363.30652	4.2
379.29630	1.4
381.31451	26.8
382.31677	1.3
387.92880	0.6
403.33420	5.0
405.34995	0.7
409.34601	5.4
419.32999	2.5
421.34579	70.1
422.35013	5.6
423.36060	6.2
425.33765	1.2
427.35596	2.9
437.34024	4.4
439.35645	100.0
440.35898	5.8
441.37006	0.7
455.34824	3.0
457.36661	12.5
463.35828	0.8
473.36005	0.7
477.33597	0.9
495.34573	4.1
513.35681	3.5
517.36407	0.8
535.37659	2.7
538.51910	0.8
539.33270	3.4
553.38550	5.7
557.34509	2.3
571.39771	9.5
572.40259	1.1
579.36987	4.4
585.37463	0.9
589.40698	2.8
597.37885	16.4
613.87805	0.6
615.38904	9.7
616.39380	1.0
724.06195	0.7
810.41766	0.7
859.60901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05409	17.2
81.03320	10.1
81.06971	37.4
83.01237	1.6
83.04882	2.0
83.06022	2.8
83.08523	7.7
84.04420	9.1
84.08064	19.0
84.83685	1.3
85.02825	89.2
86.09639	13.3
91.03886	32.8
91.05403	20.2
93.04459	1.7
93.06964	37.6
95.01253	41.8
95.04884	6.1
95.06023	1.4
95.08532	73.2
96.08871	1.7
97.02821	52.7
97.06456	1.9
97.10090	3.2
99.00715	1.9
99.04387	3.1
101.02294	1.7
101.07080	2.7
102.05466	2.6
103.03863	5.7
105.06977	35.2
107.08533	52.8
108.08842	2.2
109.02826	12.6
109.06475	3.2
109.10101	60.2
110.07108	28.2
111.08049	14.3
113.02272	6.7
114.35851	1.5
115.03876	10.7
115.08648	1.4
117.06950	1.9
119.07677	1.9
119.08530	51.7
120.08032	7.2
120.08863	2.0
121.06421	2.1
121.10095	51.5
123.11668	20.5
125.09570	2.1
127.03881	26.5
127.08643	1.8
129.06850	1.9
129.10191	13.7
131.08537	17.8
133.04935	1.9
133.10088	53.0
135.08037	2.5
135.11653	33.1
136.07538	2.4
137.06013	1.4
137.09520	1.7
137.13202	3.6
139.03885	1.6
139.11153	6.1
141.01801	92.1
141.10178	1.9
142.07716	3.3
143.08510	9.0
144.09308	2.1
145.04933	21.9
145.05995	2.1
145.10110	33.5
147.11664	41.1
149.09621	2.0
149.13246	35.6
150.13612	1.7
151.11168	2.8
155.08244	2.3
156.09273	1.9
157.10078	17.7
159.02888	10.5
159.11662	35.9
160.12294	1.6
161.13220	32.2
163.05992	23.7
163.11124	2.3
163.14792	18.0
165.12733	2.7
169.10045	2.9
171.11609	13.5
173.13210	25.7
175.14769	26.1
177.03922	2.9
177.12682	3.6
177.16338	16.4
181.09799	1.9
183.11623	8.6
184.12360	1.9
185.13216	10.8
187.14771	18.2
189.16359	28.8
191.14194	5.0
191.17851	10.3
193.15868	2.3
195.11519	2.9
195.17523	1.9
197.13162	6.7
199.14761	14.6
201.16359	37.0
202.16638	2.3
203.17912	24.0
205.15858	8.1
205.19583	3.1
207.17340	6.5
209.13312	2.1
211.14752	6.8
213.16391	11.7
215.17876	16.6
217.15742	5.5
217.19460	6.5
219.17467	12.7
219.19246	1.5
225.16422	3.5
227.17990	11.3
229.19385	3.3
231.17444	2.4
233.18939	9.3
239.17854	2.7
241.19418	3.6
243.21059	3.0
245.18805	10.3
253.19536	1.7
255.21062	6.1
257.18805	2.5
257.22601	1.7
259.20511	5.6
267.21027	3.6
269.22461	2.0
273.21988	2.8
285.21967	3.6
299.23596	2.0
303.07184	2.1
321.08130	3.0
339.09222	1.8
363.30582	2.6
381.31274	11.2
400.19711	1.9
403.33661	12.2
405.34747	2.1
409.34354	5.2
419.32855	2.3
421.34552	91.9
422.34897	2.9
423.36008	11.8
424.36420	2.6
426.06619	1.6
437.33893	6.2
439.35620	100.0
440.35928	5.9
455.34827	2.8
457.36673	39.4
458.36703	2.3
505.36307	1.7
521.29633	1.8
535.37903	2.8
553.38269	7.2
571.39819	10.8
579.35815	5.4
597.38068	15.1
600.24640	1.7
615.38385	7.5
745.51434	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	1107.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05412	15.9
81.03355	7.7
81.06979	50.1
83.06030	17.9
84.04440	32.5
84.08071	100.0
85.02823	87.7
86.09634	22.4
89.99944	3.7
91.03891	20.4
91.05415	29.2
93.06983	30.1
95.01255	35.2
95.04927	5.2
95.08547	68.6
97.02846	50.4
97.10125	5.8
99.04408	7.3
100.82218	4.8
101.07074	5.0
105.06976	47.6
107.08551	60.1
109.02842	9.7
109.10130	56.5
110.07125	44.9
111.08051	7.8
115.03857	7.2
115.08655	7.2
117.06995	6.4
119.08533	44.9
120.08071	7.7
121.10083	43.6
123.11689	7.5
127.03877	28.4
127.08688	5.4
129.06535	4.7
129.10187	49.0
130.04997	4.2
131.08539	18.3
133.10095	59.5
135.11656	25.6
136.07579	28.2
139.08667	5.0
141.01796	67.9
141.69977	5.3
145.04935	24.3
145.10123	50.3
147.11655	30.5
149.13235	30.3
155.08243	4.4
157.10063	6.7
159.02864	9.5
159.11719	47.5
161.13234	31.3
163.06018	8.8
163.14906	8.7
166.78780	5.1
171.11574	10.8
173.13217	18.5
175.14880	23.0
177.16351	9.9
185.13181	7.5
187.14796	26.1
189.16393	28.2
197.13275	5.4
199.14778	16.8
201.16290	36.6
203.17966	24.2
211.14725	5.0
213.16397	5.3
215.17946	5.8
217.15945	4.8
219.17439	5.5
227.17860	6.3
241.19519	7.9
245.18805	5.0
321.07986	6.8
381.31412	8.6
403.33551	8.2
409.34430	5.7
421.34558	72.6
439.35657	88.2
457.36584	24.6
513.62964	4.4
571.39917	6.8
597.37946	8.7
697.85382	4.9
1038.77637	6.7
1105.77881	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	1111.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03338	0.1
82.78779	0.1
91.05395	0.9
98.23319	0.1
110.07133	0.1
111.69518	0.1
114.41056	0.1
115.05388	0.1
119.04875	0.5
121.02801	0.1
128.06165	0.3
129.06950	0.5
130.07164	0.1
131.04848	0.1
131.08536	0.1
133.02805	0.5
134.03633	0.1
137.02310	5.0
141.06923	0.1
143.04813	0.1
143.08528	0.3
145.02837	0.9
149.02338	0.4
150.13361	0.1
152.06197	0.4
153.06996	0.8
157.06468	0.6
165.06943	0.1
171.08005	0.7
181.06422	1.9
182.07129	0.1
184.05122	0.1
185.05968	0.1
197.05865	0.1
199.07516	7.7
200.07854	0.2
209.05911	0.2
210.06731	0.1
211.07495	0.3
227.06985	3.7
231.59598	0.1
237.05438	1.7
255.06462	100.0
256.06784	3.1
348.54819	0.1
503.11725	7.7
504.11975	0.3
825.82233	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	1111.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
77.79172	0.9
79.05393	4.0
81.06976	12.4
83.04902	38.6
83.06018	2.2
83.08551	1.9
84.04425	11.2
84.08068	56.7
85.02827	100.0
85.08415	4.0
86.03133	1.1
86.09624	17.9
87.05502	4.4
88.03897	2.1
91.05392	9.7
91.34133	0.8
92.10833	1.6
93.04455	1.1
93.06958	11.5
94.04108	1.1
95.01254	4.3
95.08533	20.6
97.02834	1.3
97.10078	1.2
101.02319	11.1
101.07106	1.8
102.05471	3.9
103.05418	1.8
105.06958	11.8
105.91433	0.8
107.08527	14.6
109.10102	15.5
110.05994	1.1
110.07116	11.7
110.09641	1.0
111.04389	22.3
111.05527	0.9
111.08044	1.3
115.08617	1.8
116.07003	1.0
119.04909	3.5
119.08526	14.2
120.08054	28.1
121.08455	0.9
121.10107	12.0
123.11654	5.5
125.00010	1.1
127.03880	29.4
127.04842	1.8
127.08632	1.2
127.76660	0.8
129.05440	13.2
129.06326	1.4
129.10196	30.2
130.10461	1.6
131.08588	3.4
133.10094	10.2
135.11703	8.0
136.07561	18.6
137.13223	1.3
139.04967	1.7
139.08638	1.3
140.14290	0.9
141.01822	7.0
141.10199	4.7
143.08466	1.0
143.11725	1.4
145.04933	16.2
145.06006	1.5
145.10107	7.3
147.11674	11.5
149.13174	7.3
149.84526	1.0
154.87515	0.8
155.08142	1.5
155.11699	3.2
157.09993	3.6
158.09590	1.3
159.07701	1.1
159.11633	6.9
161.13164	6.6
163.14781	1.7
169.09717	5.1
169.13336	1.7
171.06476	54.8
171.11522	1.2
173.13171	7.1
175.14780	4.7
177.16367	4.8
180.66127	0.9
181.06125	1.2
183.11339	1.8
184.07254	3.9
185.09142	3.7
185.13091	0.8
186.12207	1.2
187.14754	4.6
189.07521	23.8
189.16331	5.8
191.17868	1.7
195.11299	1.5
197.12808	1.0
199.14676	1.8
201.16350	10.0
203.18013	8.7
205.15787	1.7
213.08684	3.5
215.17923	5.5
217.08061	1.1
217.19492	7.1
221.12828	2.2
227.17946	4.0
229.19499	3.7
243.21039	1.2
245.19009	1.6
252.13469	1.2
255.20981	1.4
257.22549	1.5
270.14560	1.2
281.22623	1.0
297.69473	1.1
333.11771	1.4
365.31970	1.8
405.35028	12.1
423.36124	47.9
424.36429	2.1
441.36884	2.0
581.37628	4.0
599.39661	3.2
1026.20349	1.4
1052.98584	1.1
1070.89111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1114.6202
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05415	2.6
81.06976	2.7
84.04430	2.2
84.08074	5.5
86.09632	63.2
87.09983	1.3
91.05417	1.4
92.10305	0.4
93.06966	1.8
95.04891	0.5
95.08540	1.6
98.98412	5.3
99.37529	0.3
101.07069	0.3
103.81022	0.3
104.10688	90.5
105.06985	0.4
105.11026	2.0
107.08540	0.6
109.10107	0.4
110.07109	1.3
117.18657	0.3
120.08057	3.5
121.10092	0.7
124.99973	37.9
127.62283	0.3
129.10216	3.5
132.66010	0.3
136.07562	1.7
143.01089	0.6
143.90872	0.3
144.77542	0.3
146.98195	0.5
163.01509	1.2
184.07317	100.0
185.07790	2.1
185.09149	0.4
196.04605	0.3
210.65126	0.3
258.10913	0.4
296.12827	0.3
335.25732	1.2
367.65326	0.4
441.24084	0.5
500.31259	7.2
518.32385	66.8
519.32715	6.6
540.30829	0.6
541.30548	0.4
688.30463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05413	7.4
79.34103	1.2
81.06976	21.1
83.04897	8.3
83.08530	6.0
84.08076	18.9
85.02828	47.1
85.08405	1.9
86.09617	5.9
91.03872	2.0
91.05403	13.4
93.06970	20.0
95.01268	11.9
95.04875	1.7
95.08535	52.1
97.02814	5.4
97.10114	1.4
99.00760	1.3
101.02281	1.7
103.59923	1.2
105.06989	23.8
107.08541	35.5
108.41269	1.2
109.06447	1.5
109.09402	1.9
109.10111	34.8
109.10843	1.3
110.07167	4.2
111.04415	5.2
111.08035	2.8
111.11687	1.5
113.02326	1.7
117.06973	2.1
119.08544	27.8
119.70823	1.2
120.08057	6.8
121.10104	24.5
123.11648	15.6
127.03841	5.7
129.05450	9.9
129.10170	8.8
131.03450	1.4
131.08524	9.3
133.10112	25.2
135.11674	19.9
136.07571	3.0
137.13234	2.9
141.01817	21.0
143.08551	2.7
145.04970	1.8
145.10127	17.2
147.06494	2.1
147.11667	19.9
149.13231	14.9
157.10086	5.8
159.02844	1.6
159.11674	19.4
161.13208	20.4
163.14801	9.6
165.12752	1.8
169.66685	1.3
171.11607	5.8
173.13239	13.0
175.14799	15.0
177.16344	14.4
185.13220	6.2
187.14806	11.5
189.16408	12.0
191.17908	7.7
199.14874	5.9
201.16386	18.4
203.17940	20.5
205.15823	5.7
205.19405	2.0
213.16293	5.0
215.17989	9.1
217.15883	3.1
217.19447	15.2
219.17484	1.4
227.17853	2.6
229.19427	7.4
235.96367	1.3
241.19467	5.3
243.21065	5.5
245.18974	1.7
255.21074	6.8
257.22626	5.3
267.21094	1.4
269.22531	6.8
271.24048	2.1
293.23007	1.5
305.92679	1.4
309.25775	1.4
365.31931	7.1
405.35153	25.2
407.36230	1.3
423.36142	100.0
424.36426	7.2
441.37006	1.6
581.38306	9.6
599.39307	10.5
1139.83557	1.5
1143.56934	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05428	9.5
81.06976	21.3
82.06499	1.5
83.04900	6.9
83.06013	2.7
83.08546	2.5
83.42268	1.2
84.04430	31.7
84.08073	71.1
84.34338	1.1
85.02835	40.2
85.03958	1.4
85.08395	2.5
86.05988	4.2
86.09628	45.1
87.05511	5.8
87.09989	1.6
88.03462	1.2
88.03921	12.9
91.03880	4.4
91.05398	18.0
92.10826	1.5
93.04460	1.1
93.06986	17.8
94.70262	1.1
95.01276	10.9
95.04910	5.9
95.06043	2.4
95.08537	45.9
96.04436	1.2
97.02832	8.2
97.10119	2.0
98.02426	1.3
99.05515	1.8
101.05943	1.2
101.07092	4.9
102.05475	7.5
103.05406	6.9
104.05225	1.7
105.06989	19.0
107.08537	33.8
109.06493	1.5
109.10115	32.9
110.07120	17.9
111.04423	6.7
111.08032	4.6
111.11675	2.0
112.08627	1.2
113.05952	1.6
113.07006	1.3
114.05517	4.8
115.03851	2.3
115.04984	1.5
115.08641	4.2
119.04884	2.3
119.08553	25.6
120.08060	51.2
120.08919	1.7
121.08399	5.9
121.10106	29.2
123.11655	13.9
126.05523	1.4
127.03838	1.1
127.04989	2.3
129.05458	8.1
129.06474	3.1
129.10207	38.1
130.04922	1.8
130.06532	1.6
131.08537	6.0
133.06090	4.4
133.10094	20.5
135.11678	15.1
136.07562	18.2
137.13231	1.8
139.08653	1.4
141.01805	23.5
141.06601	1.3
141.10222	2.7
143.08482	1.7
143.11761	1.8
145.10112	18.5
147.06522	2.2
147.11684	21.7
148.69809	1.1
149.13289	11.6
151.11133	1.3
153.06593	1.4
155.08234	1.8
155.11739	2.2
157.04938	1.4
157.10043	6.7
159.07632	2.1
159.11670	16.5
161.13231	19.3
163.05898	2.2
163.14801	9.9
167.08170	1.2
169.09756	2.6
169.13344	1.7
171.07681	1.4
171.11565	5.8
173.13217	12.4
175.14798	10.9
177.16348	12.3
181.06053	2.0
181.09615	1.9
183.11420	5.4
184.07280	1.6
185.05606	1.5
185.13240	4.9
186.08846	1.7
187.14824	11.9
189.16364	13.2
191.17940	5.7
195.07674	1.6
197.12975	5.3
199.07170	2.1
199.10693	3.8
199.14806	5.7
201.16338	19.8
203.17979	17.2
205.15916	2.0
205.19510	2.4
207.17422	1.5
211.14885	1.4
213.08659	1.4
213.16354	2.6
215.17903	6.2
217.08145	2.0
217.19487	12.3
219.17203	1.7
221.12936	1.4
223.10770	1.5
226.08253	2.0
227.10228	2.1
227.17909	5.7
229.08215	1.6
229.19473	10.3
231.11684	1.4
231.21010	1.8
238.12059	1.4
240.13420	1.5
241.19493	2.2
243.21005	4.8
244.09213	4.8
245.18938	1.6
249.12263	1.9
255.21100	5.9
257.22607	4.6
269.22641	6.0
283.24127	1.3
313.25098	1.7
353.84784	1.1
365.31967	6.5
369.31430	1.4
374.17056	1.2
405.35217	20.9
406.35760	1.4
423.36151	100.0
424.21585	1.4
424.36362	5.7
441.37112	5.5
581.38159	11.1
599.39276	11.8
907.45752	1.4
1004.66638	1.5
1070.33386	1.5
1086.51270	1.6
1092.19568	1.5
1112.94348	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.5791
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05404	8.6
81.03331	1.1
81.06515	0.9
81.06979	24.7
83.04901	6.4
83.08536	5.9
84.04437	5.7
84.08063	12.2
85.02829	43.7
85.04758	0.7
86.09619	7.0
87.04388	0.6
87.05457	0.6
88.03946	1.0
91.03870	2.8
91.05401	9.0
92.64606	0.6
93.06969	21.5
93.73434	0.7
95.01263	14.1
95.04892	1.5
95.08531	52.0
96.08844	0.8
97.02824	5.5
97.10107	2.4
99.00774	0.7
99.04356	0.9
101.02295	1.0
101.07018	1.0
102.05478	0.7
103.03875	5.3
103.05377	0.8
104.05246	0.6
105.06982	21.9
107.04894	0.7
107.08537	34.1
108.08865	0.9
109.06438	0.6
109.10105	34.9
110.07088	3.6
110.10419	0.8
111.04382	5.3
111.08007	3.4
111.11652	0.7
113.02321	1.5
115.08633	1.0
117.06947	2.8
119.08536	25.7
120.08069	7.3
121.10097	30.3
123.11663	12.0
127.03860	3.0
127.04953	0.9
129.05411	7.9
129.06952	0.9
129.10216	7.0
131.08542	8.9
133.10094	23.7
135.11662	19.7
136.07498	2.7
137.13210	4.3
141.01802	25.1
143.08559	4.8
145.04855	2.1
145.10112	15.2
147.06482	5.6
147.11670	17.5
149.13226	15.1
151.03773	0.6
151.14784	1.2
155.11647	0.8
157.10057	5.5
159.02869	4.3
159.07594	0.7
159.11662	19.8
161.13223	22.0
162.13574	0.8
163.05959	3.4
163.11099	0.8
163.14764	10.6
165.12651	1.0
169.09978	1.1
169.13388	0.8
171.11603	6.0
173.13228	12.2
174.66660	0.8
175.14766	13.9
177.03894	0.9
177.16354	15.0
179.17943	1.3
183.11578	1.3
185.13232	7.5
187.14772	12.9
189.16357	12.3
191.17924	6.2
193.15802	1.1
197.13029	1.1
199.14775	6.0
201.16362	15.0
203.17947	18.5
204.18245	1.3
205.15875	2.7
205.19450	3.8
207.17390	1.3
211.14726	1.1
213.16423	5.0
215.17902	8.4
217.15900	3.7
217.19417	13.3
218.19803	0.8
219.17387	4.2
219.21117	0.6
221.18979	0.9
225.16333	1.1
227.17929	5.3
229.19482	10.2
231.08624	0.7
231.17326	1.1
231.20984	1.0
239.17949	0.9
241.19414	4.5
243.20956	7.4
245.19044	1.2
247.20525	0.9
253.19444	0.9
255.21066	5.2
257.22629	5.3
259.20477	0.7
267.20856	1.4
269.22589	6.8
271.24078	1.2
281.22357	1.0
283.24155	0.8
285.22052	0.9
295.24130	2.6
297.25681	1.2
305.08566	2.6
309.11725	1.2
309.25830	0.9
311.27344	0.7
313.25037	1.1
323.09711	1.1
365.31982	6.4
405.35117	24.9
406.35013	0.8
423.36136	100.0
424.36667	5.4
441.37125	5.9
525.39111	3.0
529.83661	0.7
581.38416	9.9
582.37970	0.8
599.31995	0.7
599.39386	10.5
820.35223	0.7
884.99908	0.7
1041.16724	0.8
1117.09106	1.4
1150.23059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0506
Annotation	Cytosine
Peak:m/z	Relative Intensity
52.01848	0.2
55.05455	1.4
56.96503	3.5
58.79796	0.1
58.97020	0.1
67.02913	0.3
67.52441	0.1
67.63508	0.1
68.01316	0.3
68.04963	0.2
68.62394	0.1
69.04475	4.9
70.06519	3.0
70.74180	0.1
71.02425	0.2
71.02897	0.8
76.51507	0.2
77.00835	0.2
80.03429	0.7
80.53494	0.2
83.06013	0.2
84.08064	2.4
86.01793	0.2
88.02310	0.6
88.52481	0.2
89.03967	0.2
89.52274	0.7
94.03978	2.0
95.02386	14.9
95.06019	1.6
96.04433	1.8
97.02826	0.2
97.52065	0.2
97.99090	0.2
98.01260	0.2
98.52791	0.2
98.97529	0.7
100.02392	1.8
102.02180	0.2
109.02897	0.2
112.05046	100.0
112.08674	4.0
112.11201	8.5
113.03477	0.2
113.05386	0.8
113.21896	0.2
116.98582	0.4
118.03485	2.2
119.01903	0.3
134.99600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04660	0.7
79.05402	9.4
81.03352	5.8
81.06979	27.3
83.04921	0.7
83.08537	4.5
84.04432	1.1
84.08072	4.9
85.02828	81.3
85.06461	0.9
86.09635	3.5
87.04379	1.3
91.03888	24.8
91.05406	10.6
93.06981	25.2
95.01257	31.5
95.04897	1.4
95.08535	59.3
97.02823	30.2
97.10105	2.0
97.11092	0.7
99.00748	1.5
99.04382	4.4
101.02327	1.7
103.03873	4.0
105.06976	40.9
105.39422	0.7
107.08542	42.0
109.02843	7.5
109.06476	1.5
109.10114	44.9
110.07114	1.9
111.08060	7.8
111.11672	0.9
113.02315	5.0
115.03902	1.4
117.06966	3.4
119.08545	38.5
121.10110	33.8
123.11665	15.7
125.09586	1.9
127.03896	21.9
129.10213	1.6
131.03343	1.2
131.08539	10.0
132.07942	0.8
133.10104	35.9
135.11649	33.3
136.07549	1.5
136.11981	0.9
137.13243	4.0
141.01810	64.8
143.08511	4.9
145.04944	24.9
145.10112	21.1
147.11670	35.9
147.12558	0.8
149.13251	18.2
151.11179	1.4
157.10071	5.6
159.02846	7.7
159.11682	20.0
160.63086	1.0
161.13231	23.2
163.06004	19.2
163.11029	0.8
163.14758	7.7
165.12744	1.2
171.11639	4.8
173.13235	10.2
175.14790	14.1
177.03923	1.8
177.16338	9.9
185.13211	4.0
187.14786	8.1
189.16368	14.2
191.17926	6.6
193.15810	3.4
195.11700	0.8
195.17340	1.2
199.14799	4.4
201.16380	15.2
203.17929	36.2
204.18404	0.9
205.15849	3.9
205.19473	1.7
207.17464	1.7
213.16359	4.9
215.17955	8.3
217.19507	12.4
219.17502	7.1
227.17929	4.5
228.18842	1.4
229.19484	12.9
231.17485	1.5
233.18910	1.6
241.19484	1.6
243.20975	4.9
247.20509	7.4
253.19502	1.2
255.20908	1.8
257.22690	6.2
261.22107	1.3
267.21078	1.7
269.22678	5.9
271.24136	1.7
273.22165	1.1
275.23575	1.2
283.24176	1.1
287.23373	1.4
295.23981	1.5
297.25690	1.9
315.26746	1.0
321.08157	7.5
325.11514	1.0
339.09109	1.7
365.31924	5.4
383.32813	1.5
393.35010	1.4
405.35126	21.8
423.36163	100.0
424.36450	3.8
441.37189	22.1
567.39636	1.0
581.38263	14.5
585.41248	7.3
599.39301	19.4
600.38995	1.4
603.42413	8.3
742.79242	0.9
761.43079	1.4
1148.10437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.5731
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05405	13.4
81.03336	5.0
81.06969	36.0
83.04896	18.9
83.08536	7.9
84.04434	2.4
84.08076	8.0
85.02826	100.0
85.06444	1.1
86.09621	4.3
87.04368	1.3
91.03874	6.7
91.05399	20.6
92.10300	1.4
93.06979	31.2
95.01254	27.5
95.04906	7.7
95.08535	66.6
96.08926	1.0
97.02814	16.4
97.06456	1.4
99.00747	1.2
99.04372	2.1
99.08044	1.6
101.02322	1.4
101.05976	1.4
102.05458	1.1
103.03878	3.9
103.05386	1.1
104.59118	1.0
105.06979	39.4
107.08537	55.6
109.02840	2.6
109.06453	5.0
109.09404	2.0
109.10108	51.9
110.07104	5.5
111.04357	10.9
111.08048	13.0
111.11672	1.3
112.08665	1.1
113.02318	5.1
115.03882	1.5
117.06944	4.8
119.08539	47.3
120.08044	4.5
121.06474	2.4
121.10096	42.9
123.11652	18.8
125.09632	1.6
127.03871	13.2
129.05453	14.5
129.06940	1.9
129.10193	6.3
131.03387	1.4
131.08540	17.3
132.08954	1.1
133.10104	49.2
135.11662	38.2
136.07507	1.4
137.09576	4.5
137.13234	2.1
139.11082	2.4
141.01807	54.4
143.08551	5.5
145.04933	9.3
145.10095	27.7
147.06483	6.9
147.11667	35.8
148.11992	1.5
149.09528	1.3
149.13234	33.0
151.03851	1.2
151.11073	1.4
151.14766	1.3
157.10126	7.8
159.02869	7.4
159.11674	37.8
160.12035	1.4
161.09644	1.6
161.13213	28.2
163.05981	7.3
163.11145	2.6
163.14787	17.8
165.12621	1.2
167.08394	1.1
169.04941	1.2
169.10027	2.6
171.11642	8.5
172.12454	1.5
173.13223	18.2
175.14789	22.0
177.03909	1.4
177.12692	5.9
177.16359	18.9
183.11600	2.3
185.13226	7.5
187.14784	14.0
189.12753	1.8
189.16347	22.1
191.14233	4.4
191.17911	9.2
193.15810	1.4
195.17343	1.5
197.13158	2.2
199.14751	8.2
201.16344	24.3
203.14305	1.8
203.17915	22.1
205.15874	10.1
205.19527	1.7
207.17436	6.2
211.14709	1.4
213.16257	9.8
215.17934	16.4
217.15846	4.6
217.19479	6.3
219.17439	10.8
221.18861	2.0
225.16284	2.2
227.17841	6.0
229.19414	6.1
231.17374	6.1
233.18929	5.3
237.18579	1.2
239.17876	2.4
241.19350	2.5
243.17380	2.0
245.18974	5.4
245.37531	1.2
253.19450	2.1
255.06375	1.4
255.08601	1.9
255.21150	1.5
257.22491	2.3
263.20087	1.7
269.22501	1.3
271.06097	2.3
271.20486	1.5
273.22119	1.6
281.22623	2.2
285.22147	1.4
299.23526	1.4
301.11603	1.1
305.08624	4.8
309.11871	4.4
311.23697	1.4
313.25165	4.0
363.30417	1.9
381.31345	9.6
393.34991	2.1
399.32483	4.0
403.33350	4.2
409.34476	6.8
411.35977	6.5
421.28970	2.4
421.34589	54.8
422.34787	6.6
423.36230	1.6
435.32306	1.4
437.33566	1.5
438.34241	1.9
439.35626	86.4
440.35965	5.5
453.33054	2.0
457.36667	91.4
458.36789	6.9
471.34500	1.9
568.87909	1.2
579.36731	2.2
597.37695	9.5
601.40173	2.4
615.38989	10.3
619.41345	1.6
633.39777	2.4
647.26239	1.1
734.84338	1.2
771.50177	1.2
968.71759	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04436	0.4
84.08074	1.4
91.05414	1.5
110.07120	0.6
119.04933	1.2
127.03922	0.6
129.10234	0.5
147.04431	1.5
153.01817	0.5
158.92938	0.3
160.58698	0.3
175.03905	1.9
184.02777	3.0
187.02800	1.3
197.05972	0.7
199.07515	0.4
200.05923	0.5
202.03865	3.6
207.06558	2.2
215.07056	1.7
217.08598	2.6
227.07022	0.6
235.09630	2.8
245.08066	0.7
248.09575	0.8
259.13077	0.4
264.13876	1.3
265.12149	4.9
266.10489	4.1
267.10910	0.4
267.13766	0.6
269.15222	0.4
273.07861	0.4
278.15280	0.3
279.10214	2.3
281.11810	1.3
282.14883	0.6
283.13257	15.2
284.11594	5.9
286.13358	0.3
291.10199	1.3
293.11798	0.6
297.11279	0.4
301.14313	5.9
302.12842	0.6
306.14941	0.4
308.12888	0.6
309.11176	9.4
311.12717	0.7
321.03888	0.4
323.17569	0.4
326.13947	1.4
327.12097	3.1
341.18573	5.2
342.18747	0.5
346.21619	2.0
348.14777	0.4
356.16690	0.4
357.14487	0.5
359.19757	1.9
360.19528	0.8
360.48639	0.4
364.22498	2.4
371.21283	0.6
375.15900	0.8
381.25644	0.5
389.22168	9.0
393.17053	1.3
407.23245	19.9
408.23212	0.6
425.24319	24.6
426.24475	1.7
437.25763	0.7
455.26840	2.0
473.28003	10.6
474.28067	1.4
491.28986	100.0
492.29233	8.2
551.31030	4.0
663.32813	0.6
689.34204	4.1
690.34937	0.5
715.35443	2.2
746.09851	0.4
851.62146	0.4
875.63672	0.4
1069.41516	5.2
1111.42749	4.6
1112.43835	0.7
1129.43762	13.8
1130.44177	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	1131.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05418	3.0
81.03327	2.1
81.06973	4.9
82.51538	0.5
84.04430	3.5
84.08069	5.8
85.02834	8.1
86.09630	3.9
91.05413	3.5
92.10931	1.9
93.06979	5.7
95.01254	5.1
95.08540	10.5
96.41512	0.4
97.02829	100.0
97.75936	0.5
98.03135	0.8
103.05357	0.6
105.06982	6.5
107.08533	7.2
109.02840	5.6
109.10117	9.4
110.07123	4.3
111.04425	0.7
111.08078	0.9
112.08684	0.6
115.03886	9.1
117.07014	0.6
119.04972	0.5
119.08547	6.2
120.08056	3.1
121.10110	6.2
123.11669	2.3
127.03882	3.3
129.10207	4.0
131.08543	3.0
133.10120	7.2
135.11653	5.3
136.07529	1.1
139.03841	3.8
140.12074	0.4
141.01820	9.7
145.10101	6.1
147.11687	5.0
149.13223	4.2
150.59212	0.5
157.04950	17.1
157.10101	1.2
159.02890	1.0
159.11647	6.2
161.13205	4.5
163.14790	2.1
169.10052	0.5
171.11555	1.2
173.13222	4.2
175.14833	3.4
177.16391	1.8
185.05539	0.5
185.13203	0.7
187.14818	2.6
189.16316	3.8
191.09312	0.5
191.17923	1.8
193.04994	0.7
195.17479	0.6
199.14827	0.8
201.16426	3.5
203.17964	3.0
205.15959	1.0
213.16393	1.0
215.18019	2.6
217.07042	10.6
219.17430	2.1
227.17990	1.1
229.07123	0.9
231.17448	0.6
233.18878	0.7
240.48654	0.5
245.19066	0.7
267.21042	0.5
403.33472	0.8
409.34482	0.5
421.34476	9.4
437.34012	0.6
439.35641	11.3
440.36230	0.6
457.36700	8.6
458.37405	0.8
597.37244	1.0
615.38617	3.4
747.41052	0.8
748.75378	0.5
868.21936	0.6
924.48889	0.7
950.84894	0.6
1003.46930	0.6
1008.58344	0.6
1030.22034	0.6
1034.06421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.6414
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05401	0.3
79.93393	0.2
86.09628	41.0
86.51181	0.2
87.09982	0.8
88.54710	0.2
91.05417	0.2
98.98400	8.8
104.10678	4.4
116.99447	0.4
124.99966	33.0
126.00317	0.3
143.01030	1.1
165.56505	0.2
184.07309	100.0
185.07721	1.7
200.21773	0.2
246.93645	0.2
314.68661	0.2
333.36694	0.2
432.14548	0.2
674.43555	2.6
712.45392	3.5
794.53235	12.0
795.53491	1.4
796.53845	0.7
812.54047	2.0
968.56024	1.0
971.61444	0.7
986.58588	1.7
1004.58264	1.1
1115.63440	1.4
1133.64221	4.3
1134.62671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.6429
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09627	41.8
87.09951	0.3
90.74249	0.2
93.43304	0.2
97.78901	0.2
98.98402	9.3
104.10679	4.9
116.99469	0.4
124.99963	34.7
131.24965	0.3
132.11433	0.2
143.00995	1.4
154.53546	0.3
184.07307	100.0
185.07582	1.8
243.41330	0.3
674.43689	3.2
675.43933	0.3
712.45483	4.2
713.45386	0.4
731.43579	0.3
794.38568	0.5
794.53180	14.0
795.53436	2.0
796.55029	0.9
812.54504	3.1
968.56757	1.3
986.58948	2.3
987.58130	0.4
1004.58411	1.7
1056.56970	0.4
1115.62988	2.1
1133.64124	5.5
1134.63037	1.2
1145.30212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05413	12.4
81.03336	4.0
81.06976	33.2
83.01266	1.8
83.04907	3.5
83.08541	5.4
84.04440	0.7
84.08057	2.1
85.02827	73.5
85.06463	0.7
86.03158	0.6
86.09630	0.7
87.04407	1.6
91.03881	22.8
91.05405	13.3
93.06973	30.6
95.00758	0.4
95.01256	28.6
95.04904	3.7
95.08532	62.3
96.08875	1.5
97.02825	31.1
97.06471	1.8
97.10105	3.5
99.00755	2.8
99.04369	4.2
99.08023	2.2
101.02306	2.7
101.07092	0.4
101.24871	0.4
103.03883	4.0
103.05396	0.8
105.06976	35.6
106.07291	0.4
107.08539	49.1
108.08874	0.7
109.02831	4.1
109.06453	2.9
109.10105	44.5
109.76677	0.3
110.07120	2.1
110.10411	0.6
111.08031	13.2
111.11686	0.5
113.02308	4.2
113.09587	0.7
115.03880	0.9
115.05419	0.5
117.05518	0.5
117.06979	4.3
119.08536	42.5
120.08060	0.7
120.08850	0.8
121.06441	1.6
121.10099	44.5
122.10469	1.5
123.00727	0.8
123.08009	2.9
123.11657	16.0
125.09582	3.7
127.03873	19.1
128.06160	0.4
129.06987	2.2
129.10248	2.0
130.07768	0.6
131.03375	3.3
131.08539	13.1
133.10098	42.2
134.10480	0.6
135.08037	0.5
135.11667	30.7
136.07611	0.5
136.11972	0.6
137.09561	2.5
137.13239	5.2
139.11189	4.2
141.01805	68.3
142.02164	0.7
142.07797	1.4
143.08531	5.4
144.09299	1.4
145.04939	21.8
145.10107	27.7
146.10791	0.4
147.11670	34.4
148.12038	0.7
149.09560	3.0
149.13237	29.5
150.13643	1.4
151.03838	0.4
151.11168	3.8
151.14793	0.9
153.12730	0.6
156.09355	0.7
157.10081	8.2
158.10860	0.6
159.02881	8.5
159.11661	29.5
160.12236	0.8
161.09573	1.8
161.13223	29.8
162.13597	0.6
163.05983	23.8
163.11163	3.8
163.14787	16.5
165.12711	3.1
169.10075	2.7
170.10904	0.6
171.11661	8.9
172.12439	0.7
173.13226	18.8
174.13655	0.8
175.11182	2.2
175.14784	21.8
176.15176	0.7
177.03920	3.0
177.12752	2.8
177.16353	17.6
177.17857	0.8
178.16846	0.5
179.14343	0.6
181.10031	0.7
183.11667	2.5
184.12558	0.5
185.13216	6.9
186.13988	0.6
187.14789	13.2
189.12718	0.8
189.16348	24.7
190.16771	0.8
191.14282	2.4
191.17908	9.7
193.15848	3.4
195.11557	0.5
195.17421	2.0
196.12424	0.4
197.13190	3.1
199.14754	6.1
200.15388	0.5
201.12732	0.5
201.16357	24.3
202.16708	0.8
203.14320	2.4
203.17928	25.5
204.18301	0.6
205.15845	10.8
205.19537	1.9
206.16267	0.4
207.17406	7.3
209.13261	0.9
211.14775	2.5
213.16325	8.3
215.14507	0.7
215.17923	17.9
216.18210	0.5
217.15979	3.7
217.19434	6.9
219.17406	11.2
221.19046	2.4
223.14787	0.8
225.16409	3.1
226.17032	0.5
227.17934	6.5
229.15857	0.6
229.19475	4.7
231.17374	3.8
231.21143	1.6
233.18942	6.7
235.16884	0.8
235.20610	0.7
237.16409	0.7
239.17996	2.7
241.19385	3.4
243.17426	1.9
243.20998	3.5
245.18985	6.8
245.22627	0.9
246.55600	0.5
247.20599	0.7
249.18483	1.4
251.17860	0.5
253.19521	2.2
255.20946	3.4
257.18988	0.5
257.22659	2.7
259.20599	2.2
261.22180	0.7
263.20062	2.3
265.19632	0.8
267.20956	2.6
269.22733	1.8
271.20587	2.1
271.24240	0.7
273.22095	2.2
281.22595	1.9
283.20712	0.6
283.24069	0.7
285.06055	0.6
285.22247	2.6
287.23834	0.6
289.21759	0.5
293.22705	0.9
295.24228	1.5
297.22134	0.4
299.23672	1.5
303.07095	0.8
307.24231	0.7
309.25699	0.7
311.23804	0.8
311.27075	0.6
313.25253	2.5
321.08081	7.1
321.25769	0.5
323.27292	1.4
325.11209	2.5
325.28668	0.5
327.26892	2.2
329.24707	0.6
329.28497	0.6
331.26208	1.6
333.25455	0.5
335.27591	0.5
339.09235	1.7
339.26822	0.5
341.28311	0.6
351.17819	0.4
351.26746	0.6
351.30566	0.8
363.30429	3.5
365.19302	0.7
365.28217	0.8
369.31677	0.4
379.29544	0.6
381.26645	0.6
381.31445	13.9
382.32117	0.6
391.33521	0.8
393.35165	2.6
399.32513	5.8
403.33478	6.4
409.34503	6.9
411.36209	8.2
412.36572	0.5
421.34573	63.5
422.34924	6.4
423.36197	2.0
427.35507	1.7
437.34094	0.5
439.35632	89.0
440.35980	8.1
441.37375	0.6
455.35260	0.4
457.36691	100.0
458.37006	7.4
501.76080	0.4
553.91174	0.4
565.38202	0.6
579.36737	3.1
583.39746	2.0
587.39154	0.8
597.37781	10.1
598.37640	0.6
601.40839	5.3
615.38867	13.2
616.39417	1.2
619.41443	1.6
633.39996	5.4
777.43823	1.5
790.14886	0.4
1005.09747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	1.1
54.03411	0.9
55.01806	0.7
55.02951	1.0
55.05453	53.4
56.04962	3.3
56.96502	7.6
57.03374	0.8
58.99792	1.6
59.52115	1.6
60.05582	23.9
60.92579	0.8
65.06040	1.7
68.04944	3.5
68.52636	2.9
70.06509	39.0
70.40047	0.9
71.02902	61.9
71.06846	1.2
71.52963	4.5
72.05554	52.2
72.08072	26.2
73.06339	1.6
76.56472	0.8
77.00813	1.6
80.03420	61.3
80.04922	3.5
80.53497	4.7
82.01356	1.8
82.53685	9.3
84.08068	1.2
85.72442	0.7
89.03951	7.5
91.00096	3.5
91.02313	1.3
91.52023	1.2
91.54227	3.2
94.54181	1.1
97.03955	0.9
97.07584	12.3
100.02392	19.7
100.02943	1.0
100.52454	1.4
101.02463	1.3
106.02784	0.8
111.53574	1.1
112.62029	0.8
114.05496	1.3
114.06635	1.4
114.10245	100.0
115.10689	0.8
118.03483	25.1
119.01898	1.9
121.95840	1.0
123.27691	0.8
131.01845	1.1
133.01550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.5987
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05414	0.6
81.03335	3.4
81.06976	6.3
83.08537	5.1
84.04430	0.2
84.08070	0.8
85.02831	0.5
85.06472	0.2
85.10105	8.0
86.09637	1.1
89.05949	0.5
93.06980	0.2
95.08531	10.5
97.10100	2.4
98.98399	31.8
99.04373	0.5
99.08031	0.2
99.11673	0.4
103.07531	0.2
109.02151	0.2
109.02832	3.0
109.10109	5.5
110.07149	0.1
111.11671	0.7
116.99461	1.6
117.09068	0.1
119.04897	0.1
120.08065	0.8
121.10076	0.2
123.11656	1.8
124.99980	0.4
125.13211	0.1
127.03898	0.6
129.10207	0.7
135.11655	0.1
137.13208	0.8
140.01067	0.2
145.04982	0.1
148.93828	0.1
151.14798	0.2
155.01019	20.9
163.05986	0.6
165.16406	0.2
172.01791	0.1
173.02077	1.7
181.75717	0.1
184.07278	1.0
186.95285	0.1
208.32547	0.1
221.22620	0.2
239.23659	2.2
240.23920	0.1
243.02596	0.2
257.24744	0.5
261.03687	1.9
299.05234	0.2
313.27313	100.0
314.27655	4.5
317.06256	2.3
335.07281	1.4
383.27869	0.1
393.23975	4.6
394.24332	0.1
401.28891	2.8
537.28125	10.1
538.28265	0.6
555.29193	5.3
556.29602	0.4
696.36670	0.1
979.80688	0.1
1108.27893	0.1
1125.76172	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	1155.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03336	16.3
81.06978	20.1
83.01268	0.4
83.04430	0.7
83.04898	12.8
83.08539	3.8
84.04428	1.5
84.08073	5.8
85.02827	58.6
85.06487	0.3
86.03165	0.4
86.09631	3.2
87.00751	9.9
87.04383	0.6
87.05466	0.4
91.03881	0.6
91.05404	8.6
93.06970	19.2
95.01262	7.2
95.04916	2.9
95.08532	44.2
96.08870	0.6
97.02824	16.0
97.06445	0.8
97.10099	3.4
99.00759	1.2
99.04379	5.8
101.02319	23.9
103.03869	1.3
103.05383	1.3
105.01808	5.6
105.06271	0.7
105.06975	18.2
107.04935	0.3
107.08541	28.3
109.02834	11.5
109.03532	0.6
109.06464	1.6
109.10107	30.7
110.07114	1.4
111.04383	12.2
111.08042	5.4
111.11633	2.4
113.02319	1.4
115.03893	0.6
117.01804	1.6
117.06965	2.4
119.04836	0.4
119.08533	27.2
120.08053	3.5
121.10094	25.8
123.00758	0.4
123.04385	1.2
123.11649	12.7
125.02332	0.4
127.03877	55.5
128.04222	0.6
128.06160	0.3
129.01775	0.5
129.05446	5.8
129.06960	1.4
129.10193	3.9
131.08534	6.5
133.10100	24.0
135.04373	0.5
135.07932	0.3
135.11658	17.6
136.07567	2.0
136.12044	0.4
137.08026	0.3
137.09573	0.3
137.13240	3.5
139.03914	0.5
139.11177	1.2
141.01802	13.9
142.07768	0.5
143.08563	3.0
144.09303	0.5
145.04941	36.9
145.10100	16.4
147.02797	0.4
147.06509	1.6
147.11670	20.8
149.13234	13.1
149.14380	0.6
151.03957	0.7
151.11201	1.3
151.14845	0.6
157.10072	5.1
158.10887	0.7
159.02849	9.8
159.11661	17.4
161.13217	18.9
163.14780	8.9
163.73351	0.4
164.15219	0.4
165.12724	1.5
169.04962	0.5
169.10046	0.6
171.02861	0.5
171.06557	0.4
171.11639	4.5
172.12373	0.4
173.13219	10.1
175.14784	14.3
176.15199	0.3
177.04002	0.4
177.12775	0.4
177.16344	14.4
177.17871	0.6
179.14189	0.4
179.17915	1.5
183.11613	1.2
185.13167	4.1
187.14783	10.6
188.15219	0.4
189.03955	0.6
189.16338	13.6
191.14305	0.7
191.17905	7.8
193.15866	1.2
195.06662	0.4
195.17618	0.4
197.13174	1.2
199.14751	5.4
199.16116	0.3
201.16360	18.3
202.61690	0.4
203.17924	19.0
204.18311	0.4
205.15851	5.2
205.19501	4.6
207.17436	2.4
211.14673	0.5
213.03998	1.4
213.16325	4.5
215.05489	3.3
215.17911	8.7
217.16187	2.3
217.19478	18.1
218.19748	0.6
219.17448	3.4
219.21078	1.7
223.14792	0.3
223.16884	0.5
225.16299	1.7
227.17880	7.6
229.19484	8.1
231.04955	22.2
231.17426	1.2
231.21083	3.2
233.06458	1.4
233.18996	1.2
235.20496	0.3
239.17976	0.7
241.19513	2.8
243.21037	4.2
245.18951	2.6
245.22652	0.7
247.20464	0.4
249.06018	11.5
253.19510	1.7
255.08611	0.5
255.21068	4.5
257.22617	3.9
259.20605	1.3
267.21011	1.9
269.22546	4.3
271.24048	2.2
281.22601	1.6
283.24149	1.6
285.22372	0.6
285.25702	0.6
295.24155	2.0
297.25720	1.8
305.08630	1.7
309.25787	0.7
313.25293	1.8
321.07968	0.4
321.25787	0.4
325.28839	0.5
341.08759	1.7
349.28906	0.5
359.09622	3.7
365.31964	6.6
365.36124	0.3
377.10403	2.3
389.07004	2.0
393.35001	1.8
395.36703	0.4
405.35068	24.9
406.35260	1.4
407.08118	2.1
407.36411	0.4
423.36136	100.0
424.36447	7.1
441.37195	9.5
442.37695	0.4
502.97794	0.4
549.39148	1.8
567.40289	4.9
581.38251	10.4
582.38654	0.4
585.40948	0.6
599.39380	6.9
617.40576	0.5
695.44720	0.4
815.64246	0.3
870.31012	0.4
1148.73181	0.4
1183.95544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1161.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03331	0.7
81.04425	0.3
81.06972	1.9
82.06498	0.3
83.06027	3.2
83.08566	0.3
84.04424	6.0
84.08071	13.6
85.02821	3.8
85.08398	0.4
86.09633	9.2
87.05531	1.1
88.03912	1.1
91.03883	1.1
91.05408	1.9
93.04456	1.9
93.06973	1.7
95.01247	2.4
95.06003	0.6
95.08531	3.8
96.04433	0.3
97.02825	100.0
98.03169	1.7
98.06007	0.2
101.07076	1.3
102.05481	1.7
103.05416	0.6
105.06976	1.7
107.08537	2.4
109.02839	1.2
109.10097	2.2
110.07118	16.2
110.09646	0.5
111.05504	0.3
111.07427	0.6
111.08089	0.4
111.09177	0.4
112.08658	0.7
115.03889	1.4
115.08648	0.6
119.08566	2.5
120.08067	4.2
121.10108	2.9
122.06018	0.3
122.07108	0.6
123.11641	0.5
125.07072	0.4
127.03896	1.2
127.05021	0.4
127.08642	1.8
128.10741	0.3
129.06587	0.4
129.10204	9.1
130.04961	0.4
131.08414	0.5
133.10126	1.8
135.11667	1.4
136.07553	2.1
136.08542	0.5
138.06575	0.3
138.09138	0.3
139.03885	22.0
139.08626	0.4
140.04230	0.2
141.01810	5.5
141.10193	0.5
143.08484	0.3
143.11732	0.4
145.04880	0.5
145.10130	1.4
147.11705	1.6
148.07518	0.4
149.13255	1.7
155.08211	1.2
155.11803	0.6
157.04942	8.6
157.06165	0.4
157.09897	0.7
159.02864	0.4
159.07668	0.6
159.11641	2.0
161.13257	1.7
163.11226	0.3
163.14862	0.5
166.06128	0.4
167.11847	0.4
169.09802	0.3
171.07643	0.6
171.11340	1.5
172.07115	0.3
173.13069	0.7
175.14857	0.5
177.16364	0.6
181.09601	0.6
183.11362	0.3
183.14948	1.6
184.07297	0.3
185.05579	0.4
185.09265	0.5
185.13075	0.5
186.08858	0.3
187.14603	0.5
189.08708	0.4
189.16354	0.6
195.08961	0.4
197.10405	0.3
197.13066	0.3
199.05959	7.1
199.10840	1.2
199.14729	0.4
201.16405	1.1
203.17989	1.1
205.15849	0.4
207.17554	0.3
209.10420	0.5
210.12410	0.6
211.14404	0.5
212.10385	0.4
213.12338	0.3
215.17981	0.3
216.09666	0.3
217.06999	12.8
219.17522	0.3
225.16051	0.3
226.11839	0.5
227.10213	0.5
228.13539	0.4
237.13535	0.6
249.09938	0.6
251.15248	0.3
265.13336	0.6
279.11401	2.0
280.11639	0.3
291.10995	0.3
297.12378	1.5
298.13077	0.4
309.12262	1.4
310.12823	0.7
322.34027	0.3
337.11789	1.9
338.12387	0.4
339.13330	1.3
340.13663	0.4
371.15939	0.6
409.34824	0.4
421.34717	3.6
423.35977	0.6
439.35681	4.3
457.36789	2.3
460.18811	0.4
478.20065	0.7
597.37769	0.4
601.26581	1.9
602.26910	1.3
633.29034	1.3
753.37061	0.3
960.41101	0.3
1021.34247	0.3
1035.61072	0.4
1037.54041	0.3
1103.41382	0.4
1121.54565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1161.5699
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03345	8.5
81.04469	0.3
81.06974	7.4
82.06513	0.3
83.01273	0.3
83.04912	0.5
83.06013	2.3
83.08559	1.2
84.04433	3.5
84.08070	8.8
85.02828	100.0
85.08415	0.3
86.03177	0.3
86.09628	7.0
87.00753	0.3
87.05522	0.6
88.03923	0.3
91.03893	4.2
91.05405	3.2
92.64355	0.3
93.04467	1.8
93.06974	6.4
95.01259	10.5
95.04908	1.8
95.06031	1.0
95.08537	12.7
96.08045	0.5
97.02825	81.7
97.10114	0.6
98.03178	0.3
98.05988	0.5
99.00742	1.2
99.04396	2.3
101.02315	0.5
101.07062	0.5
102.05505	0.6
103.03889	1.2
103.05376	0.4
105.06982	6.9
107.08543	9.5
109.02834	21.7
109.06480	0.6
109.10104	8.8
110.03101	0.3
110.07117	16.8
110.09644	0.5
111.04335	0.4
111.08025	1.7
113.02326	1.6
113.07012	0.4
115.03887	38.1
115.08614	0.4
117.06964	1.1
119.08546	8.4
119.09373	0.3
120.08067	2.8
120.08785	0.3
121.06412	0.2
121.10102	8.4
122.07129	1.2
123.00772	0.3
123.08037	0.3
123.11658	3.9
125.09607	0.6
127.03882	20.4
127.08671	1.1
128.04164	0.3
129.06906	0.3
129.10187	4.4
131.03363	0.5
131.08565	3.1
133.04982	0.5
133.10109	8.6
135.11655	6.4
136.08672	0.6
137.09634	0.5
137.13257	0.6
139.03915	2.3
139.11121	1.0
141.01807	21.7
141.10185	0.4
143.08548	1.6
143.11761	0.9
145.04977	2.6
145.10117	6.0
147.11664	7.7
149.09618	0.5
149.13232	5.9
151.11156	0.6
155.08163	1.4
155.09338	0.3
155.11818	0.5
157.04942	46.1
157.10100	2.6
159.02910	2.7
159.07669	1.2
159.11668	7.5
161.13214	5.5
163.06013	3.6
163.11058	0.3
163.14783	2.1
164.08203	0.3
166.06148	0.3
167.08092	0.4
167.09358	0.3
167.11798	0.3
169.04910	2.5
169.06149	0.3
171.11575	2.3
172.11052	0.3
173.13188	4.5
174.37897	0.2
175.11140	0.3
175.14801	4.4
176.11787	0.5
176.15083	0.3
177.03906	0.4
177.12677	0.3
177.16328	4.0
181.09624	0.4
183.11595	1.3
183.14899	1.3
185.09253	0.3
185.13135	2.3
187.05956	2.5
187.14754	4.1
189.16364	5.4
191.14433	0.3
191.17915	2.1
193.09846	0.3
193.15863	0.6
195.08946	0.3
195.17409	0.3
197.13100	0.9
199.14796	2.7
201.12314	0.5
201.16357	6.1
203.17929	3.8
205.15952	2.0
207.17455	1.4
209.10321	0.3
211.14734	1.1
212.10239	0.5
213.16284	2.1
215.17929	3.3
217.07036	31.7
217.16010	0.3
217.19540	1.4
219.17392	3.2
225.16216	1.0
227.17889	1.2
229.07033	1.0
229.19421	0.5
231.17468	1.0
233.18942	1.6
239.17911	0.4
240.13373	0.3
241.07173	0.3
241.19418	1.0
243.21040	0.6
245.19012	1.9
247.08026	1.6
247.20656	0.4
253.19580	0.5
255.21008	1.4
257.22723	0.5
258.14444	0.3
265.19092	0.4
267.21021	0.5
269.22729	0.5
271.20593	0.3
273.22018	0.4
281.22546	0.5
285.22180	0.4
289.09213	0.4
295.24139	0.3
313.25000	0.3
327.26791	0.3
381.31699	2.0
399.32727	0.4
403.33640	2.0
405.35071	1.0
409.34512	1.1
411.35910	0.4
421.34586	16.0
422.34842	1.3
423.36237	3.3
439.35620	19.5
440.36029	0.6
441.36877	0.5
457.36703	11.0
458.37033	0.4
469.31747	0.4
535.37323	0.5
553.38635	1.2
571.39557	1.3
579.36646	0.5
597.37726	2.1
615.38702	2.2
633.39612	0.6
919.23804	0.3
967.67560	0.3
1079.50073	0.3
1132.32507	0.3
1138.38391	0.3
1193.72998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1161.568
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03334	1.1
81.06968	4.5
83.04900	0.3
83.06007	1.1
83.08532	0.7
84.04424	2.6
84.08064	7.3
85.02826	7.8
85.08391	0.3
86.09628	4.1
87.04408	0.2
88.03914	0.7
91.03891	2.3
91.05405	2.4
93.04455	0.7
93.06965	4.7
95.01257	6.1
95.04893	0.3
95.06036	0.6
95.08535	8.2
96.04388	0.2
97.02821	100.0
97.10100	0.3
98.03134	1.2
98.05942	0.2
99.00724	0.2
99.04398	0.4
99.07992	0.2
101.02317	0.3
101.07072	0.4
102.05479	1.0
103.03883	0.6
103.05392	0.3
105.06985	5.2
107.08537	6.4
109.02825	1.3
109.06420	0.3
109.09400	0.2
109.10106	5.3
110.07111	8.0
110.07825	0.3
110.09611	0.3
111.04369	0.2
111.07421	0.2
111.08055	1.9
111.11715	0.2
112.03931	0.2
112.07552	0.2
112.08682	0.2
113.02316	0.7
113.07076	0.3
115.03871	6.9
115.08685	0.3
116.03406	0.2
117.06949	0.3
119.04883	0.2
119.08542	5.4
119.09344	0.3
120.08061	2.2
121.06499	0.3
121.10098	5.5
121.10931	0.3
122.10397	0.2
123.00745	0.2
123.08027	0.2
123.11660	1.6
125.07057	0.2
125.09575	0.6
126.05500	0.2
126.09143	0.2
127.03879	2.6
127.04838	0.3
127.08662	0.4
129.06676	0.2
129.10205	5.3
130.04984	0.2
130.08656	0.1
130.10646	0.1
131.03386	0.3
131.08551	2.2
133.10092	5.2
135.08061	0.2
135.11647	4.5
136.07562	1.2
136.08588	0.2
137.07001	0.2
137.09607	0.2
137.13231	0.6
139.03847	2.3
139.08653	0.2
139.11154	0.8
141.01805	13.1
141.06596	0.2
141.10196	0.4
143.03346	0.1
143.08578	1.1
143.11769	0.6
145.04892	1.4
145.10089	4.0
147.11673	4.3
149.09500	0.2
149.13228	3.2
151.03896	0.3
151.11128	0.4
151.14841	0.2
155.08199	0.8
157.04933	17.9
157.10043	1.6
158.10898	0.2
159.02838	1.2
159.07640	0.2
159.11662	4.7
161.09584	0.2
161.13214	3.8
162.10309	0.2
163.05984	2.3
163.11159	0.3
163.14767	1.8
165.12628	0.2
167.08067	0.2
167.43849	0.2
169.04865	0.2
169.09877	0.8
171.07576	0.2
171.11601	2.1
173.13206	3.0
175.05939	0.2
175.14767	3.0
177.03923	0.2
177.12729	0.3
177.16382	1.9
181.09621	0.3
182.12830	0.2
183.11566	0.7
183.14893	0.3
184.07127	0.2
185.09273	0.2
185.13229	1.1
187.14769	2.1
189.16367	2.8
191.14330	0.2
191.17934	1.0
193.04871	1.5
195.17503	0.2
197.13139	0.7
199.10864	0.2
199.14792	1.4
201.16347	3.5
203.14204	0.3
203.17934	2.6
205.15834	1.4
205.19583	0.2
207.17436	1.0
211.06017	1.0
211.14732	0.6
212.10300	0.3
213.08682	0.2
213.16319	1.4
215.14540	0.2
215.17917	2.7
217.04915	0.4
217.07014	11.6
217.15942	0.3
217.19452	1.0
218.07327	0.2
219.17442	1.4
225.16296	0.2
226.08153	0.2
227.17928	0.9
229.07060	0.3
229.19550	0.7
231.17355	0.5
233.18936	0.8
237.16333	0.2
239.17711	0.3
241.19427	0.7
243.21048	0.3
245.18956	1.3
247.20503	0.2
251.17734	0.2
253.19640	0.4
255.21046	0.7
257.22574	0.2
259.08118	0.4
259.20505	0.3
263.20154	0.2
267.21112	0.6
269.22568	0.2
271.20450	0.2
273.22144	0.4
281.22604	0.2
283.24097	0.2
285.22122	0.3
289.09158	0.2
311.23672	0.2
313.25125	0.5
321.08295	0.2
327.26978	0.2
349.11200	1.0
363.30493	0.5
381.31577	1.8
391.33157	0.2
399.32507	0.6
403.33453	1.3
409.34467	0.9
411.36227	0.3
414.16730	0.2
416.03156	0.2
421.34576	9.5
423.36096	0.6
439.35626	11.5
440.35922	0.7
457.36646	7.4
458.36990	0.3
477.50616	0.2
553.38922	0.5
571.39679	0.2
579.36414	0.3
597.37769	2.0
603.34772	0.2
615.38562	1.4
629.67218	0.1
633.40387	0.2
745.57898	0.2
756.44739	0.2
784.72083	0.2
813.44952	0.2
936.44165	0.2
951.84454	0.2
1008.25824	0.2
1055.50085	0.2
1108.80664	0.3
1148.96973	0.2
1150.00818	0.2
1168.27649	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	1167.5789
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03345	0.5
81.06989	2.9
83.06025	0.6
83.08541	2.6
84.04431	6.3
84.08069	5.3
85.10104	4.7
86.09635	10.1
87.05486	0.5
87.09962	0.6
91.05395	0.9
92.10308	1.1
95.08533	4.8
97.10135	0.7
98.98427	0.7
101.07082	2.0
107.08569	0.5
109.10137	2.9
110.07128	2.3
113.84029	0.4
115.08694	0.6
120.08058	4.1
120.96607	3.0
123.11617	0.5
124.99982	1.7
129.06586	2.0
129.10201	3.0
131.11664	0.5
136.07578	4.3
136.79297	0.4
141.10298	0.5
156.97485	2.1
157.09698	0.7
168.18854	0.5
169.09802	0.5
169.13387	0.5
174.98450	3.3
176.99202	6.6
183.14949	1.0
184.07251	4.7
195.00323	2.6
198.98560	2.0
203.05235	4.2
206.44211	0.5
212.10106	0.5
213.00056	3.1
216.99577	1.1
218.92896	0.5
236.94055	4.8
239.11487	0.5
239.23595	0.7
240.99477	0.7
254.95099	16.3
259.95462	0.4
265.00797	8.4
283.01843	19.3
292.96677	10.5
301.01678	6.5
310.97885	2.2
313.27310	26.8
314.27759	1.9
315.98041	0.5
319.02963	0.5
348.99350	1.9
357.05042	1.1
362.96841	0.7
415.22110	17.0
415.27310	0.8
433.23120	5.6
443.41400	0.6
459.60132	0.5
531.19678	0.8
577.27441	1.7
595.28418	100.0
596.28601	4.9
657.22491	3.7
675.23425	2.7
807.44092	11.2
808.43616	0.8
969.49048	0.7
1166.28162	0.5
1182.80884	0.5
1200.98132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03340	0.3
81.06973	1.5
83.04911	0.1
83.08541	0.3
84.04437	0.3
84.08076	0.5
85.02824	1.5
86.09631	0.3
87.05531	0.1
91.05390	1.0
93.06973	1.6
95.01260	1.7
95.04890	0.3
95.08533	3.3
96.08875	0.1
97.02823	100.0
97.10101	0.3
98.03146	1.3
98.03692	0.1
99.00740	0.2
103.03909	0.1
105.06980	1.6
107.08535	2.7
109.02839	0.8
109.06436	0.2
109.10110	2.2
110.07118	0.6
111.04368	0.1
111.08011	0.5
112.08711	0.0
113.02320	0.3
115.03887	1.3
117.06963	0.3
119.08541	2.1
120.08022	0.4
121.10104	2.0
123.08002	0.1
123.11646	0.9
125.09565	0.1
127.03864	0.4
128.06114	0.1
129.06976	0.1
129.10207	0.4
131.03410	0.1
131.08543	0.9
133.04939	0.2
133.10092	1.9
134.10399	0.1
135.11658	1.6
136.07579	0.1
137.09651	0.1
139.03882	19.4
139.11157	0.3
140.04184	0.1
141.01810	3.7
141.02914	0.1
142.07809	0.1
143.08554	0.3
144.09328	0.1
145.10104	1.5
147.11674	1.5
147.12773	0.1
149.09618	0.1
149.13219	1.4
151.11197	0.2
151.14752	0.1
156.09314	0.1
157.04935	7.6
157.10045	0.7
158.05263	0.1
158.10844	0.1
159.02884	0.3
159.11662	1.7
161.13225	1.5
163.03871	0.1
163.11124	0.1
163.14755	0.4
165.12674	0.1
169.04927	0.1
169.09898	0.2
171.11633	0.4
173.13196	1.1
175.14780	1.0
177.12741	0.1
177.16342	0.8
183.11572	0.1
185.13168	0.5
186.13892	0.1
187.14803	0.6
189.16347	1.0
191.14182	0.2
191.17929	0.4
193.04843	0.1
193.15869	0.1
195.17419	0.1
197.13187	0.3
199.05980	7.7
199.14742	0.6
200.06314	0.2
201.16374	1.3
203.17917	1.1
205.15919	0.4
207.17422	0.2
209.13412	0.1
211.14708	0.1
213.16345	0.4
215.17894	0.7
217.06985	0.1
217.15886	0.1
217.19458	0.3
219.17366	0.5
221.19006	0.1
225.16339	0.1
227.18034	0.4
229.19516	0.1
231.17410	0.1
233.18910	0.2
241.19423	0.2
243.17383	0.1
243.20992	0.1
245.18967	0.4
253.19543	0.1
255.20947	0.3
257.19052	0.1
259.08081	4.4
259.20428	0.1
260.08505	0.1
263.19940	0.2
267.20953	0.1
269.22638	0.1
273.22061	0.1
282.34021	0.1
285.22150	0.1
313.25317	0.1
325.25275	0.1
339.26785	0.1
381.31528	0.3
399.32520	0.1
403.33438	0.4
409.34470	0.1
411.35953	0.1
421.34540	2.5
422.34848	0.2
439.35614	3.0
440.36035	0.2
457.36655	1.9
458.37067	0.1
553.38824	0.1
579.36755	0.3
597.38068	0.4
615.38806	0.4
987.26154	0.1
1059.94873	0.1
1116.19702	0.1
1184.54993	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.065
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
51.53900	1.1
55.05438	1.7
56.95240	1.1
69.03359	1.3
72.08071	30.2
80.33412	1.1
87.04402	4.5
91.05415	20.1
117.05798	1.5
118.06496	100.0
118.08595	3.0
119.06831	1.7
136.50244	1.2
137.43658	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0861
Annotation	4-Methylaminobutyrate
Peak:m/z	Relative Intensity
55.05451	18.0
56.04966	0.9
56.96500	0.4
57.05742	0.6
58.06532	4.6
59.07311	6.8
62.88503	0.3
63.85221	0.3
69.03345	13.9
71.04915	2.1
72.08068	100.0
73.08405	0.6
82.06507	4.1
83.04889	0.5
84.53424	0.4
87.04389	66.3
88.04755	0.4
92.81693	0.3
97.71096	0.4
100.02432	1.0
100.07546	25.3
101.05968	2.3
118.03442	1.6
118.08599	44.8
119.62930	0.4
122.63284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1183.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04444	1.0
84.08075	4.8
85.10166	0.5
86.09640	4.3
88.03923	0.6
91.05459	0.5
94.91234	0.5
95.08578	0.7
96.04324	0.4
97.16188	0.4
98.98437	0.6
109.02869	2.0
109.10115	1.1
110.07120	1.0
113.41060	0.5
120.08109	3.1
129.10222	2.7
136.07614	0.8
136.93181	2.7
137.07886	0.5
149.85487	0.4
154.94156	13.3
154.95345	0.7
170.78841	0.5
172.95204	79.4
177.00734	0.5
183.11377	0.6
184.07368	2.5
190.96255	77.6
192.95641	0.6
195.96786	3.8
196.95055	0.5
198.96832	0.6
208.97392	2.2
210.96791	8.4
213.97922	2.9
214.96342	2.1
228.97820	24.5
234.90901	3.2
237.02808	0.9
246.98866	14.2
251.99532	0.6
252.91837	24.3
255.03929	2.2
256.97433	0.7
270.00394	0.6
270.92865	24.5
280.97452	1.1
290.93378	8.1
293.94632	0.6
298.98416	5.1
308.87811	5.4
308.94424	56.4
313.27274	6.3
316.99387	15.3
326.88803	1.9
326.95529	6.4
331.21704	2.8
331.96106	2.0
335.00421	5.6
346.96179	3.2
364.97021	13.2
373.02316	0.7
378.95248	3.6
378.99820	0.5
382.98071	0.7
387.98785	0.6
388.84384	1.0
391.02985	1.0
393.17236	2.5
396.96170	3.5
411.18124	0.6
431.18616	4.2
434.97559	4.5
440.19052	0.7
449.19672	15.7
449.25537	0.6
450.20511	0.7
452.98926	2.6
460.01443	0.5
467.20673	5.0
468.21371	0.6
490.22656	0.9
522.99377	1.0
528.32532	0.5
529.16272	12.6
585.19397	6.2
611.25391	15.7
612.26361	0.7
627.30121	1.1
673.20508	27.8
674.20807	2.2
691.07745	0.6
691.21039	1.1
761.46564	0.8
823.41876	100.0
824.42090	9.5
985.46954	2.4
1003.49097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1186.606
Annotation	Unknow
Peak:m/z	Relative Intensity
83.08546	16.5
84.04420	13.3
85.10100	12.8
86.09614	5.2
90.05463	14.1
91.05412	19.8
93.06952	11.3
95.04884	5.2
95.08524	31.7
97.06459	5.3
97.10099	4.0
98.98377	11.8
104.01634	4.4
105.06961	5.1
107.04897	12.6
107.08524	4.3
109.02834	3.0
109.10107	27.9
116.01620	13.3
117.06971	2.9
119.08516	11.0
121.10119	3.3
123.08026	4.1
123.11636	3.2
129.06813	2.4
130.04962	4.6
131.08527	8.7
141.06540	2.4
141.83423	2.1
142.03214	4.1
145.10022	3.0
149.09656	4.7
151.11154	3.4
158.02695	35.9
159.07617	5.3
163.11134	2.6
165.12743	3.0
171.87590	2.1
173.11681	3.1
175.05296	4.5
176.03734	14.1
177.12697	4.6
184.07297	11.7
193.06371	49.4
193.12119	3.6
215.04849	3.3
233.05771	9.9
275.19998	13.3
293.20822	4.8
313.27396	30.3
322.10611	68.7
331.22546	3.4
467.30905	2.9
467.37198	67.0
468.37399	2.4
505.38760	56.2
561.58844	2.7
587.46606	100.0
588.46698	4.9
605.47388	10.7
657.07599	2.8
847.48694	10.1
926.56573	2.8
1021.52283	3.1
1034.22363	2.9
1186.58118	4.7
1211.96655	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99810	0.7
59.99863	0.6
64.33057	0.5
70.39340	0.4
78.00898	0.5
80.71120	0.5
87.53391	0.7
92.63464	0.7
96.53905	0.6
100.02415	1.2
101.00817	10.5
101.02493	6.7
102.02182	2.3
118.03467	3.5
119.01874	100.0
119.03560	9.9
120.01949	2.8
120.03251	0.7
121.06614	0.6
137.02931	83.4
138.03062	2.9
139.03189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0851
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
56.04963	1.2
70.86218	1.2
73.08390	2.7
74.05996	2.8
79.05361	4.3
91.05411	46.3
103.05396	5.0
104.06171	7.6
114.02026	1.3
116.89087	1.2
117.06956	8.6
119.08533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1191.5788
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01266	0.4
83.04899	1.1
83.08540	1.2
84.04432	0.3
84.08075	1.1
85.02829	23.3
86.09619	1.4
87.04399	0.2
87.84715	0.2
91.03876	4.1
91.05408	3.1
93.06978	6.9
95.01258	9.1
95.04908	1.4
95.08537	14.4
95.09155	0.6
96.08884	0.3
97.02825	33.5
97.06443	0.3
97.10089	0.5
99.00790	0.8
99.04386	6.5
101.02321	1.0
103.03876	1.6
105.06981	7.8
107.08545	9.7
109.02834	100.0
109.10113	9.6
109.10871	0.3
110.03176	1.2
110.07110	1.0
111.04395	0.5
111.08046	2.5
113.02327	1.4
115.03890	2.1
117.06966	1.1
119.04904	0.3
119.08538	8.8
120.08874	0.3
121.06461	0.4
121.10098	8.2
123.04350	0.5
123.07998	0.3
123.11649	2.9
125.09576	0.5
127.03881	40.1
128.04218	0.6
129.06952	1.0
129.10190	0.5
131.03383	0.6
131.08543	3.1
133.10100	8.9
135.11661	6.8
136.08746	0.3
137.09573	0.4
137.13231	0.9
139.03893	4.7
139.11183	1.1
141.01810	19.3
142.07782	0.4
143.03406	0.5
143.08537	1.5
144.09218	0.3
145.04944	4.6
145.10101	7.1
147.11676	6.7
147.12784	0.4
149.05997	0.3
149.09677	0.3
149.13257	6.0
151.03900	0.3
151.11159	1.1
155.08440	0.5
157.04990	0.3
157.10068	2.1
159.02849	2.7
159.11679	7.7
161.13229	5.9
163.03906	0.2
163.05980	3.3
163.11183	0.5
163.14783	2.9
165.12726	0.5
169.04929	13.4
169.10078	0.4
171.11609	2.1
173.13231	4.1
174.13719	0.3
175.14787	4.3
177.03964	0.4
177.05374	0.3
177.12637	0.3
177.16370	3.2
183.11618	0.5
185.13190	2.3
187.05986	17.5
187.14766	3.6
189.12755	0.3
189.16341	3.9
191.17967	1.5
193.15836	0.4
195.17435	0.5
197.13246	0.5
199.14787	2.1
201.16353	6.1
202.16666	0.4
203.17940	4.3
205.05037	0.3
205.06992	0.8
205.15880	1.3
207.17455	1.9
211.14812	0.9
213.16367	1.7
215.14481	0.3
215.17915	3.0
217.07103	0.5
217.15913	1.1
217.19519	1.3
219.17403	2.7
223.06006	1.4
225.16431	0.9
227.18004	1.9
229.07048	2.8
229.15932	0.3
229.19556	1.3
231.17461	1.0
233.18970	1.2
239.17940	0.5
241.07013	1.8
241.19490	0.6
243.21063	0.3
245.18922	2.0
247.08113	8.1
247.10590	0.4
255.21098	1.7
257.19025	0.3
257.22427	0.3
263.20038	1.3
267.21045	0.5
269.22653	0.5
273.22205	0.4
283.08130	1.0
285.22150	0.4
299.23425	0.4
301.09219	0.4
303.23230	0.3
313.25247	0.5
327.26907	0.3
331.26236	0.9
345.28195	0.3
361.11380	1.4
379.12186	0.3
381.31406	1.7
399.32507	0.5
403.33279	1.8
409.34695	1.1
411.36450	0.5
421.34586	13.6
422.34943	0.6
423.36243	1.3
427.35913	0.3
437.34378	0.3
439.35663	18.8
440.36282	0.9
457.36694	16.1
458.37057	0.8
465.34778	0.3
500.81195	0.3
517.36420	0.4
526.53339	0.3
535.37488	0.4
579.37048	0.5
597.37628	2.5
615.38843	3.4
633.39893	0.4
685.42694	0.5
703.43823	0.3
777.43292	0.8
799.45953	0.4
813.45166	0.3
817.47095	0.6
1066.36975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1191.5785
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01266	0.7
83.04918	0.5
83.08500	0.5
84.04462	0.6
84.08067	1.8
85.02835	22.9
86.09640	4.0
87.00764	2.1
91.03901	2.5
91.05412	3.4
92.63648	0.5
93.06978	3.8
94.33923	0.4
95.01275	5.5
95.04922	0.9
95.08533	8.6
97.02226	0.8
97.02834	14.3
97.99295	0.4
99.03805	0.6
99.04401	9.4
101.02316	0.7
103.03880	8.9
105.01829	1.0
105.06992	4.1
107.08549	5.9
109.02840	30.6
109.10123	5.7
110.07117	1.8
111.04418	0.5
111.08038	1.9
113.02348	0.5
115.03867	0.8
115.44514	0.5
117.06985	0.4
119.08548	5.2
121.10096	4.8
123.11678	0.7
127.03886	100.0
128.04163	0.6
129.05429	0.4
129.10220	0.9
131.08528	2.0
133.10138	4.5
135.11627	4.2
136.07532	0.5
139.03847	0.6
141.01814	12.6
143.08490	0.6
145.04964	6.0
145.10132	4.1
147.11703	4.0
149.13255	3.8
150.63216	0.4
151.11177	0.7
157.10042	0.7
159.02859	1.7
159.11688	3.8
161.13210	3.5
163.06018	2.3
163.14832	1.0
169.04932	12.0
171.11661	1.7
173.13252	2.3
175.14764	1.1
177.03947	0.8
177.16371	1.7
185.09102	0.5
187.05995	15.2
187.14749	1.6
189.16371	1.8
191.17987	0.5
199.14799	0.7
201.16327	3.5
203.17996	2.7
205.15874	0.8
206.12494	0.5
213.16357	0.5
215.18018	1.8
217.19604	0.5
219.17528	0.9
227.17899	0.8
229.07059	6.5
237.02872	0.5
245.19109	0.6
247.08089	33.8
311.27292	0.5
381.31467	0.7
403.33347	0.6
409.34393	0.8
421.34619	5.7
423.36066	2.3
439.35593	9.5
441.37137	0.6
446.44760	0.5
457.36627	8.4
458.36618	0.7
579.36029	0.5
597.37695	1.1
615.38544	2.5
650.91510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1191.5788
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01284	0.7
83.04888	2.4
83.08546	1.2
84.04431	0.9
84.08054	1.1
85.02831	30.8
86.09626	2.9
87.00748	0.6
87.04379	0.6
89.03426	0.5
91.03888	7.5
91.05408	5.2
93.06975	9.5
95.01264	11.9
95.04891	3.0
95.08536	22.4
97.02824	50.7
97.10084	0.7
99.00739	0.7
99.04388	13.5
101.02303	0.6
103.03871	5.4
105.01830	0.6
105.06970	12.6
107.08533	17.2
107.09209	0.9
108.08848	0.7
109.02833	100.0
109.10104	14.8
110.03149	0.8
110.07114	2.1
111.04396	2.9
111.08018	4.7
111.11662	0.6
113.02336	2.3
115.03877	4.5
116.98599	0.5
117.06936	0.9
119.08537	14.8
121.06419	0.5
121.10105	12.7
123.04383	1.1
123.08013	0.7
123.11636	4.7
127.03880	82.9
129.06987	0.8
129.10202	0.7
131.03380	1.0
131.08553	4.2
133.04904	0.7
133.10100	13.1
135.11655	11.9
136.07495	0.6
137.13226	2.1
137.45868	0.5
139.03896	1.0
139.11174	1.0
141.01805	28.4
143.08536	2.1
145.04927	6.9
145.10083	9.2
147.11681	10.1
149.09601	0.6
149.13237	9.9
151.03865	2.2
151.14888	0.5
155.08423	0.6
157.10117	3.1
159.02914	4.4
159.11656	11.5
161.13243	7.7
163.05954	5.1
163.11143	0.7
163.14769	4.1
165.05453	0.5
165.12720	0.8
166.34451	0.5
169.04933	12.4
169.10039	0.7
171.11696	3.1
173.13243	6.1
175.14760	7.6
177.03957	0.9
177.16312	5.6
181.04878	0.6
183.11703	0.8
185.13210	0.9
187.05978	37.2
187.14784	4.7
189.16359	7.2
191.14331	0.9
191.17928	2.5
193.04903	0.7
193.15904	0.9
195.17470	0.7
197.13254	1.2
199.14822	2.5
201.16345	8.5
203.17958	6.0
205.15874	2.1
207.17371	0.7
211.14723	0.9
213.16298	2.1
215.17963	5.3
217.07079	0.9
217.15948	0.6
217.19562	2.1
219.17461	4.7
223.05994	2.5
225.16402	0.7
227.17979	2.2
229.07031	8.0
229.19493	2.0
231.17496	1.1
233.19040	2.2
239.17888	0.9
241.07054	2.8
241.19514	1.1
243.17448	0.6
243.21071	1.1
245.18967	2.4
247.08070	29.1
253.19466	1.0
255.20940	0.9
259.20590	0.6
263.20163	2.2
267.21075	1.2
271.20602	0.6
283.08157	0.9
289.09204	0.9
313.25284	0.9
331.26190	0.8
343.10223	0.8
361.11133	2.5
379.12271	4.0
381.31473	2.5
399.32529	0.9
403.33447	2.0
405.34903	2.0
409.34482	0.9
419.32690	0.7
421.34540	17.1
423.36057	5.5
437.34048	1.0
439.35620	32.9
441.36884	1.1
457.36639	25.8
458.37085	0.9
579.36768	0.7
597.38031	4.5
599.39105	0.7
615.38818	4.5
701.51654	0.6
1232.24670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1193.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04914	1.3
83.06073	1.1
83.08524	1.0
84.04430	8.5
84.08078	4.5
85.02831	14.8
85.03956	5.1
86.09624	41.5
87.00779	0.9
87.05547	0.9
87.09964	1.2
89.07094	8.0
91.05404	15.6
91.97163	1.0
93.06966	5.7
95.01251	2.0
95.04899	1.6
95.08535	8.3
96.04390	1.1
97.02818	8.5
98.05977	1.0
99.04445	1.5
99.05508	20.2
99.09164	1.2
100.07545	1.2
101.02324	1.6
101.07059	4.1
103.05400	1.7
105.01829	1.3
105.06996	4.2
107.04906	5.5
107.08543	6.1
108.04425	1.7
108.08074	1.4
109.02825	8.6
109.10120	4.6
110.05984	1.2
110.07109	2.3
111.05558	1.5
111.08046	1.4
111.09145	1.7
112.08643	1.8
113.07080	2.0
115.03940	1.4
115.05389	5.6
115.08633	1.7
117.05710	4.2
117.06941	1.2
118.06513	1.7
119.04868	8.8
119.08537	6.5
120.08063	1.0
121.06476	1.5
121.10098	4.9
123.07918	1.2
123.11701	2.0
125.07064	6.3
125.10733	1.2
127.03865	15.6
127.04844	1.5
127.08634	5.4
129.05676	1.0
129.06519	8.3
129.10225	1.5
130.04977	1.4
130.06499	24.0
131.08524	1.7
132.08060	33.8
133.08388	1.0
133.10057	6.5
134.05995	3.6
135.06775	4.3
135.11685	1.6
136.03984	1.3
136.07558	100.0
137.07062	3.7
141.01781	5.0
142.06523	1.9
143.07237	1.7
143.11790	1.3
144.05716	1.8
144.08060	22.0
145.04903	1.4
145.06464	4.6
145.10107	4.2
146.05986	34.9
147.04533	1.3
147.06372	1.2
147.11676	3.8
149.13239	2.0
152.08157	1.5
153.06573	2.3
153.10191	26.8
154.06371	1.3
155.08177	1.5
155.11790	4.5
156.07933	1.4
157.06400	1.3
157.09953	1.0
157.13354	1.7
158.08363	1.5
159.02805	1.0
159.09151	76.3
159.11676	4.3
160.07529	9.4
160.09514	1.6
161.13191	4.1
162.05504	1.0
162.09113	4.3
163.06044	1.2
163.08701	2.0
163.14764	1.1
165.06590	4.3
168.08026	1.7
169.07526	20.2
170.05989	19.2
170.09259	2.1
171.04390	1.3
171.09137	3.9
171.11414	1.1
172.07532	48.9
172.10733	1.7
173.13167	2.0
174.05531	5.1
174.09061	2.0
175.14783	1.7
180.07823	2.1
180.11325	1.4
181.07715	1.2
181.07996	1.5
181.09692	23.8
182.05923	1.3
183.09213	1.2
183.11328	1.8
184.07460	3.9
185.07057	3.8
185.10713	2.1
185.12987	1.7
187.06076	1.3
187.08603	7.2
187.14740	2.2
188.07095	6.5
189.06418	1.5
189.10204	3.6
189.16341	3.9
191.08124	1.2
191.17842	1.0
197.07043	4.3
197.10744	4.5
198.05489	1.6
198.12328	13.7
199.08627	5.1
200.07091	7.4
201.16379	1.3
202.08641	6.5
203.17944	3.7
208.10825	1.3
209.10837	1.5
210.05318	2.9
215.08112	1.3
215.17924	1.8
217.07594	2.3
217.09695	68.1
217.12982	1.8
217.19482	1.2
223.08748	3.0
224.11824	1.8
225.10262	6.5
226.11841	1.5
227.08115	25.0
229.09731	1.7
230.08192	1.9
233.12819	43.8
234.12912	1.5
236.10229	3.6
238.11914	1.0
240.11229	1.6
243.11272	1.9
245.12817	17.9
247.08131	2.0
247.10786	3.8
255.07487	1.5
255.11333	1.4
257.09164	1.8
260.11209	1.0
260.13867	5.0
261.12289	7.7
262.11874	7.4
263.10321	1.1
265.11862	2.2
268.14371	4.2
269.12796	2.2
270.12360	6.0
271.10696	1.6
272.10468	1.7
273.12286	33.2
273.15631	1.2
274.12311	1.0
275.10266	1.1
278.14951	31.6
279.14554	4.8
281.12863	1.3
283.10687	1.3
288.13425	8.7
290.11093	1.2
296.13968	1.6
298.11914	2.1
300.13519	1.3
301.11862	5.6
301.15463	16.9
307.13922	3.6
309.08615	1.1
309.12167	4.5
312.13370	1.3
315.14520	2.3
316.12805	5.4
316.16486	7.9
318.14459	2.9
318.18115	5.6
326.15002	5.3
328.12903	1.6
328.16501	3.5
337.11865	1.1
342.14590	1.5
343.13913	11.2
344.15955	10.3
348.14890	1.1
354.14313	22.8
356.15979	5.4
361.18533	2.2
372.15497	2.3
374.16785	1.4
382.13861	5.8
383.17010	3.4
384.15356	6.3
389.18024	2.2
397.18597	4.4
399.16351	5.2
401.18112	3.9
402.16330	1.9
407.17599	1.0
410.17041	4.1
419.32907	1.3
420.15521	2.2
421.34671	2.2
423.36258	5.3
424.36414	3.4
425.17972	9.8
427.19580	1.7
437.17926	4.7
437.33987	1.6
439.35559	1.7
440.35287	1.3
442.20892	13.9
453.17676	4.7
454.20618	1.4
455.19287	8.8
457.36588	1.3
465.17657	4.2
470.20212	19.2
471.20630	1.6
472.21756	4.0
473.20062	2.1
482.19922	4.4
483.18716	1.3
490.23010	1.6
498.19662	5.7
508.21735	1.6
543.25739	1.9
553.23999	12.8
567.25067	1.5
571.25067	10.2
578.23041	1.4
581.23566	9.5
595.24829	5.8
599.24475	18.0
600.24805	1.5
605.25818	1.0
668.29382	1.8
678.28479	6.9
696.29626	14.1
713.29602	1.9
730.31952	10.4
733.18341	1.0
739.32129	8.2
741.29340	1.7
757.32758	9.3
758.31384	13.9
767.31281	13.6
768.31195	1.6
775.33759	10.9
785.32538	11.2
802.33820	2.0
813.35596	12.0
814.34589	1.9
831.36505	18.1
832.35748	1.9
841.35120	22.1
842.33508	2.2
848.39301	1.6
858.37714	17.0
859.21375	1.4
859.36102	29.9
860.35925	1.5
870.40240	1.7
876.38971	11.2
882.36884	5.6
898.40021	3.9
899.39099	3.5
916.39941	4.4
973.41107	1.3
989.42230	1.7
996.46729	1.4
999.43311	14.1
1000.43060	1.6
1016.44720	1.4
1017.45471	7.5
1018.42981	2.2
1027.42871	23.0
1028.40894	4.1
1034.45532	5.0
1044.45337	20.9
1045.44934	11.7
1046.43079	2.1
1062.47827	6.9
1063.44946	1.5
1089.46838	1.2
1148.52930	1.7
1158.50928	4.0
1175.55493	7.2
1176.51868	6.4
1193.56506	16.7
1194.56921	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	120.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71901	0.8
53.02354	0.6
53.53556	0.7
56.51899	0.7
59.95513	0.6
67.80202	0.7
74.09660	0.7
83.99677	0.8
91.05402	3.9
93.06982	9.3
93.24165	0.7
95.04924	1.1
103.04731	1.7
103.05408	47.4
120.08062	100.0
121.08399	1.9
128.71753	0.9
138.64101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96490	10.0
58.99792	3.1
79.01798	1.5
81.41847	1.2
82.01363	12.5
87.01465	1.5
88.02306	7.4
92.99968	1.3
97.02817	1.4
100.02412	100.0
101.02462	1.5
118.03468	97.8
119.01863	8.2
119.03614	1.7
137.02940	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22183	1.5
55.05450	1.3
56.96504	13.6
58.99784	3.8
64.65575	1.6
72.08063	1.7
76.51524	2.0
77.00835	2.9
79.01772	8.1
80.04929	2.7
80.76624	1.6
82.01353	8.0
84.08077	2.6
88.02303	11.4
92.10965	1.9
99.21747	1.6
100.02418	100.0
118.03481	97.5
119.01858	3.3
119.03583	2.6
123.05502	9.6
124.03880	10.4
137.02927	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	123.0439
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.03880	0.4
55.01811	0.1
56.91782	0.1
56.96503	63.6
58.50450	1.8
58.96098	0.5
61.00735	0.2
61.54924	0.1
67.05423	0.6
67.50983	9.2
68.01144	0.2
70.01220	2.3
74.10786	0.1
74.97523	0.7
76.51501	15.8
77.01673	0.5
77.03851	0.2
77.51707	0.1
79.01769	36.2
79.05385	0.1
79.51553	0.2
79.51969	1.2
80.01575	0.2
80.01991	0.1
80.04927	2.2
81.06944	0.2
85.01788	0.1
85.52027	3.5
86.02581	0.2
88.02297	100.0
88.11076	0.1
88.52493	4.2
89.02051	0.8
89.02541	0.6
90.52552	2.0
91.02731	0.1
94.02317	0.4
95.03123	0.8
95.04897	27.1
96.04424	0.5
96.05223	0.4
97.02822	16.8
97.53001	0.6
99.53088	5.0
100.02405	0.9
100.03231	0.2
101.55714	0.1
105.04420	1.0
108.53638	0.5
118.03474	0.9
120.03144	0.1
121.51496	0.1
123.03475	0.2
123.04382	8.7
123.05499	10.1
123.09145	0.5
123.09966	0.5
124.03899	1.0
124.04697	0.1
133.63490	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	124.0757
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
53.03886	2.6
54.82097	0.4
55.05455	3.6
56.96491	2.0
57.80549	0.3
58.96091	1.4
60.95781	5.4
63.40901	0.3
65.03856	0.5
68.04941	2.1
69.06982	0.6
69.50619	0.4
77.51293	0.4
78.51136	1.3
79.05408	27.0
80.04931	6.3
80.05716	0.3
81.01425	0.8
81.05717	25.5
81.06972	17.5
82.06045	0.4
82.06487	3.9
87.51629	0.4
88.52496	0.4
89.02104	0.7
89.02617	0.4
89.52107	0.7
90.01951	7.1
94.06493	8.0
95.04898	1.6
96.04412	3.4
96.05250	0.4
96.08056	57.6
97.02753	0.3
97.08379	0.8
98.02615	0.3
99.02468	1.5
106.06505	9.3
107.04889	0.5
109.05219	0.8
114.37943	0.4
119.03543	0.3
124.03916	17.1
124.07551	100.0
125.07906	0.8
144.12820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57662	2.2
57.63442	2.2
81.86611	2.3
100.02436	5.2
101.08440	2.4
102.02225	9.8
103.00584	5.3
103.02492	4.5
118.03488	3.7
120.03233	5.6
120.54382	2.3
121.01637	100.0
121.02453	4.7
127.03870	10.5
133.83192	2.6
139.02661	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	1.8
55.01825	0.4
55.05194	0.8
55.05453	20.6
56.04980	2.5
56.96508	0.7
57.90479	0.3
58.23257	0.3
64.95465	0.7
66.98866	0.3
67.05421	0.5
69.03357	3.1
70.06510	3.6
71.04913	0.5
73.22705	0.3
77.10304	0.3
79.05403	4.4
80.04931	2.5
80.51004	0.3
81.03342	3.5
81.06508	0.7
81.06976	17.1
82.06490	0.7
83.04908	0.4
83.08532	6.5
84.04430	0.8
84.08070	1.3
91.05409	1.5
91.48100	0.4
91.52016	0.4
92.01764	1.3
93.05722	1.8
96.04420	1.5
97.02834	0.5
97.05204	10.8
98.05991	8.5
98.09633	6.4
99.04374	0.6
100.03557	0.4
100.48631	0.6
104.90746	0.8
108.04425	3.2
108.08059	10.7
109.02829	4.2
109.06468	19.7
111.06765	0.5
126.05505	5.3
126.09115	100.0
127.02948	0.6
127.03879	18.1
127.09464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0389
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03883	1.6
55.01803	0.4
56.65373	0.2
59.17188	0.2
64.95483	0.3
66.65209	0.2
69.03345	0.2
70.44553	0.2
72.45691	0.2
81.03343	1.8
92.01754	0.3
92.10965	0.6
93.80846	0.2
109.02832	4.0
113.04738	0.2
120.04777	0.2
127.03874	100.0
128.04201	1.6
142.00543	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	127.0389
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03893	1.7
55.01806	0.5
69.03342	0.4
71.01246	0.2
76.71104	0.2
76.80087	0.2
81.03332	1.5
92.10911	0.6
109.02840	3.4
120.28474	0.2
127.03880	100.0
128.04216	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0388
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
52.41861	0.2
53.03882	1.6
55.01799	0.8
69.03344	0.2
70.13930	0.2
81.03327	1.2
99.51279	0.2
109.02819	3.2
127.03875	100.0
128.04211	1.8
129.80026	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	127.0389
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03888	1.5
55.01807	0.8
64.51679	0.3
64.95448	0.2
71.04925	0.3
81.03336	0.9
82.01088	0.2
84.95475	0.2
91.41338	0.2
92.01794	0.2
93.02027	0.4
109.02836	3.2
119.40208	0.2
127.03882	100.0
128.03404	0.2
128.04231	1.8
149.32521	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	128.1068
Annotation	2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
54.03400	1.3
55.01811	60.6
55.05441	2.9
56.02135	0.5
56.96497	1.0
57.03357	0.7
57.07009	35.0
62.71364	0.6
67.04767	0.5
69.06969	0.9
70.06495	0.9
72.04428	100.0
72.07687	0.7
72.08060	3.5
74.09621	7.5
76.93456	0.6
82.06499	11.9
83.04881	0.9
83.05984	0.7
83.08516	0.7
84.01491	1.0
84.04458	0.6
86.05976	1.0
92.10275	1.8
93.02015	1.4
95.81345	0.5
99.91608	0.6
100.07548	2.6
105.50120	0.6
110.05994	5.0
128.03369	4.7
128.04230	7.4
128.06102	0.9
128.07031	14.6
128.10670	79.8
129.05403	0.8
129.10980	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.1069
Annotation	2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
53.00239	1.8
54.40639	0.7
55.05450	6.0
56.27786	0.7
56.95739	0.7
56.96499	1.9
57.03366	0.7
60.04169	1.5
60.04456	32.4
67.05415	3.1
69.03336	1.1
69.06988	100.0
70.06490	1.7
71.04915	1.0
72.04430	35.5
75.05806	0.8
79.03642	0.9
80.04913	0.9
82.03642	1.0
82.06501	21.6
83.04890	3.9
83.06017	3.4
84.01476	3.6
84.04424	1.8
86.06003	3.4
86.09627	91.4
93.02007	6.2
100.07538	8.8
104.52825	0.8
105.57694	0.7
110.03150	0.9
110.05990	8.8
111.28209	0.7
111.53382	0.8
128.03375	6.1
128.04216	3.6
128.06110	0.8
128.07040	22.9
128.10670	41.5
129.05453	2.7
129.06493	1.2
135.98016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52453	0.3
52.86475	0.4
55.05462	0.6
55.65752	0.3
56.04973	0.7
58.06533	15.8
67.05451	0.5
70.06503	2.9
72.08069	59.2
73.39717	0.4
84.04430	4.0
84.08066	52.0
85.08381	0.4
100.02425	0.4
100.06875	0.4
102.02147	0.4
112.11191	100.0
113.11520	1.7
114.61615	0.4
129.13838	37.3
130.14111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	0.8
56.04970	1.3
57.21890	0.5
58.06535	13.1
66.72640	0.5
69.03340	3.7
70.06140	1.2
70.06510	29.2
71.04894	0.7
72.08071	40.2
72.35215	0.6
74.02354	1.3
83.06026	1.4
84.04436	0.9
84.08069	100.0
112.07565	11.8
112.08672	3.8
112.11193	95.1
113.11549	1.1
114.83932	0.6
129.13841	37.6
130.08623	14.9
130.09639	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0862
Annotation	L-Pipecolate
Peak:m/z	Relative Intensity
53.95500	0.3
55.01807	0.3
56.04964	3.0
56.96492	2.1
57.03376	0.8
58.06530	0.7
59.07310	0.4
60.05577	6.1
61.02837	0.5
67.05444	1.0
69.03345	6.0
69.07006	0.7
70.06507	32.5
71.02907	0.4
71.04897	3.4
72.08068	18.3
73.14499	0.4
74.61819	0.3
82.06496	0.4
84.04427	9.2
84.06352	1.8
84.08064	100.0
85.08382	1.7
86.09585	0.4
88.02559	0.6
97.07575	0.6
100.02410	0.8
107.53163	0.5
112.07550	22.2
112.08377	0.7
112.08697	0.8
114.10237	3.3
118.01073	0.8
118.03483	1.6
119.01853	1.5
130.04967	0.6
130.08606	35.8
130.09621	1.9
131.01863	0.5
131.08946	0.6
131.11847	0.5
131.12868	0.8
133.03383	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0863
Annotation	L-Pipecolate
Peak:m/z	Relative Intensity
56.04977	0.8
56.96495	0.4
66.62933	0.3
67.05422	0.7
69.03352	29.6
69.06996	3.6
70.06505	2.7
71.04915	1.5
82.06503	1.5
82.83658	0.3
84.04421	8.1
84.08073	19.0
89.63263	0.3
94.06484	0.5
97.22333	0.3
112.07558	100.0
113.07905	1.7
130.04997	0.6
130.08612	42.3
131.08922	0.5
144.75211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0862
Annotation	L-Pipecolate
Peak:m/z	Relative Intensity
56.04976	0.6
57.07017	0.4
61.96675	0.3
67.05424	0.5
67.43887	0.3
69.03352	29.1
69.06989	4.1
70.03663	0.5
70.06522	0.5
71.04892	0.5
72.97921	0.3
82.06478	0.5
84.04436	0.7
84.08069	15.7
90.35221	0.4
90.38122	0.3
94.06483	0.6
112.07555	100.0
113.07899	1.5
123.26382	0.3
130.08606	39.7
134.80241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61117	0.5
53.00230	0.6
53.62655	0.5
56.04971	6.7
56.17304	0.6
56.96489	1.3
57.03373	18.4
57.07010	20.0
60.05566	0.5
61.85225	0.5
63.20985	0.5
67.05428	0.7
69.03347	5.4
69.06968	0.6
70.06507	5.9
71.04903	3.0
72.08089	0.7
74.05989	79.8
74.09626	7.5
84.04427	100.0
84.08068	21.8
85.04755	2.4
86.50553	0.8
87.00394	7.2
94.06512	0.5
95.04874	1.0
96.00901	1.0
97.22971	0.6
97.95787	0.5
101.44043	0.5
102.83334	0.5
103.05400	3.5
110.28341	0.6
112.07552	23.4
113.96368	1.3
120.11047	0.7
130.04979	14.7
130.06488	28.0
130.07582	1.0
130.08595	14.6
130.12245	85.8
130.15886	11.3
131.06813	0.8
131.08638	0.6
131.12604	1.4
131.97423	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	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66901	0.3
53.03883	1.9
53.53774	0.3
54.72575	0.3
55.03276	0.3
56.96502	1.8
57.03370	0.5
57.07005	0.3
61.23312	0.3
69.03331	0.7
69.07002	0.4
70.03670	0.5
70.06517	0.5
71.04903	1.5
72.08064	2.1
72.93732	0.3
84.08050	0.4
85.04735	0.9
85.06460	2.0
85.08407	0.4
86.09632	6.3
95.04886	5.1
97.00931	0.6
102.04629	0.5
103.05403	100.0
104.05727	1.4
105.04475	0.5
111.34628	0.3
112.07560	0.4
113.05915	0.3
113.07880	4.0
131.04910	1.9
131.08955	0.8
148.46263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	0.7
56.96505	5.5
60.04454	1.0
67.50986	0.7
69.07004	1.1
70.06524	0.8
76.51491	3.3
77.92836	0.6
84.04433	0.7
85.04769	3.4
85.52052	6.2
86.09625	22.0
87.00380	0.8
88.00423	0.9
88.02283	6.3
91.05410	39.6
95.04882	0.8
97.00924	4.0
97.02814	4.3
103.05417	10.6
104.04948	1.3
112.53873	0.7
113.07864	1.2
113.96359	0.9
115.05404	2.6
116.06188	14.4
129.06970	8.5
131.04892	1.4
131.08537	100.0
132.04433	9.0
132.08859	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56826	0.3
53.03870	0.4
56.96252	0.5
56.96507	12.0
57.03361	0.9
57.06996	2.5
58.02901	0.3
58.07335	0.5
60.04454	3.6
65.03860	0.4
67.05415	0.4
67.11118	0.4
68.95205	1.8
69.03339	0.5
69.06990	3.4
71.04898	0.7
72.93688	0.9
74.09621	2.0
76.51498	7.1
77.47697	0.4
79.01765	1.7
84.04440	1.5
85.02796	0.6
85.04760	4.7
85.08393	0.9
85.52026	11.6
86.02236	0.4
86.05992	1.8
86.09630	31.2
87.00382	2.6
87.04414	0.5
88.00400	3.2
88.01802	0.6
88.02295	10.5
90.05498	0.6
91.05408	44.8
95.04884	0.8
95.12456	0.4
96.00951	0.5
97.00928	10.5
97.02827	7.9
98.97508	0.8
103.05402	8.6
106.01465	2.0
108.04845	0.4
108.51716	0.5
112.74168	0.4
113.07870	1.9
113.96349	1.9
115.05426	3.3
115.96401	2.0
116.06188	14.4
116.97182	0.6
116.98582	1.0
118.91349	0.4
129.06973	8.5
130.15880	2.3
131.04889	1.8
131.08534	100.0
131.11734	1.7
131.16238	6.3
131.97372	1.6
132.04428	0.5
132.06477	1.0
132.08899	2.9
132.10071	0.7
132.37930	0.4
133.97443	2.6
134.99593	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.1291
Annotation	Agmatine
Peak:m/z	Relative Intensity
50.00584	0.2
56.96503	0.5
57.03370	0.5
59.07321	0.4
60.05579	29.7
68.04944	0.3
69.03355	0.4
69.06999	0.7
70.06503	0.5
72.08072	100.0
73.08398	0.8
84.08085	0.6
85.02824	0.4
85.08411	3.0
86.09624	8.8
92.10822	0.4
97.07591	5.5
100.02428	5.5
102.12795	0.3
107.53188	0.3
111.02892	0.4
114.10242	20.8
115.10589	0.6
116.98613	0.5
118.03471	4.9
119.01855	0.4
130.74942	0.3
131.01845	0.7
131.08998	0.4
131.12891	11.3
131.13814	0.4
132.10165	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	Isoleucine
Peak:m/z	Relative Intensity
55.71409	0.2
57.05739	0.3
58.06522	0.5
69.06989	17.6
73.08376	0.2
86.09629	100.0
87.09963	2.5
92.10258	0.2
117.86312	0.2
132.10179	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
52.78263	0.5
54.81577	0.7
55.05446	1.0
56.96491	4.2
61.68172	0.7
72.08066	6.5
74.02360	7.7
79.05402	3.4
86.09618	1.6
87.09954	9.9
88.02147	1.8
88.03889	1.8
91.05406	9.3
93.06967	3.0
98.00691	4.0
103.05399	1.0
105.06977	32.6
106.06507	3.9
107.01189	1.1
115.05381	1.8
116.03444	0.9
117.06915	1.8
118.07757	6.6
130.57751	0.8
131.08528	4.5
133.05228	4.1
133.06511	1.1
133.10097	100.0
133.42644	0.9
134.05991	11.2
148.85455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03890	0.8
55.05440	3.4
55.96599	0.6
56.96501	8.7
57.03362	1.0
62.11512	0.7
67.05416	7.1
67.51177	0.6
69.03335	1.9
70.06466	0.7
70.57332	1.0
72.08062	12.3
74.02350	14.5
79.05401	10.7
86.09620	3.2
87.05493	1.6
87.09943	14.1
88.02129	3.8
88.03915	4.6
91.05403	100.0
92.05698	1.3
93.06982	1.1
95.04886	1.5
97.02798	3.3
98.00669	3.7
103.05385	1.4
104.04931	8.0
105.03315	5.5
105.05809	2.4
105.06971	58.9
106.06496	25.7
106.07230	1.4
112.27947	0.8
119.48780	0.8
131.08493	3.3
133.05183	33.4
133.06441	17.8
133.07448	1.8
133.10085	45.0
134.05981	56.7
134.99635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	2.2
54.60784	0.7
55.01803	6.6
56.96504	14.7
57.03376	76.4
57.07017	0.9
58.03705	1.8
58.99793	7.5
61.02838	2.0
66.76302	0.8
68.02560	6.0
68.52632	1.4
69.03344	16.5
71.04872	1.6
72.52905	8.9
73.02829	7.7
73.36021	0.9
74.02333	0.9
74.52608	1.5
75.01816	2.3
77.00819	8.4
77.52066	1.6
78.52879	10.7
79.02927	1.5
80.52617	4.6
81.03331	13.2
81.53399	11.2
82.01365	6.0
85.02808	2.5
85.51844	1.8
85.53669	4.1
86.52628	63.4
87.02716	7.8
87.53408	11.7
88.02604	12.5
88.03444	1.3
89.00810	1.0
89.53134	1.3
93.53370	2.5
94.54182	6.0
95.01856	4.6
95.02402	1.3
95.53149	67.6
96.03233	11.6
97.03140	5.3
98.03413	1.6
98.52632	1.4
98.97518	18.2
99.04408	7.5
99.53413	10.1
100.02420	52.0
100.54230	1.0
101.00813	18.5
101.02488	4.9
101.53135	2.2
102.00911	2.3
102.02289	9.0
102.52386	1.5
102.53918	1.3
103.02368	4.0
103.52910	1.0
104.02443	1.1
104.53665	4.8
105.00310	2.5
107.03902	1.5
108.53927	5.7
109.02786	2.0
109.13712	1.0
109.52879	1.2
111.02882	12.2
111.04189	6.1
111.52962	1.4
113.00785	2.2
113.53112	4.1
115.02371	6.5
116.98586	19.7
118.01073	2.1
118.02615	1.5
118.03468	45.9
119.01882	100.0
119.03580	5.1
120.01965	13.8
120.03224	1.5
120.04755	1.2
121.01610	2.3
121.03417	4.1
121.05128	1.1
121.16898	0.9
122.53658	5.2
124.02425	9.8
125.02457	1.1
127.03903	2.1
131.01875	42.7
132.01999	5.4
133.03436	11.4
134.03476	1.1
134.08078	1.2
134.99631	18.9
137.02943	24.9
138.03029	5.1
139.02641	0.9
142.03485	85.5
143.01891	9.0
143.03598	13.2
144.03200	3.7
144.05011	1.5
145.03453	6.2
147.01335	6.2
147.04988	5.8
149.02948	10.8
153.00697	2.4
154.03497	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	134.0599
Annotation	Oxindole
Peak:m/z	Relative Intensity
56.96504	0.9
63.15316	0.4
71.04916	0.5
74.02348	4.6
79.05409	10.3
80.03432	0.4
88.03912	3.6
92.10187	0.4
95.04894	1.0
97.53626	0.4
105.03339	11.2
106.06503	46.9
107.04912	0.8
107.06829	0.7
127.20955	0.5
134.05986	100.0
135.06294	2.1
135.07974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52123	2.0
62.02364	4.0
65.03864	1.8
66.57932	1.7
67.67899	1.6
71.02512	2.7
71.02901	80.0
71.04913	22.9
71.52945	13.9
79.05396	3.9
80.03423	68.1
80.53471	15.4
81.03303	2.5
82.53691	27.3
83.03789	2.3
89.03922	2.6
91.05405	35.9
91.54214	9.2
92.04293	2.1
94.04503	2.1
100.00535	3.4
103.99832	1.8
105.06979	26.7
107.04926	3.0
107.08537	100.0
109.06450	14.4
113.51038	2.1
118.03429	3.9
119.05979	4.0
135.04396	1.9
135.08026	12.8
136.02116	11.5
136.06154	20.5
136.11172	37.2
139.96698	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	135.1168
Annotation	(S)-(-)-Perillyl alcohol
Peak:m/z	Relative Intensity
53.03883	2.2
55.05460	15.1
56.96501	3.4
57.07009	2.4
64.78572	1.7
67.05426	29.3
69.03356	2.1
69.06975	9.1
71.02916	14.1
71.04896	11.3
76.75679	1.6
79.04962	3.3
79.05408	81.0
80.03407	8.5
81.06974	24.0
85.38320	1.8
91.05412	26.8
92.10227	2.2
93.06972	99.7
95.04339	1.7
95.04897	11.1
105.06988	4.1
107.08543	84.2
109.06435	2.2
135.05496	2.5
135.08047	4.0
135.09079	1.6
135.10640	3.9
135.11662	100.0
136.02142	10.9
136.06146	42.5
136.11172	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03882	2.2
53.89804	1.0
54.81123	1.0
55.01472	1.0
55.05448	11.7
57.07010	2.4
62.20251	1.1
67.05428	24.3
68.09040	1.1
69.06976	7.7
71.02914	9.3
71.04905	10.5
71.52942	1.1
79.05409	68.1
80.03417	12.6
81.06982	25.1
82.53664	1.7
89.03939	1.6
91.05399	19.7
93.06970	82.3
94.06524	1.6
95.04892	9.1
105.06966	5.4
107.08536	54.7
118.06491	6.1
119.08505	1.8
135.04352	1.6
135.08023	2.5
135.11659	100.0
136.02121	7.5
136.06163	22.0
136.07553	2.6
136.11131	9.7
153.16293	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
56.96497	0.9
58.33923	0.2
60.40047	0.2
70.06509	2.0
91.05397	0.4
94.03980	1.8
109.05073	0.4
112.54379	1.1
114.36989	0.3
119.03498	6.5
121.54845	0.5
128.98602	0.3
133.03157	0.3
136.06160	100.0
137.04565	5.8
137.06531	0.6
146.85283	0.2
146.99606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
56.96499	1.2
70.06511	0.8
71.36334	0.5
72.26264	0.5
91.05418	8.7
94.03980	0.9
110.84145	0.6
113.53293	0.9
119.03517	3.9
119.04892	2.3
136.06177	100.0
137.04601	5.3
137.05533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
52.14151	1.0
53.57702	1.1
54.81225	1.2
63.22998	1.2
79.05403	2.0
84.04061	1.1
92.63393	1.3
94.04111	24.4
98.41354	1.3
107.04818	1.3
119.48650	1.2
122.03587	45.7
137.05936	100.0
138.06264	2.1
143.85437	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0549
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03884	0.3
54.81868	0.3
65.03857	0.2
67.05419	0.4
78.03397	0.3
92.04903	1.2
93.05700	0.4
94.06495	11.5
96.04401	2.3
110.05991	10.1
113.82082	0.3
133.32977	0.3
138.05479	100.0
139.05821	1.4
154.04996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03883	0.3
53.69262	0.2
54.43291	0.2
65.03870	0.6
65.76418	0.2
67.05427	0.2
72.16562	0.3
92.04939	1.4
93.05722	1.0
94.06503	12.8
96.04403	2.2
110.06002	10.2
110.06721	0.2
112.59822	0.2
121.06660	0.2
135.51599	0.3
138.05487	100.0
139.05835	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	138.055
Annotation	p-Aminobenzoic acid
Peak:m/z	Relative Intensity
53.03883	2.6
56.96508	5.8
65.03866	4.1
67.05412	0.7
69.66752	0.4
77.57905	0.4
84.08083	0.8
92.04919	4.0
92.10924	0.5
93.05710	4.7
94.06496	44.3
95.04896	9.4
96.04448	0.9
105.04469	1.8
110.05990	7.2
120.04421	35.4
121.04719	0.5
121.06471	0.6
138.05478	100.0
139.05850	1.9
140.41017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16056	0.4
59.97715	0.5
65.24661	0.5
72.60570	0.5
75.38448	0.5
91.03979	0.6
100.02425	0.8
101.00808	11.5
101.02506	2.5
102.02170	0.9
119.01876	100.0
119.03616	3.1
120.01921	4.5
120.03196	0.7
137.02933	50.1
138.03035	2.5
142.03487	26.0
143.03548	1.2
160.04530	12.4
161.04749	0.6
161.69496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27160	0.4
52.77058	0.2
56.96505	1.7
57.03384	0.3
59.29006	0.3
60.04475	0.3
63.06086	0.3
69.06985	0.3
70.06517	0.5
73.06350	0.4
81.04462	18.5
82.04790	0.3
83.06037	1.7
84.08085	2.6
92.10869	0.4
95.06024	7.3
97.02837	0.4
98.97500	0.4
100.02407	1.7
101.00812	8.6
101.01415	0.6
101.02477	2.3
102.02175	0.7
118.03457	1.1
119.01878	100.0
119.07100	1.2
120.01978	2.1
121.02317	0.5
123.03814	0.4
124.02399	0.7
124.03928	0.5
124.08678	6.7
125.07070	7.1
126.05482	3.3
136.03920	0.5
137.02934	54.9
138.03030	1.2
142.03484	28.2
142.09709	1.7
142.12238	3.1
143.03596	0.5
143.08127	5.1
143.11784	3.6
160.04521	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24186	0.3
54.03416	0.3
55.01815	16.6
55.05443	1.5
56.04971	0.7
56.96504	38.6
57.07013	0.7
58.50473	1.4
60.04473	0.4
60.95780	1.7
61.88303	0.3
67.50986	5.6
68.04941	0.5
69.03342	0.5
69.06980	0.3
70.01243	1.6
70.06509	0.3
71.08540	2.6
72.04430	31.6
72.08081	0.3
74.95946	0.3
74.97543	0.4
76.51498	10.3
79.01772	36.2
81.52006	0.3
82.06497	0.4
85.52036	2.3
86.09618	0.4
88.02299	100.0
88.11192	1.8
90.52560	3.9
91.41072	0.3
92.01219	0.7
93.03494	0.4
95.03081	0.3
96.08048	0.6
97.02827	16.2
97.07591	3.2
98.97528	0.4
99.53095	10.9
100.03928	0.4
101.07081	0.5
104.14585	0.4
108.53587	0.5
116.98573	0.4
119.01846	1.4
124.03834	0.4
125.02311	3.4
134.99583	0.4
137.02892	0.7
142.08594	1.7
142.12253	29.6
143.03386	5.7
143.08125	4.2
143.12621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31510	0.2
53.00247	1.1
55.01819	0.5
55.05456	0.4
56.04966	1.2
56.96504	37.4
57.03375	4.1
57.07012	24.1
57.07251	0.3
58.06535	32.7
58.50463	1.5
59.06050	0.2
60.95775	2.0
61.00731	0.4
67.05449	0.4
67.50982	6.0
68.04954	0.5
69.03364	0.4
69.06991	10.0
70.01237	2.2
70.06506	0.3
72.04450	0.3
74.05988	3.3
76.51500	8.8
79.01771	36.7
79.05407	0.4
82.06490	0.4
83.04877	0.4
84.08068	0.4
85.06470	7.6
85.52050	2.4
86.05999	4.1
86.09628	12.2
88.02299	100.0
89.02497	0.3
90.52561	4.3
92.01231	0.6
95.03075	0.4
96.04412	0.3
96.08067	0.3
97.02821	17.1
97.07594	4.5
98.97509	1.2
99.02036	0.3
99.53098	9.3
100.07536	1.3
101.02485	0.4
101.03888	0.3
101.07094	0.4
108.53639	1.3
114.05445	0.3
116.98550	0.5
119.01852	3.4
119.03571	0.5
120.03329	0.3
125.02287	3.0
125.05944	0.4
128.02264	0.5
129.03242	0.3
134.99643	0.5
137.02927	1.3
142.03500	0.5
142.08629	1.6
142.12251	10.3
143.03381	6.1
143.08139	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	142.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14614	0.2
53.00248	0.9
55.01818	0.9
55.05451	0.3
56.04975	1.1
56.96503	31.7
57.03360	0.5
57.07013	100.0
57.24593	0.2
58.07349	1.3
58.50474	1.0
60.04469	0.3
60.34353	0.2
60.95783	2.6
64.33305	0.2
67.50985	4.6
68.04944	0.5
69.03360	1.0
69.06979	0.5
70.01246	1.4
70.06502	0.2
72.04406	0.2
74.97542	0.5
76.51499	8.3
79.01770	32.6
80.20580	0.3
82.06503	0.3
83.00698	0.4
83.04900	0.5
84.04462	0.2
85.52028	1.5
86.05994	0.3
88.02299	79.2
89.02525	0.3
90.52560	4.5
92.01207	1.3
92.10975	0.5
95.03061	0.3
96.04373	0.3
97.02825	13.4
97.07582	3.3
98.97511	0.5
99.01991	0.3
99.53094	9.1
100.07545	5.5
101.00745	0.3
101.02520	0.4
101.07068	0.4
103.52060	0.3
105.01986	0.3
108.53591	0.3
116.98573	0.5
118.08592	0.3
119.00116	1.1
119.01867	3.1
119.03540	0.4
125.02304	2.2
134.99580	0.3
137.01164	0.9
137.02942	2.8
137.53294	0.3
142.03429	1.1
142.05052	0.3
142.08569	1.1
142.12236	4.0
142.28333	0.2
143.03381	6.0
143.08142	3.0
146.99658	0.4
160.04521	0.5
160.27068	0.3
163.02734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0808
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
50.98920	0.5
51.04754	0.5
53.98510	0.5
56.96489	0.7
57.03364	1.0
62.69168	0.5
62.74587	0.5
62.92921	4.3
69.03351	1.3
70.06529	0.6
71.04902	1.3
78.77342	0.6
85.02818	3.7
85.03950	1.3
86.03448	0.7
88.02297	0.7
91.05367	0.8
97.70792	0.6
98.05959	1.3
99.04398	5.5
100.04001	0.7
102.05489	0.8
103.05410	2.2
115.05418	1.1
117.06937	5.7
119.01723	0.6
121.96586	10.8
127.03909	0.7
128.04910	1.2
139.02724	0.7
143.07295	8.3
144.08063	100.0
145.06473	1.3
145.08383	4.1
155.05951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11967	0.3
53.03903	0.4
55.01817	0.9
56.96511	0.7
57.03381	0.6
60.05585	9.5
69.00838	4.2
69.03349	2.1
71.04926	1.7
72.08082	0.8
81.03349	2.2
85.02892	4.7
85.03959	91.3
85.39708	0.4
86.03481	100.0
86.28117	0.4
87.03833	0.8
97.02834	0.7
99.04388	7.2
127.03865	0.9
127.06145	2.5
145.05316	0.5
145.07199	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	146.0601
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
53.03885	0.3
55.05459	0.5
56.05002	0.4
56.96510	0.7
57.03375	0.4
70.06561	0.4
71.04903	0.5
72.04440	0.4
72.08072	4.7
81.03340	1.5
82.06496	1.4
83.04896	0.5
84.04456	0.3
86.03134	0.4
86.05978	0.5
91.05413	20.7
94.25382	0.3
99.04427	0.4
100.04684	1.1
100.07568	0.7
106.74815	0.3
110.06018	1.4
111.04407	0.6
112.11193	0.4
117.05730	4.4
118.06499	100.0
119.04937	2.4
119.06824	2.4
123.96448	1.3
128.04935	5.5
128.07034	0.5
138.31400	0.3
146.06003	39.7
146.07997	1.7
147.04402	2.0
148.29128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
66.15775	0.6
68.10670	0.8
86.97839	0.7
91.05410	16.5
91.38953	0.7
92.25213	0.9
106.66689	0.8
117.05721	4.6
117.09372	0.8
118.06496	100.0
119.06838	1.3
146.05992	26.5
146.06966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
54.41490	0.1
55.05457	0.2
56.04978	0.2
58.73692	0.1
62.40962	0.1
62.92913	0.2
64.92735	0.7
65.03860	0.2
67.05439	0.2
71.04905	0.2
72.04430	0.2
72.08078	0.2
80.04925	0.2
81.03336	1.0
82.06487	0.3
83.04893	0.4
84.04426	0.6
86.06016	0.2
91.05405	16.0
92.10256	0.4
100.04727	0.3
100.07550	0.8
100.46016	0.2
102.77786	0.2
103.39217	0.2
104.90804	0.2
110.05995	0.4
111.04391	0.3
114.44325	0.1
117.05698	5.1
117.06475	0.3
118.06489	100.0
119.06824	1.6
123.96398	2.0
128.07054	0.8
146.05992	22.2
146.08037	0.7
147.06313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1176
Annotation	N-METHYLISOLEUCINE
Peak:m/z	Relative Intensity
54.04205	0.3
55.05452	39.3
57.07026	3.2
63.04649	0.4
64.32862	0.4
72.08061	0.8
83.08537	73.7
84.08877	1.0
91.05399	6.5
100.11185	100.0
101.11549	0.6
119.04896	9.3
133.35936	0.5
146.11732	3.1
147.04387	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.75570	1.2
54.14919	1.4
55.05448	10.9
56.04956	2.3
56.96506	2.3
59.35870	1.3
64.92736	22.1
67.05417	3.1
69.06978	2.2
71.17358	1.8
72.45261	1.6
79.05392	7.2
81.06982	1.7
84.04424	54.0
84.08069	8.3
91.05405	41.9
92.10876	3.4
93.06969	6.7
102.05457	7.2
102.78069	1.4
103.05396	6.5
105.06970	72.2
105.95265	1.5
107.08527	8.1
117.06960	13.2
119.04903	10.5
119.08540	90.3
123.96434	40.9
129.07074	1.6
130.04991	12.6
130.08624	1.7
132.09319	2.5
145.10077	10.1
147.04370	8.2
147.05417	4.2
147.08022	15.5
147.09178	6.5
147.10469	3.5
147.11664	100.0
148.11992	2.4
151.43301	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04978	1.3
65.03864	26.1
69.08665	1.0
80.84798	1.0
88.07542	2.7
93.03334	6.5
94.09621	1.1
108.08057	5.7
111.04377	7.1
121.02817	37.8
121.03918	8.6
149.02318	100.0
150.12735	7.0
167.03336	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	149.0597
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
50.75476	0.3
52.78987	0.3
53.03888	2.0
56.96497	0.8
63.96035	0.3
65.03853	0.4
77.03835	0.4
79.05405	72.8
80.05725	0.5
85.04752	1.8
91.05404	4.4
93.06963	11.4
95.04894	7.1
102.04642	0.4
103.05399	100.0
104.05747	0.8
105.04416	1.3
105.06957	2.2
107.04893	44.7
121.02800	0.6
121.06468	5.2
131.04884	15.3
149.02278	0.8
149.05962	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	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03876	3.8
55.01818	13.9
55.05455	4.3
56.04972	4.1
56.96483	1.8
57.03363	2.5
59.04926	3.0
61.01077	2.8
65.03860	13.7
67.05421	8.6
68.59690	1.5
69.03342	3.2
73.06477	3.8
76.56741	2.2
79.05408	52.8
81.06976	2.6
84.04430	2.6
85.04758	9.6
88.07536	3.7
91.05407	47.1
93.03345	2.1
93.06975	47.8
95.04887	8.6
103.05402	11.5
104.05254	3.3
105.06979	44.2
107.04901	21.9
107.08538	60.3
108.08067	21.9
109.06474	3.8
111.04377	2.6
116.06201	8.5
119.05995	2.5
119.08531	4.8
121.02825	14.6
121.03773	2.4
121.06445	13.1
121.09264	3.3
121.10069	25.4
122.05959	2.9
131.08527	34.0
149.02357	37.9
149.05927	8.4
149.07074	3.4
149.08391	4.6
149.09599	100.0
149.10657	4.6
150.05481	2.4
150.12740	21.8
160.17029	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	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
50.86464	0.9
53.03875	1.5
54.81500	1.2
55.01794	1.3
55.05435	1.3
56.04967	2.0
56.96490	2.7
57.57354	1.0
65.03852	2.6
67.05435	4.3
68.57806	1.0
69.03334	1.9
74.40730	1.1
79.05414	16.0
81.06966	5.2
84.04456	1.1
85.04781	2.3
90.60841	1.7
91.05410	34.8
93.06970	21.9
95.04887	2.8
103.05372	5.0
105.03292	1.1
105.06978	19.0
106.07756	1.2
107.04918	1.8
107.08545	7.7
108.08055	7.4
109.06467	4.2
115.05370	1.9
116.06208	10.8
119.08533	2.6
121.02836	6.4
121.06465	13.5
121.10090	22.0
123.08006	2.5
129.06941	2.5
131.08517	15.4
133.06500	1.2
133.07581	1.4
134.07246	1.9
136.56438	1.3
149.02356	14.8
149.07100	2.0
149.09604	100.0
149.13167	1.9
150.09996	1.6
150.12766	5.9
157.94017	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
55.01801	12.7
55.05435	3.4
56.96487	3.4
65.03868	7.2
66.89202	1.7
67.05418	9.1
70.30390	1.8
79.05408	54.3
81.06954	2.7
91.05401	34.9
93.03337	2.0
93.06961	42.3
93.25261	1.9
95.04890	8.1
96.95333	2.0
97.00182	2.0
100.33376	1.8
103.05370	2.6
105.06962	47.6
107.04898	20.5
107.08536	63.5
108.08043	9.6
115.05415	2.2
119.08540	2.8
121.02791	4.7
121.06437	8.9
121.10081	18.5
129.06949	3.8
131.08525	33.1
149.02324	17.3
149.08397	4.6
149.09590	100.0
150.12782	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	150.0551
Annotation	2,3-Dihydroxyindole
Peak:m/z	Relative Intensity
53.03889	1.5
55.01828	0.5
56.04977	5.7
56.96501	5.3
57.03374	1.6
61.01073	2.2
65.03873	4.1
67.05430	0.7
68.41463	0.4
68.95205	0.4
69.03344	0.5
69.06989	0.6
72.04432	100.0
73.02827	0.4
77.03828	0.4
78.04626	0.9
79.04141	0.4
79.05408	8.3
90.04961	0.7
90.05484	14.9
90.20441	0.4
91.05421	0.5
92.01262	0.4
94.06517	0.9
95.04910	3.6
98.97508	0.6
102.05493	0.7
103.52026	0.7
104.04964	2.3
104.07031	0.5
105.06962	0.5
106.06503	4.0
107.04232	0.6
107.04886	4.4
119.01814	0.6
121.06477	0.7
122.03209	0.4
122.06014	2.9
125.48621	0.4
128.02264	0.5
132.04395	3.9
132.06514	2.8
133.03154	0.9
135.10382	1.9
141.49469	0.4
150.05482	58.8
150.07645	1.8
150.09113	1.4
150.10208	0.7
150.12762	12.5
151.03943	0.6
151.05804	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	151.0388
Annotation	Piperonal
Peak:m/z	Relative Intensity
50.31082	0.6
50.41581	0.6
50.78884	0.6
51.34332	0.6
53.03885	3.2
54.81730	0.7
55.01807	4.6
56.96510	1.5
57.94483	0.6
58.06532	3.7
59.07321	6.4
64.39819	0.7
65.03873	14.8
67.05438	13.7
68.95202	1.4
79.05389	0.7
80.02539	1.3
85.02834	0.9
92.10921	0.8
95.04900	11.9
98.03616	0.9
98.97565	0.9
105.04486	1.0
105.06999	1.3
105.65328	0.8
107.88828	0.7
108.02045	23.3
111.04404	3.4
115.45403	0.8
117.97388	0.7
125.48587	0.8
136.01524	3.0
141.05440	21.5
141.06465	1.3
143.16844	0.8
150.12709	1.0
151.03886	100.0
151.05029	26.3
151.13097	3.7
151.62523	1.1
152.07031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	guanine
Peak:m/z	Relative Intensity
56.04970	1.6
58.06536	45.0
59.06863	1.6
59.07317	46.4
60.07652	1.1
60.08084	6.1
67.05417	1.1
70.06509	2.2
72.08060	1.0
74.05984	4.9
84.08085	8.1
103.16153	0.8
107.14778	0.9
109.05064	1.4
110.03479	12.5
114.12764	5.7
123.04773	1.1
128.04501	7.5
133.14841	1.0
135.03000	16.7
151.62531	16.7
152.05658	100.0
152.12688	2.3
153.04054	46.8
153.05965	1.2
154.02516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0407
Annotation	Xanthine
Peak:m/z	Relative Intensity
50.82367	0.5
52.53009	0.5
55.02920	3.0
56.04972	0.8
56.96497	4.4
57.03360	1.3
58.06536	4.9
58.90154	0.5
59.07313	1.4
60.07647	0.8
61.02864	0.6
69.00845	1.7
69.03354	4.7
70.06513	4.9
72.08054	1.3
81.00827	1.4
82.03957	0.9
84.08067	0.9
86.03470	10.7
86.32265	0.7
87.09166	1.0
98.97520	1.5
99.04425	0.8
108.01861	0.8
110.03475	41.1
114.05472	1.2
116.98570	2.8
128.04498	7.7
128.07059	1.1
129.53404	0.7
134.99622	2.8
136.01399	52.8
152.12640	0.8
153.04056	100.0
154.02452	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.05
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40263	0.2
55.05436	0.2
56.96505	1.4
61.68641	0.2
68.65659	0.2
72.93687	0.5
75.07619	0.2
81.06975	0.2
82.05233	0.4
84.04382	0.7
91.05401	0.3
94.02864	1.5
94.58534	0.2
102.53291	0.4
104.71905	0.2
112.03915	100.0
113.04234	0.9
113.96322	0.2
125.53568	0.4
136.07587	0.5
137.02332	0.5
140.03406	94.5
141.03787	1.5
142.03850	0.3
147.03392	0.2
154.04967	7.3
154.08545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	4.8
55.01820	7.1
55.05453	1.4
56.96509	6.7
57.03368	1.4
67.05424	5.1
69.03350	7.4
69.06987	100.0
70.06197	1.0
70.06512	15.5
71.95180	1.3
72.93703	6.6
80.04926	1.6
84.08064	5.3
86.05948	1.5
86.09624	38.8
90.94742	1.2
92.10265	1.5
95.04901	1.0
95.53138	1.7
98.05976	16.5
100.77197	0.8
108.08029	1.8
109.10107	1.8
112.07558	6.8
113.03411	0.8
119.01819	1.5
124.49977	0.7
126.05416	1.0
131.97392	5.5
136.03964	1.1
136.07565	3.4
138.01797	1.7
154.04977	4.1
154.08612	5.9
154.12236	10.3
168.63463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14576	0.7
53.03870	1.0
55.01813	100.0
55.05451	73.6
55.05847	1.1
55.95539	0.6
56.96490	4.4
65.03869	0.8
67.05418	1.3
67.11492	0.7
69.06997	1.0
69.48872	0.7
71.94023	0.7
71.95163	1.1
72.04427	21.3
72.93700	3.6
80.19750	0.9
83.08540	21.1
84.01514	0.7
84.04427	41.9
86.52627	0.7
91.30309	0.9
95.08535	0.9
98.09603	1.3
100.11181	38.6
101.11536	0.9
108.04442	0.7
108.08059	0.7
109.09171	0.8
109.30831	0.8
113.96353	1.4
126.05484	0.9
126.09113	0.9
131.97386	1.2
132.93930	0.8
135.00177	0.8
136.07492	0.8
138.01901	1.3
154.04948	4.9
154.08621	1.9
154.12228	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	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
55.01812	1.6
55.05452	42.2
56.96503	2.6
57.03101	3.1
57.03376	76.2
57.07020	2.2
65.03863	3.3
67.05428	68.6
69.03335	2.3
69.71552	1.5
71.04910	45.4
72.93703	20.5
73.06472	3.0
76.26337	1.7
79.05410	19.2
81.03306	3.1
81.06976	19.8
83.04899	100.0
90.94749	4.1
91.05410	3.8
93.06995	3.9
94.21471	1.8
95.04893	10.7
95.08534	15.9
107.08563	2.8
109.06464	4.0
109.10105	22.0
110.02330	2.1
110.06019	2.3
110.07104	6.8
111.08056	14.9
113.09594	2.5
113.96365	9.6
119.08535	3.2
131.97403	9.0
132.95871	2.0
137.09567	2.8
138.01855	7.3
138.05473	2.6
149.32445	1.9
150.96924	6.5
155.07042	2.8
155.10640	7.1
156.02791	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	156.042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36114	0.8
60.29564	1.0
74.09631	7.4
74.23344	0.9
82.05226	1.6
83.06023	12.1
93.04462	7.8
95.06026	8.5
96.96829	2.1
97.49130	0.9
101.69377	0.9
101.72454	0.8
110.07112	100.0
118.68612	1.0
119.01870	3.9
130.06253	9.0
138.91125	0.9
156.04184	56.9
156.07652	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	156.0656
Annotation	(3S,5S)-Carbapenam-3-carboxylic acid
Peak:m/z	Relative Intensity
54.81936	0.5
55.01810	1.2
56.04959	0.8
56.96499	5.6
64.33501	0.5
65.08148	0.4
67.05413	0.6
68.04933	0.6
70.95773	2.9
72.93700	3.3
73.02832	21.1
76.56518	0.5
82.02844	2.3
82.06492	3.5
83.06004	2.4
83.34141	0.5
84.04430	38.5
90.94756	0.7
93.04440	2.5
95.06020	0.7
96.04416	2.9
108.04450	0.6
110.02352	100.0
110.05979	18.4
110.07101	26.8
110.07750	0.6
111.98461	0.5
114.05451	2.8
114.37508	0.5
129.99478	0.6
132.95811	2.7
138.04454	1.1
138.05481	23.0
150.96875	8.5
156.06519	12.5
156.07678	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	156.0769
Annotation	L-Histidine
Peak:m/z	Relative Intensity
51.66162	0.3
56.04970	0.5
68.04942	0.6
69.78642	0.3
81.04471	0.8
82.05243	2.7
83.06023	11.5
86.57093	0.4
93.04459	8.5
95.06023	6.5
109.92976	0.4
110.07114	100.0
111.07447	0.6
139.85768	0.4
156.07657	12.0
158.31429	0.5
168.25304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0768
Annotation	L-Histidine
Peak:m/z	Relative Intensity
56.04966	0.7
56.99742	0.3
68.04946	0.5
71.59552	0.3
73.66644	0.3
74.09634	1.4
76.56577	0.3
77.53446	0.3
81.04446	0.6
82.05257	3.4
83.06023	12.6
93.04460	8.2
95.06020	7.3
98.62800	0.3
110.07116	100.0
111.05545	0.7
111.07471	0.6
119.01847	2.3
126.28264	0.3
130.06294	1.9
137.02934	1.4
138.05513	0.6
142.03441	0.3
156.04190	6.9
156.06372	0.4
156.07658	11.8
156.10126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1382
Annotation	2-Propanone, 1-[(2R,6R)-6-methyl-2-piperidinyl]-
Peak:m/z	Relative Intensity
53.00241	1.8
53.35246	0.9
54.32301	0.9
55.01557	1.7
55.01812	46.8
55.05449	1.9
56.96291	0.8
56.96499	15.3
57.07008	9.3
69.03344	22.8
69.06984	2.3
70.06514	1.2
72.04428	93.2
73.02806	1.5
74.04501	0.9
74.93729	0.9
84.04429	1.8
85.10110	2.5
93.40051	1.0
96.04431	1.1
97.02819	23.6
100.11169	1.1
102.12735	4.4
108.99001	1.0
110.02349	5.2
110.05968	4.1
110.07111	6.0
111.08111	0.9
116.00134	2.2
138.05475	4.2
150.96939	1.0
156.10208	1.9
156.13806	100.0
157.14221	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28608	0.5
50.62909	0.4
53.00240	0.9
55.05449	7.1
56.96243	0.7
56.96500	11.3
57.07013	100.0
67.05416	0.5
72.08057	3.7
74.93074	0.6
82.02857	0.6
82.06503	0.9
83.04932	0.6
83.06001	1.0
84.04420	1.1
85.06467	17.1
88.51414	0.5
93.07008	0.7
96.04408	2.5
100.07563	7.7
100.93426	0.5
102.09138	4.6
110.02350	4.3
110.06011	1.4
110.07097	8.0
114.09114	3.7
116.00185	0.9
124.06051	0.6
129.39995	0.5
138.05469	3.1
150.96878	1.0
156.07982	3.7
156.13812	36.0
166.28918	0.6
166.89531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	2.9
54.01001	0.6
54.68970	0.6
55.01806	0.6
55.05447	1.4
55.46154	0.6
56.48141	0.6
56.83298	0.7
56.94691	0.6
56.96500	15.4
61.81818	0.6
69.03339	1.6
70.95785	0.8
71.08546	100.0
73.02834	1.1
83.06010	0.8
84.04436	1.1
90.10761	0.7
95.03797	0.8
95.06016	0.9
96.04413	1.0
96.05195	0.7
97.02787	0.9
97.99115	0.9
110.02348	6.8
110.05975	4.3
110.07131	8.4
114.09152	1.7
114.31683	0.6
115.03828	0.7
115.04990	0.8
116.00169	1.3
121.56349	0.7
138.05458	1.7
150.96843	1.2
156.06509	2.8
156.07852	1.3
156.10190	0.9
156.13802	8.7
171.02380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81689	0.9
55.05453	97.2
56.96504	21.3
57.03377	30.1
57.07014	7.2
67.79522	1.1
74.05996	34.2
74.93103	1.5
81.51496	1.4
83.08546	39.3
84.04381	1.1
86.05995	22.1
92.10928	1.3
95.89962	1.2
96.04454	1.7
97.99112	1.6
100.11192	100.0
101.11500	2.0
107.13343	1.2
110.02353	3.0
110.05988	2.0
110.07121	11.4
138.05470	2.1
150.96898	1.5
156.06554	1.9
156.07970	2.9
156.13806	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	158.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	0.6
53.07431	0.5
53.64935	0.4
56.96285	0.7
56.96505	11.4
57.03360	2.9
57.06741	1.1
57.07014	30.7
61.65101	0.6
67.51964	0.5
70.06510	8.0
70.67986	0.5
71.04934	0.6
71.95210	0.6
74.06007	7.0
74.09631	4.9
80.78510	0.7
82.56875	0.6
84.04439	0.9
84.08053	3.9
85.06471	10.2
90.33703	0.5
90.82606	0.5
92.01235	0.7
98.06001	2.9
98.96894	1.2
98.97512	28.1
102.09117	69.5
112.07552	5.2
116.07033	1.3
116.98569	36.2
126.30085	0.6
130.06485	2.5
131.11737	0.6
134.99626	41.1
140.07050	0.8
153.00693	11.6
158.01205	1.3
158.08105	3.9
158.09526	1.3
158.15375	100.0
159.15678	1.2
179.85779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25357	0.7
55.05457	1.2
56.04970	1.4
56.96506	16.8
57.03369	1.6
58.06531	20.5
59.07319	1.6
63.54999	0.7
67.05429	1.7
68.04905	0.9
69.06987	1.8
70.06510	72.5
71.04902	1.4
72.08071	100.0
73.02863	1.1
75.04396	1.0
81.03336	3.9
82.06509	1.3
84.08070	79.7
86.03587	0.9
86.09648	6.9
87.03935	0.9
89.10715	39.7
93.44854	0.8
94.06494	11.0
96.04417	9.9
98.05994	1.8
98.09628	16.7
98.97517	53.9
99.53414	1.0
100.02417	1.3
100.07530	1.1
110.09642	4.2
112.07522	8.2
112.08675	7.1
112.11208	1.4
114.09116	1.3
115.12294	6.6
116.07058	1.6
116.98574	54.5
119.01890	1.7
122.05977	9.8
126.02471	1.0
134.99626	42.1
140.06149	0.9
140.07048	8.1
140.10658	0.8
146.98129	0.9
153.00731	9.5
158.01192	1.3
158.09181	9.7
158.11731	4.7
158.15367	6.6
158.16562	4.6
159.11273	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	159.0439
Annotation	1,2-Naphthoquinone
Peak:m/z	Relative Intensity
53.03894	1.7
54.81880	1.2
55.05443	0.9
56.96497	2.6
57.03360	1.4
70.06513	1.1
72.04433	6.0
72.08076	2.1
78.17744	1.1
93.49008	1.3
95.04928	8.2
98.97519	4.4
103.05408	100.0
105.03301	1.3
116.98592	6.7
117.98869	1.8
131.04893	64.1
131.11774	4.5
134.99632	4.4
159.04395	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0916
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
64.32933	1.0
66.85009	0.9
75.40334	0.9
91.05396	1.3
98.97498	4.2
115.05408	25.7
116.98595	4.1
117.05708	21.5
118.06503	14.4
130.06508	28.9
131.06870	4.7
132.08060	100.0
133.08357	1.9
134.99629	2.2
142.06500	22.0
159.09152	73.6
160.07562	16.5
167.64606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01822	1.0
55.05454	1.0
56.04970	0.8
56.96507	13.0
57.03370	0.7
58.06532	4.4
69.07001	5.7
71.04919	0.8
72.08074	100.0
76.55841	0.7
84.08076	1.1
86.06033	0.9
86.09628	8.1
87.04383	1.3
89.10732	7.1
91.05383	0.7
92.63241	0.7
95.50679	0.7
96.08079	3.0
98.69482	0.7
100.07537	1.3
101.00829	3.3
101.05940	2.6
104.07063	0.7
106.52515	0.8
110.97524	1.1
112.54372	7.5
114.09124	2.7
119.01883	39.9
120.01955	0.9
121.54936	7.0
124.27840	0.7
126.12746	4.4
128.98587	3.5
137.02937	20.3
137.03906	1.3
142.03497	15.8
142.08638	1.0
143.15379	1.4
146.99652	4.1
160.04474	6.8
160.06523	0.8
160.09650	1.1
160.10843	1.2
160.18025	6.7
161.01173	1.2
174.87971	0.7
178.07483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1333
Annotation	2-Aminooctanoic acid
Peak:m/z	Relative Intensity
55.01800	0.5
55.05454	13.3
56.04975	0.7
56.96507	2.8
62.84013	0.3
63.38844	0.3
69.06981	2.3
72.04416	0.6
82.27637	0.4
86.09641	0.5
96.04459	0.6
97.10096	5.6
100.07524	0.5
100.18266	0.4
104.05731	1.8
104.71202	0.4
112.03908	2.0
114.12759	100.0
115.13092	1.9
116.98555	0.4
117.05701	0.7
118.06512	5.7
119.01886	1.6
126.01511	0.4
130.06485	0.6
131.04930	0.4
131.07248	0.5
132.05237	1.5
132.06313	0.4
132.08049	2.3
133.08411	0.4
135.02023	0.5
137.02895	0.6
140.03404	7.9
142.03505	0.9
144.08110	0.4
149.01794	0.4
159.04427	0.8
159.99712	16.8
160.04681	0.7
160.07503	0.8
160.09503	0.5
160.13307	1.4
161.00052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1808
Annotation	sym-Homospermidine
Peak:m/z	Relative Intensity
55.01826	0.8
55.05452	0.9
55.35654	0.4
55.35918	0.3
56.04970	0.9
56.96500	6.0
57.03378	2.1
58.06535	5.1
59.04945	0.7
60.05571	1.5
64.33208	0.4
69.03347	1.7
69.06990	2.1
70.06507	1.8
71.04900	3.0
72.08069	100.0
73.02817	0.6
73.08383	0.5
74.02359	0.7
74.06004	0.4
80.23144	0.4
81.03364	0.6
82.01385	0.4
82.06509	0.4
83.04889	0.6
84.08063	2.5
85.02808	0.7
86.03494	2.5
86.05982	0.6
86.09627	7.3
87.04393	0.9
88.03941	0.7
89.10718	8.2
92.10846	0.6
96.08051	2.1
98.05996	0.6
98.09637	0.5
98.97528	2.0
100.02417	0.9
100.07550	1.7
101.00811	7.0
101.01429	0.6
101.02507	0.5
101.05960	2.2
102.00933	0.4
102.02118	0.5
104.05714	0.6
110.07116	0.5
112.54369	3.1
113.04383	0.4
114.09126	2.0
116.04718	0.6
116.07095	0.5
116.98576	1.8
118.03438	0.8
118.06485	1.9
119.01873	80.3
120.01971	4.6
121.54907	2.4
124.02420	0.7
124.93868	0.9
126.12743	5.6
128.66162	0.4
128.98546	0.7
131.01967	0.7
134.99622	1.9
137.02934	44.8
138.03072	2.3
139.04979	0.6
142.03477	32.7
142.08652	0.6
143.02556	0.7
143.03648	3.4
143.15433	3.8
146.99609	0.6
158.02325	0.7
160.04526	18.8
160.09650	1.6
160.10744	0.6
160.13335	0.5
160.18050	5.4
161.02908	1.0
161.04631	1.9
179.03961	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96502	0.3
58.68495	0.2
59.50992	0.2
60.95076	0.6
60.95772	0.3
62.95002	0.3
65.77019	0.2
72.08073	1.7
82.99760	0.2
94.04960	0.3
97.31849	0.3
101.00816	7.8
101.95007	0.3
102.00910	1.2
107.52139	0.3
114.37011	0.4
116.98631	0.5
119.01879	100.0
119.98780	1.2
120.01952	15.2
121.01617	2.4
133.03465	0.4
137.02934	65.9
137.49976	0.4
137.99811	1.5
138.03017	8.0
139.02654	1.1
142.03468	1.7
143.03609	8.2
144.03256	1.2
151.78142	0.2
158.96695	0.3
160.04500	1.3
161.02924	2.6
161.04637	5.4
162.04251	0.5
168.90492	0.3
179.03976	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	162.076
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
53.99109	0.3
54.81594	0.4
55.01813	4.7
55.05263	0.2
55.05453	3.7
56.04974	21.5
56.96499	1.3
57.03369	3.1
57.07023	0.5
58.06532	4.1
59.07310	1.9
60.08088	2.1
61.02857	5.0
67.05438	0.9
67.35781	0.3
69.03342	2.5
69.06999	2.4
70.06519	2.9
71.04901	1.4
72.04411	0.3
72.08067	0.8
73.02836	2.5
73.06465	2.1
73.06861	0.3
73.78825	0.3
74.05988	0.5
76.09976	0.3
81.03336	1.7
81.06971	1.7
83.08536	2.1
84.04427	100.0
84.08055	5.1
85.02827	7.7
85.06482	0.7
86.03458	3.8
87.04388	1.3
90.05496	1.7
91.03870	0.7
92.01222	0.4
95.01285	0.4
95.04877	0.5
97.02821	1.4
98.05975	5.9
98.97514	0.4
99.04362	0.5
99.08071	0.3
100.02419	3.2
101.02472	0.3
101.54980	0.4
102.05485	3.0
102.09118	4.9
103.03848	2.4
104.10675	0.5
116.07036	29.9
116.55489	0.4
116.98633	0.4
118.03477	4.4
119.01844	1.9
119.87377	0.3
120.01993	3.8
120.03178	0.4
121.01629	5.7
121.54723	0.5
126.09096	1.8
130.04970	13.3
130.55254	2.2
131.01898	0.7
131.05345	0.4
138.02974	3.5
139.02695	3.4
141.02641	0.4
142.03493	0.4
142.06024	0.4
143.03673	0.3
144.03163	2.6
144.06601	0.7
144.10187	0.5
145.04915	4.4
149.06601	0.6
157.03546	0.5
161.06618	0.5
162.04314	2.2
162.06345	0.6
162.07536	3.8
162.11237	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	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03890	2.1
55.01819	0.7
55.05452	1.3
56.96511	2.4
57.03379	3.3
57.07009	2.0
60.09006	0.3
61.02859	5.5
62.92920	7.2
69.03352	9.8
69.03701	0.6
69.45197	0.3
71.01276	0.4
71.04911	1.8
73.02824	3.4
75.27600	0.2
79.05408	0.5
81.03348	3.4
81.06987	0.4
83.00704	0.6
83.04890	0.5
85.02827	5.3
87.04412	0.5
89.05978	0.5
91.03898	1.9
91.05417	0.6
92.01224	2.1
95.04891	3.0
97.02831	2.2
98.97520	1.6
99.04395	4.0
100.02410	1.9
101.02335	0.4
102.04614	0.4
103.05410	100.0
103.52048	0.5
104.05743	2.3
105.06992	0.4
107.04922	0.6
107.08549	0.6
116.00156	0.3
116.98591	0.5
117.05441	3.0
118.03486	0.6
121.10101	0.5
121.96600	12.1
127.03902	0.8
128.02299	0.7
131.04901	72.7
132.05286	1.5
133.02802	0.4
134.99657	0.7
135.04413	0.4
135.08012	0.5
144.98250	0.4
163.03940	2.5
163.05081	0.3
163.07509	4.7
163.08684	0.6
163.11136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03875	7.1
54.48602	1.3
55.01807	16.3
55.05450	11.0
56.96485	3.1
57.03358	3.1
57.06996	2.7
57.10035	1.5
61.02840	8.2
62.92923	13.9
65.03876	1.7
67.05433	18.5
68.42864	1.4
69.03341	18.0
69.06960	2.3
71.04902	3.7
71.45898	1.2
73.02807	2.6
74.33220	1.6
79.05405	63.6
81.03339	2.9
81.06975	96.2
85.02808	7.4
87.04405	2.0
91.05396	29.4
93.06972	100.0
94.07293	1.4
95.04895	23.6
99.04364	3.6
100.02389	1.4
103.05399	32.1
105.04436	1.5
105.06970	40.6
107.04904	2.4
107.08526	26.7
109.06469	32.0
117.05444	1.7
117.06960	16.4
119.08535	36.8
121.06441	8.5
121.10098	82.0
121.96600	24.3
123.07983	1.7
127.07512	20.4
127.66038	1.5
129.06908	2.3
130.07738	15.0
131.04903	21.7
133.06520	1.9
135.07999	9.1
135.11649	9.9
143.08556	3.5
145.10103	99.3
146.10510	2.4
163.03856	3.7
163.11147	96.3
164.11472	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	165.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	3.5
55.05448	14.9
56.96490	8.1
57.03379	1.6
57.07014	1.6
64.92731	13.5
67.05431	13.6
69.03342	2.7
69.06983	4.6
79.05408	29.7
81.06974	29.0
83.04893	2.7
85.07407	1.8
88.18784	1.7
91.05411	49.7
93.06973	18.4
95.04892	17.6
95.08533	17.9
96.66672	1.8
101.00848	7.4
101.02548	2.4
103.05388	13.7
104.06144	2.9
105.06973	100.0
107.08583	6.7
109.06444	3.0
109.10020	1.8
115.21928	1.9
117.06963	10.4
119.01875	95.6
119.04909	17.0
119.08533	76.2
120.01975	2.9
120.08061	33.9
121.10103	9.9
123.04381	2.4
123.07983	6.8
123.11668	8.2
123.96428	18.3
129.36687	2.4
137.02928	61.6
137.09575	2.8
138.03058	1.8
142.03479	49.1
143.03633	2.0
145.10117	2.6
147.04384	22.2
147.11655	11.1
148.03883	2.1
160.04514	26.2
165.09076	2.8
165.11388	2.1
165.12701	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	166.0862
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.48803	0.1
51.02314	0.2
53.03879	0.2
53.84772	0.1
55.40398	0.1
56.22620	0.1
59.95660	0.1
63.13065	0.1
65.41635	0.1
67.09582	0.1
77.03835	0.2
79.05409	1.5
80.11878	0.1
91.05403	0.8
93.06973	3.0
95.04882	0.9
103.05401	13.6
107.04901	2.3
114.35794	0.1
118.06451	0.2
120.08057	100.0
121.08408	0.8
131.04880	1.6
149.05931	0.4
155.40256	0.1
166.08617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03894	2.2
53.06460	1.5
55.01805	11.8
55.05441	12.0
56.96491	8.7
57.03381	1.6
59.55124	1.9
67.05418	9.2
69.03308	1.8
69.06979	12.3
71.04916	2.5
79.05409	70.0
81.06952	7.1
83.04870	3.8
84.95940	2.8
90.15329	1.7
91.05400	37.5
93.06973	59.8
95.04881	15.7
95.08530	2.8
97.06449	4.2
98.42843	1.6
105.06983	49.9
107.04878	8.8
107.08542	100.0
108.08111	2.0
109.06473	3.3
114.48396	1.7
119.08537	7.0
120.08077	2.9
121.01615	23.8
121.02917	2.3
121.06437	7.9
121.07602	3.4
121.08362	18.6
121.10097	46.5
123.08018	4.3
123.51580	2.0
131.08528	26.8
137.09569	8.3
139.02704	16.6
144.03242	9.5
144.83295	1.8
149.05994	3.3
149.09601	56.3
162.04202	2.8
167.06953	7.9
167.08240	2.6
167.10651	30.0
168.70291	2.1
181.42735	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00254	0.9
53.03873	4.4
55.01796	4.0
55.05450	100.0
56.04985	0.9
56.96484	1.6
63.61435	0.8
65.03854	3.6
67.93503	1.1
69.02956	0.9
69.03329	6.0
69.06994	1.3
70.06517	6.7
73.30450	0.9
79.05392	1.5
81.03329	13.2
81.06960	4.8
83.04892	1.1
83.08537	25.4
84.08055	2.0
85.02817	1.2
94.06502	1.2
97.02808	7.2
98.05982	9.8
98.09608	9.5
100.11185	23.9
109.02825	15.7
111.04395	3.5
122.05911	1.3
125.05993	1.0
126.05521	1.8
126.09081	8.6
127.03882	7.9
140.06952	1.1
141.05434	1.3
142.73224	1.1
150.05498	1.3
152.03381	4.7
168.06461	3.6
168.11339	1.4
168.13821	5.7
169.04951	1.9
169.07574	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	168.1384
Annotation	4-Epimyrtine
Peak:m/z	Relative Intensity
53.00235	1.6
53.03883	0.9
54.81463	0.7
55.01811	1.0
55.05196	1.1
55.05457	26.5
56.96501	3.6
57.07008	7.5
65.03869	1.5
67.05428	5.4
67.93482	0.8
69.03333	1.5
69.06992	100.0
70.06516	11.7
80.05701	0.7
81.03336	4.1
81.06976	1.2
83.04903	5.1
84.08081	6.2
85.59534	0.7
86.09634	50.4
92.10234	1.3
93.08563	0.7
97.02804	1.3
100.07567	13.1
108.48790	0.7
109.02812	3.8
109.06496	0.8
111.04360	1.7
112.07561	15.3
117.29391	0.7
121.01563	0.9
122.05955	1.4
126.05461	1.2
127.03863	3.4
141.05424	0.9
152.03386	3.7
168.06543	1.3
168.10054	1.2
168.11485	1.0
168.13809	29.9
169.07568	1.5
176.56807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	Methyl 3,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
51.02315	0.7
52.70802	0.6
53.03888	29.6
58.99430	0.6
65.03860	1.7
71.04888	1.0
81.03339	86.4
82.68433	0.7
93.03335	0.9
94.53482	0.7
97.02825	37.7
98.03162	0.7
109.02831	100.0
110.03169	1.1
111.04385	4.4
127.03881	11.6
133.34503	0.7
139.03748	1.0
152.03394	5.7
169.04884	1.7
169.07576	6.4
170.04454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
51.06403	0.4
54.81696	0.5
55.01795	0.8
56.96503	1.2
62.84291	0.5
65.03854	2.9
67.01804	7.2
67.05425	4.2
68.99702	4.1
83.04904	0.5
85.02805	0.6
86.03457	0.6
95.04896	9.5
95.08529	0.8
101.66521	0.5
111.00755	0.5
111.04394	2.5
115.05403	0.8
123.04386	47.1
124.04733	0.9
125.05919	0.6
127.03880	10.6
141.05457	1.3
146.98119	0.6
151.03888	58.2
152.93443	0.5
169.04941	100.0
169.07558	81.3
170.05331	0.6
178.29128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.076
Annotation	Norharman
Peak:m/z	Relative Intensity
56.96501	0.2
57.51974	0.1
58.06521	0.9
65.03869	0.1
69.00815	0.7
69.16211	0.2
72.08058	0.3
76.95706	0.2
84.08053	0.3
86.03481	3.0
92.10268	0.2
102.23652	0.2
111.04391	0.2
115.05389	1.5
119.39359	0.2
130.06424	0.2
142.06477	0.3
149.89175	0.2
164.07027	0.6
168.06796	0.8
169.07567	100.0
170.07916	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	170.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00989	0.8
67.37632	0.8
87.42189	1.0
92.11697	0.8
109.10001	1.0
110.05987	1.0
111.13795	1.0
115.05410	66.7
128.38979	0.9
142.06503	38.1
170.05974	100.0
171.05370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81307	1.1
53.00235	2.6
54.33791	1.0
55.05442	7.2
56.96512	1.3
57.03377	1.2
57.06741	3.0
57.07011	78.7
67.05442	1.7
69.06987	69.9
70.39905	1.2
70.60854	1.4
72.04417	8.8
74.05976	2.5
74.34621	1.4
83.08506	2.3
83.23362	1.3
84.04420	15.3
84.08086	1.6
85.05988	2.3
85.06467	51.4
86.09624	100.0
89.07085	1.6
97.61604	1.4
100.02429	2.5
100.07540	1.6
102.09117	31.3
102.58446	1.4
110.05942	1.7
114.09116	10.5
124.07538	2.1
130.04968	6.4
132.10246	1.5
137.80907	1.4
146.96120	2.0
149.47627	1.3
152.07024	2.5
153.03673	1.3
163.03867	5.8
170.08052	2.6
170.09595	5.7
170.15372	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	22.5
56.96494	0.7
68.95171	0.6
72.04433	100.0
73.04764	0.6
83.08543	26.0
84.04415	3.9
89.07079	56.6
90.07434	0.5
126.09085	0.6
128.02286	0.5
130.04945	0.9
171.14893	53.4
172.15369	0.8
189.64223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41523	0.6
55.05455	1.4
56.04958	1.1
56.96502	8.7
57.03374	1.1
58.06527	3.4
60.05585	100.0
67.05438	1.1
69.00861	1.0
69.06994	1.7
70.02853	0.8
70.06519	13.4
70.08178	0.7
70.45046	0.7
71.98203	0.8
72.06799	3.8
72.08070	1.7
72.93713	1.2
79.05433	0.9
80.70911	0.7
80.78954	0.7
81.03343	1.3
81.06958	1.7
83.01249	0.8
84.04421	1.0
84.08079	8.1
85.02833	0.8
85.03941	1.2
85.07106	1.4
85.07596	41.5
86.03483	27.0
86.05997	0.9
86.09625	3.6
87.09161	10.8
90.94718	1.0
98.04732	1.3
98.97511	3.6
109.06444	1.2
110.06016	0.9
110.07081	0.9
112.07547	0.9
112.08709	0.8
113.03481	0.9
113.07085	98.9
116.07042	1.1
116.98569	1.2
119.01883	5.6
126.01509	2.9
126.09140	5.2
129.10286	1.0
130.09749	0.9
131.01862	0.9
131.05551	1.1
131.96048	1.1
134.99641	0.9
137.02902	3.3
141.07707	1.4
148.97316	1.2
149.01768	1.6
149.02859	0.8
149.06581	3.2
149.97183	5.7
154.08612	1.2
155.09256	3.3
155.11812	3.4
159.04364	3.0
162.23727	0.8
172.11914	4.1
173.06607	1.1
191.07558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.09412	2.1
53.03868	3.3
54.82191	2.5
55.01799	2.8
55.05445	4.7
55.43779	2.2
56.96484	4.8
65.33176	2.4
67.05423	18.6
71.06351	2.2
72.93703	11.1
78.27267	2.4
79.05402	16.8
81.06979	11.3
83.04971	2.5
86.09627	32.6
90.94741	3.6
91.05402	49.6
92.64407	2.7
93.06984	5.7
95.04903	5.2
105.06981	37.0
109.06456	2.6
109.10101	3.1
116.06187	12.6
117.06951	19.0
119.08540	28.7
128.06203	15.7
128.10686	3.8
129.06978	51.5
130.07736	11.2
131.08545	75.1
133.10078	6.1
143.08540	100.0
144.09308	15.4
145.06421	10.1
145.10104	33.7
150.96857	4.5
157.10094	3.6
158.10886	57.4
167.97130	2.7
173.09572	6.1
173.11748	4.3
173.13217	82.6
177.97581	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	174.1277
Annotation	1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
Peak:m/z	Relative Intensity
50.61229	0.9
51.92652	0.8
53.03083	0.7
53.03876	0.8
56.96488	2.4
57.03365	1.5
57.07002	1.2
57.16008	0.9
65.95296	0.8
70.06488	5.3
74.93050	1.8
79.05408	0.9
81.06961	1.2
82.06467	1.3
83.59605	0.8
84.06921	1.0
84.07387	1.0
86.05979	1.2
86.09605	1.0
91.05379	5.7
97.02827	1.5
106.06486	7.3
114.05451	1.2
117.05689	5.1
118.05666	1.0
118.06496	23.8
128.06967	1.5
130.06482	6.6
131.07236	3.6
132.08051	47.8
142.07710	1.4
144.08057	19.5
145.08849	12.1
146.08151	1.2
146.09569	1.8
158.09621	10.1
159.10382	18.5
164.98578	1.0
174.07660	1.5
174.09056	1.7
174.12738	100.0
175.13121	1.5
189.82741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	0.7
55.05466	0.6
56.96498	0.6
57.03366	0.8
57.07014	28.6
58.06521	3.5
60.05568	1.3
62.05720	0.8
62.06018	14.6
62.74728	0.5
64.33665	0.5
69.03342	0.8
69.06993	0.6
70.06516	5.0
70.80297	0.5
71.08190	0.8
71.08547	18.1
85.02827	1.3
85.74683	0.5
89.51715	0.5
97.02830	1.2
123.75608	0.5
133.10025	0.6
156.17459	15.9
174.07518	1.1
174.18501	100.0
175.11925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	L-Arginine
Peak:m/z	Relative Intensity
54.25178	0.1
54.51291	0.1
60.05582	30.1
70.06512	100.0
71.04907	2.0
71.06835	0.7
72.08070	3.6
74.02374	0.1
74.30434	0.1
84.08077	0.8
87.34657	0.1
88.07559	0.6
94.46329	0.1
97.07597	0.3
98.05982	0.5
112.08685	3.6
113.07076	0.2
114.10252	0.6
114.11057	0.1
115.08638	0.7
116.07046	21.8
122.77818	0.1
130.09731	9.9
141.06593	0.2
148.52284	0.2
157.10869	0.9
158.09227	5.8
158.10527	0.2
175.11876	21.2
176.12146	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	175.1189
Annotation	L-Arginine
Peak:m/z	Relative Intensity
54.81318	0.4
60.05581	25.5
60.72735	0.4
70.06512	100.0
71.04908	1.0
72.08080	4.0
92.10840	0.7
97.07587	0.8
112.08699	3.0
115.08632	0.7
116.07040	16.7
130.09732	8.1
132.02080	6.2
157.11076	0.5
158.09264	4.4
175.11867	16.7
176.01021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
52.31308	0.6
53.00222	0.8
55.05214	0.9
55.05450	12.2
56.96496	1.4
57.06996	1.7
60.05584	7.9
66.38435	0.7
67.05428	2.9
69.06985	29.8
70.06137	1.6
70.06506	31.5
79.05400	4.6
79.35030	0.8
81.06980	6.8
83.08540	5.7
91.05395	16.5
92.10218	1.2
93.06994	6.3
95.08528	10.0
98.06032	1.0
98.97501	2.0
99.95580	0.8
105.06969	37.5
107.08521	8.3
112.07546	1.3
115.05385	1.3
116.07028	5.1
116.98571	2.0
117.06952	6.3
119.08533	100.0
121.10089	3.5
130.06508	1.3
130.09709	1.8
131.08511	6.7
131.09996	0.8
132.09326	1.1
133.10091	86.5
134.99593	4.0
138.56429	0.8
145.10078	13.4
146.10857	1.7
147.11656	10.7
160.12440	4.4
164.43460	0.9
173.13217	4.0
175.08751	1.6
175.11858	5.8
175.14775	98.1
176.15215	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
50.85439	0.8
54.81480	1.1
55.05452	11.6
60.05561	5.9
67.05415	1.6
69.06989	27.8
70.06508	28.8
74.53871	0.9
79.05391	4.0
81.06983	9.6
81.07375	1.1
83.08529	7.6
91.05404	15.7
93.06966	6.0
95.08526	10.2
98.97517	1.1
103.05357	1.3
105.06974	31.8
107.08546	8.4
112.08654	1.4
116.07047	5.4
116.70927	1.0
116.98583	2.2
117.06953	6.4
118.07768	1.2
119.08537	100.0
121.10104	2.1
126.00912	1.2
130.09657	1.0
131.08514	6.1
133.10095	81.1
145.10101	12.7
147.11691	15.1
160.12361	3.6
173.13220	1.1
175.11850	2.1
175.14787	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.00255	0.6
53.03856	0.7
55.05454	10.3
57.06987	0.9
57.12305	0.8
60.05573	0.8
66.02434	0.7
67.05440	1.8
69.06990	27.6
70.06503	3.4
79.05392	4.3
81.06975	5.5
83.08521	3.9
83.23177	0.7
84.71281	0.7
91.05408	11.1
93.06980	6.3
95.04918	0.9
95.08530	6.3
101.52864	0.8
103.05378	1.1
105.06976	30.4
107.08533	5.8
113.39232	0.8
114.21363	0.7
117.06950	4.5
118.07723	0.9
119.08540	100.0
120.09216	0.7
121.10083	4.0
131.08572	6.2
133.10101	76.5
134.96170	0.8
145.10089	9.9
146.10880	1.9
147.11694	12.1
160.12445	6.1
173.13200	1.5
175.14786	86.7
189.48595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05456	14.1
55.15969	0.8
56.96505	1.0
57.06999	6.0
58.07353	1.3
60.05581	9.2
62.06026	1.5
67.05429	1.3
69.03343	1.4
69.06992	29.2
70.06512	27.7
71.08543	2.2
72.08043	1.6
79.05397	4.5
81.06969	5.4
83.08532	5.0
91.05416	15.4
92.10242	1.0
93.06961	5.0
95.08526	6.8
98.97515	1.6
105.06975	25.7
107.08517	5.8
116.07022	6.4
117.06956	5.3
119.08543	100.0
120.17940	1.0
121.10079	4.2
126.86390	1.1
130.06499	1.5
130.09708	2.2
131.08524	6.0
133.10100	75.8
134.99574	1.3
145.10097	9.5
147.11671	11.2
158.09322	1.4
160.12405	4.4
173.13242	1.3
174.18501	5.8
175.11838	4.7
175.14787	76.9
175.18834	10.8
177.55109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85721	2.6
54.82262	2.6
55.30644	2.1
55.56250	2.7
60.05576	17.8
61.58612	2.8
61.65457	2.9
66.23950	2.3
70.06513	58.8
71.06846	17.1
115.18745	2.8
116.07073	10.7
117.07406	3.9
130.09680	4.2
132.02075	100.0
175.11908	4.6
176.01013	19.8
176.12175	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	177.007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81588	0.8
56.96498	21.3
59.24517	0.8
60.28142	0.7
64.33216	0.8
71.95171	1.6
74.08911	0.8
75.44183	0.8
76.92747	0.9
98.97517	90.3
99.97862	1.6
107.96335	0.9
114.37197	1.0
116.98570	100.0
117.98882	1.6
134.99626	77.6
136.00032	1.4
136.69183	0.9
153.00691	18.8
158.01192	1.5
177.00658	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.54144	0.7
54.81344	0.7
56.96494	1.8
57.33417	0.9
63.02320	1.5
78.04632	4.3
79.05424	0.8
81.03359	2.7
88.48805	0.9
89.03838	67.2
91.05416	6.3
92.79741	0.9
95.04913	2.1
98.97529	6.9
103.05363	1.4
106.04122	5.1
112.46303	1.0
114.64552	0.9
116.98575	5.7
117.03328	100.0
117.06975	4.6
118.03641	1.1
124.05185	0.9
127.80949	1.0
131.08588	1.4
134.03593	11.6
134.99617	6.1
135.04387	8.8
145.02826	93.4
146.03127	1.4
149.05963	27.9
153.00716	1.4
162.60730	1.0
167.54979	1.0
169.81821	0.9
177.05428	26.9
177.48955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
55.05443	1.4
60.86844	1.1
67.05440	2.3
79.05379	3.1
91.05411	26.2
92.10873	1.4
93.06960	8.1
103.05412	1.4
105.06971	21.1
107.08527	2.9
109.10098	6.4
117.06955	6.7
119.08538	77.4
121.06423	1.3
121.10073	3.0
122.07224	8.2
128.06152	2.6
129.06929	2.1
131.08501	5.8
132.07927	1.2
133.06419	2.5
133.10098	29.0
134.10872	12.8
135.08052	18.9
136.08728	1.3
137.09593	63.8
144.09398	2.5
147.08057	1.3
147.09155	5.9
149.09598	6.7
149.13213	20.1
159.11606	1.5
161.09575	22.7
162.10342	2.0
177.12715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71582	2.2
60.05586	4.1
62.09930	1.9
62.62395	2.2
65.02331	2.4
70.06497	4.2
71.06852	2.9
72.07148	2.6
92.10310	3.2
99.48710	2.2
118.08615	4.5
132.02058	3.0
134.01891	100.0
134.02644	3.9
145.16235	2.7
176.73807	3.3
178.00818	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	181.0493
Annotation	Aspirin
Peak:m/z	Relative Intensity
52.04493	0.5
53.03874	1.2
53.89230	0.5
54.04651	0.5
55.01807	0.6
55.05453	0.5
56.96500	23.7
59.23774	0.5
64.05499	0.5
65.03865	14.0
67.05434	5.3
69.03341	0.8
71.95164	2.8
79.05407	3.7
81.03325	2.8
82.04119	8.6
82.36990	0.7
84.53016	0.5
85.02823	11.0
91.05395	0.8
93.03320	2.5
93.06978	2.3
95.04894	3.5
97.06467	3.6
98.97513	93.4
108.02018	3.2
110.03604	6.9
111.04403	3.7
116.98568	100.0
121.10066	1.4
121.96609	2.4
123.00725	3.5
125.05937	2.8
126.47648	0.6
128.03000	1.3
134.99623	84.1
135.04428	0.7
135.07964	0.6
137.02342	0.9
138.03084	4.2
140.00125	2.3
142.02579	1.0
149.03578	0.6
153.00677	19.4
158.01242	5.3
163.03894	7.2
171.06482	7.9
181.04918	33.3
183.75133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0811
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
55.60197	0.4
56.96483	0.9
57.86639	0.5
70.06506	0.5
71.56061	0.5
72.68238	0.6
77.03850	0.6
78.95185	0.8
86.09648	1.0
87.25144	0.6
91.05406	60.3
93.06963	0.9
95.04896	23.3
103.05389	1.0
107.04934	2.3
109.06474	2.6
118.06470	3.0
119.01884	1.2
119.04898	60.8
119.97805	0.9
121.06446	0.8
122.94180	1.3
123.04385	66.0
129.88483	0.7
136.07553	100.0
137.07852	0.6
142.03487	1.1
142.24228	0.6
147.04384	16.1
165.05435	25.5
165.06767	1.1
176.69040	0.5
182.08095	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	182.1539
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.05439	14.0
56.96475	4.2
58.02895	53.4
59.75026	3.4
67.05420	31.3
69.06651	5.3
69.06988	96.1
79.05396	8.3
81.06983	24.9
83.08537	5.7
84.08077	8.1
91.05411	4.0
93.06958	20.0
94.06563	3.9
95.04871	4.0
95.08532	5.5
98.97498	23.2
99.97868	4.9
100.07535	6.0
105.06946	16.9
107.08548	19.2
109.10113	59.4
114.09105	6.7
114.46603	4.0
116.98567	15.2
117.98896	14.4
123.11685	4.2
125.60593	3.5
126.09112	8.3
133.10098	31.1
134.99635	14.0
135.11644	26.2
138.12738	36.8
147.11670	3.9
151.11208	7.2
153.12697	18.0
172.21362	3.6
182.15347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	1.4
55.01810	2.6
57.03363	7.8
58.99776	1.1
61.02840	5.5
69.03343	11.4
73.02811	7.8
77.00796	1.2
79.24641	1.0
81.03362	3.5
85.02822	9.4
88.02628	1.2
93.70100	0.9
94.23486	1.0
97.02821	6.9
101.00777	12.4
102.02294	2.3
109.02819	1.6
111.02865	2.5
119.01870	100.0
120.02015	1.2
127.03835	1.4
131.01877	17.0
133.03438	2.5
137.02928	48.2
142.03477	35.2
143.01865	9.0
145.03413	5.2
149.02881	2.6
155.01836	4.5
157.03415	5.5
160.04506	18.7
161.02907	17.6
162.02959	1.8
163.04416	1.8
167.01764	1.0
173.02939	15.6
174.03001	1.6
179.03987	4.7
184.04559	1.9
185.02933	7.3
203.03978	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	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96492	0.5
57.03361	0.4
60.04916	0.3
61.88528	0.3
65.92548	3.0
68.79700	0.3
70.06511	1.5
72.08063	0.6
78.47457	0.3
80.94884	5.9
83.93614	0.4
84.36752	0.3
85.02824	0.5
85.57809	0.4
86.09631	2.4
101.00821	9.1
102.00919	0.3
110.07111	2.2
119.01878	100.0
120.01969	3.5
121.97525	4.4
124.93848	4.0
124.99964	1.6
137.02936	54.5
138.03041	2.7
142.03484	11.9
142.94942	2.1
143.03622	2.4
156.07651	0.7
160.04530	6.3
160.95969	4.1
161.02945	4.3
161.04691	1.5
165.96555	1.6
179.03964	9.0
183.97574	3.1
184.07385	0.6
184.09496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0604
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
65.03863	3.2
65.45654	0.4
65.92551	0.5
70.06505	1.3
72.08061	0.6
78.16693	0.5
80.94889	2.9
86.09624	3.5
92.04912	3.6
101.00799	8.4
104.10712	0.6
104.19047	0.5
109.14851	0.5
110.05995	0.9
110.07113	6.3
119.01870	95.5
120.01982	4.1
120.04418	3.3
121.97547	0.8
122.02252	0.5
124.03942	0.8
124.93810	0.7
124.99955	1.1
137.02927	54.4
138.03117	0.8
138.05460	8.1
142.03471	13.7
143.03662	2.2
148.03905	100.0
156.07550	1.0
160.04553	6.5
161.02913	5.3
166.04953	82.6
168.11223	0.5
179.03964	9.9
179.29109	0.5
181.34062	0.6
183.97583	1.2
184.05978	10.8
184.07289	1.2
196.17404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1172
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.00253	2.5
55.01805	2.5
55.05437	3.9
55.06923	1.4
56.96491	4.2
57.03362	2.2
58.11420	1.5
59.04927	9.9
60.95771	3.1
67.05417	8.5
67.73974	1.6
69.06986	9.0
71.04552	3.1
71.04912	69.3
79.05411	20.7
81.06979	46.0
81.56561	1.8
83.04881	2.7
91.05410	3.5
93.06964	19.7
95.04898	2.6
95.08548	15.4
97.06466	20.2
97.10165	1.9
102.96797	8.6
105.06973	8.9
107.05979	2.4
107.08517	15.0
113.05946	2.1
120.97838	13.3
121.07668	2.4
121.10098	100.0
123.08020	2.9
123.11670	18.7
125.05953	21.5
125.09583	3.2
130.06491	15.5
137.02866	2.1
138.98901	11.2
139.01785	9.3
139.11153	40.0
140.14426	5.9
144.03288	1.7
145.02847	2.0
149.09583	9.7
156.99876	2.0
163.01790	2.4
167.10657	17.4
181.02824	4.3
185.11778	13.0
186.14809	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	186.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	3.1
55.05437	2.6
56.96503	3.6
57.07016	100.0
63.16919	2.0
64.33675	2.3
68.49145	1.9
68.67886	1.9
71.08548	47.2
78.48418	2.5
83.80443	2.3
84.04430	3.4
85.02834	2.3
85.10101	13.5
102.96781	2.0
114.05390	2.7
137.98381	3.8
151.70612	2.3
186.22141	42.9
199.54704	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06394	14.2
56.04963	15.1
56.07942	15.1
56.96490	16.3
57.87349	15.4
64.33598	18.3
81.29527	16.5
82.02864	22.8
84.04410	21.7
84.08071	20.0
86.09623	100.0
92.10890	32.3
98.06004	16.4
132.10205	22.4
143.11827	23.9
148.56210	17.9
188.06769	80.7
203.35414	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
52.56870	0.6
54.81659	0.7
55.80714	0.7
76.55966	0.8
76.76399	0.8
80.12522	0.8
80.46886	0.7
86.62943	0.7
90.22615	0.8
91.05417	8.3
95.22039	0.7
109.89570	0.8
112.15537	0.9
115.05424	11.4
117.05701	1.7
117.06968	5.9
118.06494	100.0
121.81319	0.8
136.85390	0.8
142.06508	8.8
143.07285	22.9
144.04477	1.1
144.08061	23.5
146.05989	82.4
148.29785	0.8
162.14697	0.8
170.05986	8.1
188.07042	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	188.1645
Annotation	L-2-aminodecanoate
Peak:m/z	Relative Intensity
53.68576	0.3
55.05453	10.0
56.04968	0.4
56.96486	0.3
57.07019	3.9
60.55252	0.3
64.43107	0.3
67.05426	0.5
69.06990	23.3
83.08540	15.2
84.04427	0.5
84.08069	0.5
103.76327	0.4
118.06512	0.6
142.15894	100.0
143.16243	1.4
146.06017	0.5
188.16397	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51204	0.1
52.32396	0.1
55.01805	0.2
55.05443	0.2
56.96500	1.2
57.03365	0.5
58.06534	1.5
60.95766	0.2
64.33276	0.1
69.00827	1.0
69.03333	0.1
70.06500	0.2
72.08069	0.9
79.05428	0.1
80.76401	0.1
80.98912	0.1
81.06984	0.2
84.04425	0.2
84.08059	1.2
85.02819	0.7
86.03477	4.5
86.09630	0.2
87.00758	0.1
88.02163	0.1
91.05399	0.6
93.06944	0.1
95.04890	0.2
96.20061	0.1
103.05401	0.5
105.06969	0.2
106.96523	0.1
107.04894	0.2
107.08521	0.2
115.05383	0.6
116.98528	0.1
117.06954	1.2
118.06495	1.1
119.06800	0.1
124.97572	0.2
125.09514	0.1
126.09133	0.5
128.04933	0.6
128.06158	0.6
129.05695	0.2
129.06943	0.5
130.04990	0.2
130.06421	0.4
132.08095	0.2
142.06459	0.1
142.98636	0.3
143.07275	2.0
143.08499	0.4
144.08060	100.0
145.06438	0.7
145.08357	1.0
146.05978	0.5
147.06319	0.1
154.06488	0.1
155.06071	0.3
160.07562	1.2
160.99762	0.1
164.06999	1.0
170.97609	0.1
171.09117	0.1
172.07529	8.9
189.10399	0.2
190.08549	0.2
204.87315	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	189.1232
Annotation	Ile Gly
Peak:m/z	Relative Intensity
56.96491	0.4
58.06540	0.4
69.06984	16.1
70.06505	1.9
72.08070	0.4
74.07099	0.5
81.48273	0.3
83.03828	0.3
84.08057	0.6
86.09623	100.0
98.97515	1.4
116.98558	1.5
134.99718	0.5
180.44183	0.4
189.12323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23403	1.6
63.24695	1.5
67.05421	2.3
69.03353	3.4
79.02080	1.6
79.05379	2.2
81.06967	2.6
84.08012	2.3
91.05406	19.3
91.11372	2.0
92.10207	2.4
105.06991	27.7
111.12312	1.9
112.81746	1.7
112.88455	1.7
115.05402	2.9
117.06972	10.1
119.08540	33.8
119.20227	1.9
126.09079	1.8
128.06155	9.2
129.06920	8.9
130.07719	11.0
131.08510	11.6
133.10074	9.1
141.06941	25.1
143.08542	11.5
144.09311	2.6
145.10094	36.6
147.08034	10.1
147.11678	19.1
149.27354	1.9
155.08507	7.7
156.09320	100.0
159.07979	11.2
159.11635	16.3
161.09601	3.6
171.11650	75.7
174.10379	11.2
189.12703	93.2
189.14409	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94212	1.6
51.64350	1.7
55.05445	2.1
55.76805	1.9
62.62744	2.2
62.81126	1.8
67.08671	1.9
69.03330	3.2
69.96913	1.9
79.05383	4.8
85.88789	2.0
86.93104	2.1
91.05404	16.9
91.21444	2.1
92.10252	3.0
95.04897	3.6
105.06971	33.7
117.06954	11.0
119.08540	45.7
128.06172	4.1
129.06973	3.9
130.07764	11.2
131.08539	12.5
133.06479	5.2
133.10124	11.5
141.06981	21.6
143.08542	10.4
144.09369	3.6
145.10091	35.7
147.08049	10.4
147.11668	33.9
155.08545	3.2
156.09320	100.0
159.07982	12.4
159.11723	16.1
171.11653	77.8
174.10344	10.8
189.12700	97.8
193.41957	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88212	1.4
55.05455	2.4
67.05414	2.4
69.03344	3.1
69.14474	1.8
77.73120	1.8
79.05419	6.7
84.08064	2.9
91.05402	25.1
92.63146	1.9
95.04865	2.3
105.06976	27.6
107.08540	3.5
110.97649	1.7
115.05421	2.7
117.06963	9.8
119.08541	30.4
123.21500	2.0
128.06161	7.6
129.06935	9.7
130.07751	8.0
131.08504	10.0
133.06374	4.2
133.10080	7.4
141.06985	24.8
143.08507	9.2
144.09303	3.0
145.10095	30.9
147.08012	11.6
147.11665	24.9
155.08459	3.8
156.09314	91.1
159.08022	9.8
159.11705	14.4
161.09599	10.4
171.11670	73.4
174.10345	10.7
189.09052	3.0
189.12711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	5.0
56.96489	5.2
67.41788	2.5
68.10077	2.6
69.03355	6.7
70.06519	3.1
79.05386	4.7
84.04420	4.9
84.08061	33.3
90.01723	3.4
91.05401	18.6
93.06951	3.2
94.78450	2.9
99.30879	2.7
105.06984	34.1
107.08530	4.8
116.06159	2.7
117.06970	13.7
119.08541	36.5
126.09107	6.1
128.06134	5.6
129.06999	10.4
130.07729	13.9
131.08504	18.7
132.09258	3.9
133.06441	4.6
133.10083	5.6
141.06958	19.7
142.98608	4.0
143.08514	13.9
144.08118	3.4
145.10115	34.4
147.08087	5.2
147.11693	38.8
153.06853	2.9
155.08519	4.8
156.09334	88.1
159.07993	11.9
159.11644	14.5
161.09598	3.1
171.11646	76.4
174.10394	9.9
180.32021	2.8
187.06529	2.7
189.12695	100.0
195.20869	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	189.1346
Annotation	L-NMMA
Peak:m/z	Relative Intensity
57.04496	8.4
70.06507	100.0
71.04902	2.2
72.08076	7.1
74.06689	0.9
74.07112	23.0
84.08047	5.4
86.09624	2.1
88.07565	2.8
89.37189	0.5
104.41497	0.5
112.08673	1.9
115.08648	4.4
116.07040	27.7
116.36812	0.6
126.10178	0.6
129.15021	0.6
130.08621	0.7
133.09653	1.1
144.11308	12.6
153.61288	0.6
158.09213	3.6
172.10780	3.3
189.13435	22.3
189.15977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1065
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
52.44744	1.3
53.03880	1.2
53.08229	1.5
55.01806	2.6
55.05447	5.5
56.96502	1.8
57.03364	1.7
60.34230	1.2
67.05092	1.3
67.05425	9.1
68.72258	1.2
69.03340	9.9
69.06980	5.6
71.04932	1.3
75.72132	1.4
79.05404	22.5
81.06973	3.1
82.65076	1.3
83.04906	2.4
89.93871	1.3
90.68842	1.2
91.05402	55.7
93.06956	11.5
95.04890	5.6
95.08543	3.2
103.05412	8.2
105.06264	2.5
105.06974	66.9
107.04923	8.7
107.08527	24.4
107.09207	1.9
109.06467	5.6
110.07124	1.7
114.69108	1.4
115.05389	2.8
116.06193	5.8
117.06944	25.7
119.08536	85.8
121.06444	7.7
121.10123	11.5
123.07992	3.0
128.06149	1.9
129.06966	14.1
130.07773	5.2
131.08530	100.0
132.09332	3.4
133.10109	6.8
135.08035	10.0
143.08557	6.8
145.06453	5.6
145.10101	43.4
147.08026	8.1
147.11647	25.2
149.09592	14.3
155.08542	2.9
157.27002	1.3
158.10924	1.5
163.07489	10.3
163.11157	6.3
173.09563	16.8
173.13217	7.8
191.10623	38.6
191.14220	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	191.1065
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
52.44744	1.3
53.03880	1.2
53.08229	1.5
55.01806	2.6
55.05447	5.5
56.96502	1.8
57.03364	1.7
60.34230	1.2
67.05092	1.3
67.05425	9.1
68.72258	1.2
69.03340	9.9
69.06980	5.6
71.04932	1.3
75.72132	1.4
79.05404	22.5
81.06973	3.1
82.65076	1.3
83.04906	2.4
89.93871	1.3
90.68842	1.2
91.05402	55.7
93.06956	11.5
95.04890	5.6
95.08543	3.2
103.05412	8.2
105.06264	2.5
105.06974	66.9
107.04923	8.7
107.08527	24.4
107.09207	1.9
109.06467	5.6
110.07124	1.7
114.69108	1.4
115.05389	2.8
116.06193	5.8
117.06944	25.7
119.08536	85.8
121.06444	7.7
121.10123	11.5
123.07992	3.0
128.06149	1.9
129.06966	14.1
130.07773	5.2
131.08530	100.0
132.09332	3.4
133.10109	6.8
135.08035	10.0
143.08557	6.8
145.06453	5.6
145.10101	43.4
147.08026	8.1
147.11647	25.2
149.09592	14.3
155.08542	2.9
157.27002	1.3
158.10924	1.5
163.07489	10.3
163.11157	6.3
173.09563	16.8
173.13217	7.8
191.10623	38.6
191.14220	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	0.5
53.03879	1.8
55.01801	0.7
55.05186	0.4
55.05449	8.2
56.96476	0.4
57.03371	0.4
57.06994	1.0
59.04918	0.5
65.03861	0.8
67.05416	5.1
69.03343	12.0
69.06985	6.7
71.04903	0.6
72.93715	0.3
79.05399	13.3
81.06969	4.3
83.04888	2.0
83.08536	0.5
85.06446	0.5
86.09635	2.1
91.05400	34.7
93.06962	9.6
95.04895	4.0
95.08538	5.4
97.06452	2.2
103.05391	3.9
104.06215	0.7
105.06969	69.1
107.04906	3.3
107.08526	20.0
109.06467	5.6
109.10104	0.6
110.07114	4.1
111.08015	0.9
115.05361	2.7
116.06166	3.4
117.06162	0.7
117.06964	16.3
119.08529	100.0
121.06428	4.5
121.10091	7.3
123.08014	2.5
128.06178	1.6
129.06938	5.5
130.07747	3.9
131.08525	35.5
131.16972	0.4
132.09334	4.1
133.10098	5.8
135.04373	0.5
135.08006	7.7
135.11655	2.2
141.09065	0.5
143.08521	5.1
144.09276	0.9
145.06445	2.0
145.10086	18.7
146.05962	0.8
147.08028	2.6
147.11661	28.8
149.09593	9.0
149.13245	2.8
150.10384	0.6
155.08502	0.8
158.10876	3.7
161.09541	0.7
163.07498	3.1
163.11156	2.0
163.14856	0.5
173.09558	4.0
173.13205	7.5
191.10622	10.5
191.14265	16.7
194.45030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93693	0.6
53.00263	0.6
53.03873	0.8
55.05453	9.6
65.30032	0.5
67.05425	4.4
69.03352	11.9
69.06991	7.7
79.05408	10.8
81.06971	3.4
83.04903	1.4
83.08544	0.7
85.06445	0.7
91.05400	31.3
93.06951	8.2
95.04881	2.9
95.08521	4.6
95.95973	0.6
97.06463	1.4
103.05398	5.6
104.06235	0.8
105.06967	66.0
107.04893	1.0
107.08534	20.0
109.06474	3.7
111.08023	0.7
115.05422	2.3
116.06170	2.4
117.06953	14.6
119.08529	100.0
121.06457	2.8
121.10099	4.5
123.08038	1.3
128.06157	0.6
129.06937	4.3
130.07748	3.1
131.05006	0.6
131.08527	30.4
132.09305	2.8
133.10066	10.2
135.08025	7.7
135.11632	0.7
143.08507	4.7
144.09302	1.0
145.10092	17.3
146.05983	1.0
147.11658	26.6
149.09529	6.0
149.13260	2.8
158.10869	3.6
163.11194	0.6
173.13216	8.5
191.10687	4.0
191.14259	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.50111	1.5
51.61035	1.4
54.22421	1.7
55.01796	2.7
55.05452	15.8
56.05906	1.5
56.96492	3.5
57.07007	7.5
64.82436	1.9
67.05463	5.3
69.03345	34.3
69.06994	21.1
79.05406	13.0
81.06973	4.0
83.04900	38.1
83.08514	2.8
84.47720	1.6
85.06493	2.0
85.76052	1.7
91.05406	23.5
93.06966	18.5
95.04881	4.1
95.08514	16.2
97.06456	3.6
105.06956	24.4
107.08540	62.8
109.06453	11.1
109.10126	2.5
115.05412	1.8
117.06962	7.8
119.08552	24.1
121.06435	19.4
121.10085	25.8
123.08049	4.6
129.06929	4.1
130.07777	2.6
131.08545	22.8
133.10123	22.9
135.08031	35.1
135.11684	7.0
136.08797	7.4
143.08510	15.2
144.09329	2.9
145.10107	12.9
146.05997	4.0
147.08058	3.8
147.11649	9.8
149.09595	11.4
149.13271	8.8
158.10889	20.5
161.09573	25.0
173.13226	20.7
176.11958	9.1
191.14281	100.0
198.79587	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03884	0.6
54.21402	0.5
55.01817	4.7
55.05445	0.7
55.47263	0.4
56.96494	1.2
60.49594	0.4
64.34103	0.4
65.03857	2.5
67.05418	0.9
68.05733	0.4
76.02127	0.7
79.05408	16.2
81.03353	0.7
83.44692	0.5
84.30441	0.4
89.03824	0.6
90.04622	0.8
91.05396	7.8
93.06961	0.6
95.04893	5.6
102.04644	0.5
103.05396	16.9
105.06971	100.0
107.04868	0.9
115.05401	24.1
118.04103	13.6
118.04885	0.8
119.08517	2.9
131.04848	4.7
133.06451	68.9
133.10078	7.4
138.82617	0.6
139.03839	0.5
143.04953	1.0
143.06024	5.0
147.04434	0.6
147.06262	0.7
147.11652	1.1
149.02301	3.5
149.03404	0.8
161.05939	47.8
175.14809	1.0
193.04919	2.9
193.08516	4.4
193.12042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(4S)-Shinanolone
Peak:m/z	Relative Intensity
50.99591	0.5
55.01802	0.7
56.96505	0.9
68.62011	0.6
79.05389	0.8
80.93126	0.6
91.05410	22.2
92.10813	1.0
93.07005	0.9
95.08595	0.7
105.06948	1.1
107.04903	12.2
107.08532	1.6
112.61127	0.7
117.06954	4.6
119.08543	34.5
123.08006	3.6
128.06178	2.5
129.06950	4.9
132.05672	13.4
133.10097	2.6
135.11632	3.5
145.06494	2.6
146.99582	1.1
147.08029	100.0
165.09071	5.4
175.07515	76.4
175.14790	0.9
193.08569	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	193.1225
Annotation	Cuminyl acetate
Peak:m/z	Relative Intensity
55.05445	6.3
55.37094	1.4
56.96490	8.1
67.05430	24.0
69.06983	3.0
71.04910	8.2
79.05420	28.4
80.41740	1.4
81.06985	19.8
81.44708	1.3
83.04873	7.3
87.04401	1.5
91.05414	92.3
93.06981	17.7
95.04902	3.0
99.29923	1.7
105.06980	51.4
107.08512	6.7
109.06458	3.1
117.06998	2.4
119.08540	17.4
121.10069	2.7
125.05972	3.5
129.06888	2.4
131.08533	15.9
133.06447	10.8
133.10101	100.0
147.07979	3.6
147.11673	20.8
149.09586	16.0
151.11171	3.2
157.10153	1.7
166.95918	1.8
175.11134	14.8
193.12202	15.3
196.50258	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Cuminyl acetate
Peak:m/z	Relative Intensity
50.85363	0.5
51.61627	0.4
53.03893	0.5
55.05457	7.5
56.96495	3.5
59.03221	0.5
65.03862	0.8
67.05434	6.9
69.06989	1.0
71.04884	0.5
76.02139	1.0
79.05411	9.5
81.03334	0.9
81.06994	4.0
83.04905	3.5
83.08510	0.6
85.58146	0.5
88.36357	0.5
88.44926	0.5
88.79513	0.5
91.05412	43.5
93.06998	5.1
95.04906	2.8
103.05433	0.9
105.06979	47.6
107.08552	0.6
109.06419	0.6
109.10120	0.6
117.06974	0.6
118.92448	0.6
119.08541	6.9
125.05941	0.8
131.04866	0.6
131.08534	9.7
131.26280	0.5
133.02856	4.5
133.06476	4.1
133.10101	100.0
134.10419	1.1
147.11664	10.9
149.02255	3.9
151.11185	0.8
160.02847	1.4
161.05971	1.3
175.11128	3.6
175.14839	0.6
193.05019	0.9
193.12201	8.7
209.22263	0.6
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	(-)-gamma-ionone
Peak:m/z	Relative Intensity
51.69485	0.7
55.05453	7.7
57.07013	9.1
59.04925	1.3
67.05428	21.5
69.06991	13.1
76.02148	1.9
79.05416	6.8
81.06980	11.6
83.08535	4.1
85.06476	1.5
91.05401	17.2
92.64338	0.8
93.06980	15.8
95.04891	1.1
95.08535	47.2
103.05390	1.9
105.06979	27.5
107.08526	14.4
109.06500	1.1
109.10110	49.5
115.05402	1.3
117.06978	5.9
119.08537	86.5
120.48507	0.9
121.10106	7.3
123.08064	1.6
131.08566	4.7
133.06453	3.9
133.10101	97.7
134.10901	1.9
135.11678	14.1
137.09616	11.7
145.10121	9.3
146.07486	0.9
147.11667	22.7
149.13240	6.5
151.14752	8.5
160.12480	4.8
161.05931	3.0
173.13251	2.0
175.14790	100.0
193.15787	10.6
196.54117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03888	1.3
56.96510	0.7
63.02277	0.6
67.50594	0.5
69.03327	0.6
69.38483	0.6
70.78103	0.5
71.04896	2.3
78.04620	1.3
79.05403	2.7
81.02855	0.6
81.03340	21.7
85.02811	3.1
89.03844	38.5
91.05399	4.5
93.06958	0.7
95.04894	0.9
97.02831	0.8
99.04361	0.9
103.05396	3.2
106.04127	3.1
107.04895	0.8
109.02840	7.8
111.04306	0.6
117.03335	80.5
118.98847	0.6
121.06432	2.8
124.05190	1.3
125.06012	0.6
127.03856	1.2
131.04822	0.7
134.03600	14.1
135.04375	14.9
145.02834	100.0
146.03131	0.8
148.97293	0.6
149.05969	42.2
149.97182	0.6
153.05466	0.8
162.03122	2.7
163.03882	11.0
166.34219	0.6
167.62575	0.6
177.05444	88.1
178.05840	0.8
186.05542	1.1
195.11182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	5.7
55.01805	7.0
55.05451	12.1
56.79927	1.2
56.96500	22.7
57.03371	9.6
61.02849	1.9
67.05408	7.4
69.03344	8.7
69.06979	1.8
70.06498	1.5
71.04906	9.3
73.02818	1.5
79.05409	24.8
81.03334	56.5
81.06971	2.7
83.04902	3.1
84.08067	2.3
85.02829	9.1
89.03838	36.1
91.05408	15.3
93.06969	34.1
95.04882	6.0
97.02817	3.3
98.97515	8.1
99.04350	2.4
103.05383	1.9
105.06980	7.0
107.04897	14.4
107.08527	25.1
109.02825	23.3
109.06470	3.5
111.04390	2.4
111.08042	2.1
113.06075	1.6
115.04066	2.6
116.98554	6.8
117.03324	90.8
117.06956	17.1
119.01787	2.1
121.06430	14.6
121.10110	5.8
123.26182	1.7
125.05920	3.0
127.03909	1.6
131.08539	12.2
134.03587	14.4
134.99619	8.4
135.04369	16.4
135.08031	25.3
135.11667	1.5
145.02817	100.0
148.97302	3.4
149.01128	1.4
149.05948	41.5
149.09599	14.0
149.10744	8.8
153.05437	1.6
162.03120	1.8
163.03879	14.4
167.10640	1.5
177.05420	89.1
177.08920	2.8
177.10341	2.4
178.12192	1.7
186.05551	1.9
192.51315	1.5
195.06529	1.6
195.09923	16.0
195.11691	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	Isopygmaein
Peak:m/z	Relative Intensity
52.44168	0.3
53.03868	1.7
55.01799	1.5
55.05235	0.5
55.05450	8.3
56.96486	0.6
57.03365	0.8
59.04925	0.8
65.03854	1.5
67.05424	12.0
69.03342	0.5
69.06976	3.3
71.04887	1.6
71.95164	0.6
77.03825	0.3
79.04957	0.6
79.05402	17.9
81.03348	5.6
81.06508	0.6
81.06973	15.4
83.01254	6.7
83.04896	12.6
83.08534	1.4
83.93408	0.3
85.06457	0.4
85.65498	0.3
89.03826	0.5
91.04826	0.9
91.05400	24.1
93.06969	11.6
95.04876	5.0
95.08520	4.0
97.06444	1.4
103.05393	2.5
104.06165	1.9
105.04446	0.7
105.06969	8.3
105.36028	0.3
107.04890	1.5
107.08538	17.1
109.02860	0.6
109.06472	3.4
109.10101	3.3
111.04372	0.5
111.08036	0.7
115.05392	3.3
116.06227	0.5
117.03331	1.4
117.06968	9.0
118.07759	0.7
119.04959	0.4
119.06010	0.6
119.08530	5.4
121.06429	1.6
121.10086	0.8
123.07965	0.5
123.11697	0.5
124.08813	0.5
125.09633	0.5
129.06920	0.4
131.08516	2.0
133.02817	0.7
133.06459	4.0
133.10077	2.4
134.07230	1.9
135.04375	1.5
135.08031	9.3
135.11629	2.6
139.11137	4.4
145.02823	1.8
147.07986	4.4
149.05986	0.4
149.09567	2.4
149.13222	1.8
152.08315	0.5
159.11670	0.9
163.02605	0.4
163.03867	10.2
163.07472	9.3
167.10669	0.7
177.05399	1.5
177.07510	0.4
177.09061	15.5
195.10121	100.0
195.13837	2.1
196.10439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.02673	0.5
53.03875	2.4
55.01814	0.6
55.05462	4.7
56.96498	1.3
57.03368	0.7
57.06768	0.8
57.07016	13.2
58.93248	0.5
60.69420	0.6
61.02847	3.0
63.81662	0.5
67.05433	11.6
69.03339	1.5
69.06989	9.0
71.04900	3.1
71.95210	0.7
79.05412	100.0
81.03336	15.0
81.06973	10.6
83.04902	30.2
85.02819	1.4
89.03840	3.2
91.05411	11.8
93.06974	79.1
95.04912	7.1
95.08518	4.6
97.06466	12.7
99.04373	0.6
105.06956	4.1
107.04891	3.3
107.08542	23.2
109.02842	8.2
109.06448	1.2
111.08038	2.5
117.03313	4.0
121.06448	3.9
121.10118	2.6
125.05956	14.9
131.08557	0.7
133.10104	6.1
134.99637	0.8
135.11664	53.1
139.07524	7.4
145.02826	5.0
149.05939	2.6
149.13232	4.4
149.97198	1.1
153.09059	0.9
153.12706	3.6
163.03850	3.9
177.05469	4.6
177.12712	3.6
195.13786	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03882	3.2
55.05450	5.1
56.96491	0.6
57.07015	13.9
59.57485	0.6
61.02844	3.3
67.05424	8.0
69.06985	8.5
71.04885	0.9
76.55597	0.6
78.90752	0.6
79.05412	100.0
81.03355	8.0
81.03808	1.1
81.06977	8.0
83.04903	30.2
84.16076	0.5
89.03836	1.3
91.05407	15.4
93.06976	79.5
94.07335	0.7
95.04890	7.9
95.08527	3.9
97.06468	15.8
105.04473	2.4
105.06972	2.3
107.04911	6.6
107.08543	25.5
109.02815	2.5
109.06458	0.9
111.08028	1.2
117.03313	3.0
117.06974	1.0
121.06455	3.3
121.10119	1.4
125.05959	12.5
129.06975	0.5
131.08522	0.9
133.10100	5.1
135.08107	0.9
135.11662	53.7
139.07523	7.5
145.02843	2.8
149.02316	1.4
149.05968	0.9
149.13237	5.2
153.08960	0.6
153.12724	3.4
159.11653	1.0
163.37659	0.6
170.20816	0.7
175.10629	0.6
177.05450	2.9
177.12724	3.7
180.66568	0.7
195.02103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.32122	0.7
52.74815	0.7
53.03885	5.6
55.01828	1.2
55.05447	12.1
56.96500	0.9
57.03370	2.1
57.06805	0.8
57.07015	11.6
61.02847	1.8
67.05431	26.7
69.03336	1.1
69.06991	15.7
71.04907	1.6
78.64520	0.9
79.05413	100.0
81.03336	23.1
81.06976	36.0
83.04900	28.1
83.08526	4.6
85.02850	0.9
89.03867	3.8
91.05398	19.4
93.06975	78.1
95.04900	11.1
95.08536	13.0
97.06464	11.2
105.06982	6.3
107.04890	4.4
107.08537	26.9
109.02824	5.0
111.08025	1.6
117.03320	8.1
117.06999	3.7
121.06494	2.1
121.10094	4.1
125.05951	10.4
131.08513	1.9
133.10107	8.9
134.03616	1.2
135.08022	1.6
135.11667	46.7
139.07527	4.9
145.02773	9.2
145.52664	1.0
149.13246	6.3
153.12749	2.0
154.06256	2.4
159.11658	2.2
163.03790	1.7
164.15121	1.0
177.05394	6.9
177.12683	3.8
190.47902	1.2
195.13768	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03887	2.9
55.05436	4.5
55.98107	0.6
57.06730	0.8
57.07011	15.5
61.02851	1.5
62.05559	0.7
67.05428	7.6
69.06988	9.5
71.04868	0.9
71.61277	0.6
79.05412	100.0
81.03333	4.8
81.06979	10.0
83.04906	29.7
86.92516	0.8
88.90881	0.7
89.03831	0.8
91.05408	14.8
93.06976	84.2
95.04881	9.3
95.08501	4.4
97.06461	13.2
105.06979	3.9
107.04883	6.7
107.08546	27.1
109.02831	1.0
111.08038	1.0
117.03379	1.3
117.06959	1.4
121.06472	1.7
121.10100	1.5
125.05953	11.5
131.08542	1.0
133.10121	5.5
135.11667	54.5
139.07521	5.5
145.02798	1.0
148.32535	0.7
149.05994	1.0
149.09660	0.9
149.13245	6.6
153.12695	3.8
159.11667	1.0
177.12614	2.3
195.13792	1.9
206.64722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	ACETOSYRINGONE
Peak:m/z	Relative Intensity
53.13503	1.4
53.98924	1.5
55.05439	2.4
70.95780	28.5
72.93699	13.9
78.00221	1.6
81.06976	6.1
88.96825	13.6
90.94741	2.6
91.05403	7.3
92.10856	2.8
93.06956	2.9
94.06528	1.9
95.04881	8.4
95.88746	1.6
105.06983	6.6
105.89236	1.7
107.08537	2.8
109.06470	2.4
111.98425	16.5
113.96374	2.5
123.04369	2.7
124.59042	1.7
125.02304	2.2
129.00734	1.9
129.99475	20.5
132.95798	21.3
133.10109	3.8
135.11591	2.4
137.09581	2.1
140.04666	74.2
150.96867	100.0
155.07010	30.3
155.97394	13.1
161.09618	3.7
168.97850	3.3
173.08075	3.5
173.98460	31.0
179.10635	3.6
182.08302	6.6
197.08015	9.6
197.10510	2.5
197.85303	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.88392	0.8
53.03880	0.8
55.01805	0.7
55.05439	3.0
57.03339	1.0
59.04922	4.4
63.47980	0.6
65.03860	0.9
65.58477	0.7
66.58443	0.7
67.05425	6.4
68.96097	0.7
69.03327	1.1
69.06975	1.5
70.95780	3.9
72.93691	1.9
79.05415	8.1
81.06986	8.5
83.04903	0.9
91.05408	25.8
92.10281	0.8
93.06973	28.9
94.07767	1.2
95.04897	13.4
95.08523	3.2
105.06265	1.5
105.06979	47.0
107.08538	89.2
109.06461	8.6
109.10117	8.6
111.98404	1.3
113.05924	0.9
117.07001	0.9
118.07715	1.0
119.04862	3.6
119.08537	10.9
120.09254	1.2
121.06454	10.1
121.10101	1.8
123.04375	4.7
123.08012	1.2
123.11607	1.9
125.05923	1.0
128.06166	0.7
129.99504	1.3
131.08498	1.9
132.95798	4.3
133.10097	100.0
135.08000	1.4
135.11656	56.5
135.66382	0.7
137.05907	3.4
137.09596	6.7
143.08623	1.6
146.07263	1.9
150.96835	9.8
151.11165	7.3
157.59599	0.7
161.09583	36.8
173.98431	1.9
179.10635	97.3
197.11699	77.6
197.13556	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35205	0.2
54.81318	0.3
60.08097	20.8
68.04951	7.2
85.02814	0.5
92.10181	0.3
95.06020	100.0
96.06360	0.6
111.05510	1.9
113.67838	0.3
114.36340	0.4
119.01814	0.4
128.50099	0.3
139.00290	0.3
154.13370	14.3
163.37694	0.3
198.12358	5.3
198.18523	0.6
203.03963	0.4
219.01451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81266	0.6
60.08100	18.7
68.04951	6.0
86.73870	0.5
95.06019	100.0
96.06339	0.7
111.05525	1.2
116.84206	0.5
143.86627	0.6
154.13365	17.9
167.76920	0.6
176.91335	0.5
180.13693	0.5
198.12363	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	199.0599
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
53.03885	3.8
55.01804	1.7
55.05445	2.2
56.96498	2.0
57.07013	0.7
65.03862	5.1
67.05431	5.0
69.06989	1.0
74.09613	2.8
81.03320	0.5
83.08525	0.7
84.02767	0.5
84.48952	0.5
86.91525	0.5
93.03316	0.6
95.04896	35.8
97.02818	2.5
97.10147	0.5
98.97513	8.3
100.07551	0.5
105.04479	3.2
110.03615	2.4
111.04392	2.9
116.98570	11.3
118.54931	0.4
121.02802	2.6
123.04371	8.4
125.01404	0.8
125.02309	19.3
125.03213	0.8
128.23962	0.4
134.99635	10.3
137.02338	0.4
139.03853	0.5
140.04659	100.0
153.00684	3.5
155.07005	9.6
158.01241	0.6
167.03380	0.4
173.08058	1.8
181.04883	4.2
198.18491	13.0
199.05957	0.7
199.18872	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	199.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	3.1
53.03881	0.4
55.01804	0.8
55.05235	0.5
55.05449	5.1
56.96513	4.2
57.03376	0.5
57.07001	2.3
57.15952	0.4
57.93519	0.4
65.03832	0.7
67.05431	0.7
67.38203	0.5
69.03352	51.6
69.06989	4.9
69.86481	0.4
70.06512	0.4
71.04914	0.4
71.08534	0.8
72.04434	1.1
72.08033	0.4
74.09630	7.0
80.97350	0.4
81.06987	0.6
83.08559	3.3
86.06003	0.8
93.06990	0.8
95.04889	4.7
95.08554	0.7
97.02827	100.0
97.06477	0.6
97.10107	1.1
98.97520	14.7
100.07567	2.4
107.08552	0.6
110.09620	0.5
116.97182	2.3
116.98566	20.4
120.35582	0.4
123.04340	0.9
125.02329	3.3
126.88212	0.5
134.99628	21.8
139.03888	2.8
140.04665	12.5
148.03270	0.6
153.00667	7.3
157.04913	0.8
158.01273	2.8
163.03912	0.7
175.98486	0.6
176.02286	1.9
198.18515	31.0
199.18878	15.3
206.87521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	0.6
55.01807	0.4
55.05451	16.3
57.07003	1.0
57.93468	0.6
66.69634	0.4
67.05421	0.6
68.26910	0.5
69.06988	100.0
70.07316	0.6
71.04908	3.4
74.09624	2.1
83.08537	4.3
83.13960	0.4
92.10799	0.5
98.56512	0.5
98.97530	2.5
111.11669	28.5
116.97189	9.5
116.98577	3.1
129.64865	0.5
131.99519	0.8
134.99628	0.9
138.38322	0.4
140.04631	0.6
141.26825	0.5
152.96901	3.2
153.99245	0.5
157.09195	0.4
170.97934	0.8
175.98466	4.3
199.18932	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	199.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81457	0.4
55.05452	9.0
56.96493	2.9
62.75092	0.4
66.01701	0.4
69.03348	1.7
72.04430	15.8
74.09631	100.0
80.17321	0.4
83.08544	10.3
83.55602	0.4
92.13783	0.4
95.04893	1.8
97.02827	3.9
98.97511	8.9
100.07555	25.9
110.82904	0.4
115.15562	0.5
116.98572	11.9
117.10207	1.0
121.07600	0.5
123.04292	0.5
134.99626	12.6
140.04680	5.9
143.50668	0.4
153.00647	3.2
155.07030	0.5
199.17863	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	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03899	4.5
54.33265	2.7
55.01795	3.2
55.05454	14.1
56.96498	19.5
57.07009	7.5
57.29726	3.2
64.34133	3.3
67.05427	43.2
68.42127	3.3
68.83018	2.8
69.06979	20.2
72.02427	3.6
76.35973	3.0
79.05402	22.2
81.06986	36.2
82.07326	3.5
83.08533	4.0
91.05421	35.8
93.06982	29.1
95.04903	7.6
95.08541	38.4
96.29459	3.5
98.97519	20.7
99.97849	6.0
105.06972	91.9
107.08530	36.8
109.10128	17.3
116.98565	36.1
117.06977	34.4
117.98929	15.2
118.96712	13.7
119.08514	41.4
121.10090	18.8
129.06958	18.3
130.07750	18.9
131.08537	45.2
133.10069	32.5
134.99632	48.6
135.99980	25.4
136.99184	4.6
143.08542	22.2
144.09360	22.7
145.10100	100.0
146.10841	4.3
153.00685	15.7
154.01018	4.0
154.59102	6.6
157.10097	19.3
159.11649	69.4
171.11655	12.4
173.13260	14.2
177.98085	6.5
200.20128	3.9
201.16385	54.2
212.77728	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	202.2165
Annotation	DDAO
Peak:m/z	Relative Intensity
53.00238	0.7
57.07011	40.4
58.06526	3.9
60.45887	0.5
62.06015	17.9
71.08549	9.7
85.10088	4.6
86.24432	0.6
93.00186	0.6
96.08997	0.6
111.21320	0.6
130.08382	0.7
135.89301	0.6
137.02983	0.6
140.55470	0.7
184.20552	10.9
202.21625	100.0
203.14365	1.1
203.21967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	6.8
53.03883	3.7
55.01806	1.8
55.05455	81.1
56.96503	51.8
57.03360	2.4
62.92914	13.7
67.05425	7.4
69.03354	2.1
69.06987	9.2
70.06530	2.0
71.04910	3.4
71.95185	1.8
72.08097	2.5
73.02834	7.1
74.97507	2.0
79.05405	16.3
81.03348	2.0
81.06975	7.1
82.00472	1.6
83.04912	12.4
84.04446	12.0
84.95953	19.4
85.02825	7.4
91.05412	3.1
91.91598	1.4
93.06981	7.2
95.08527	2.2
97.02807	1.9
97.52013	6.9
97.96735	2.2
98.97514	100.0
99.04379	3.5
102.96845	7.0
103.95491	1.9
106.52560	1.6
107.08542	24.6
108.32423	1.6
109.02821	7.0
110.78417	1.5
111.02566	7.8
111.04373	3.0
115.97759	2.0
116.98566	86.8
119.01849	10.6
120.02029	8.2
120.03109	12.9
120.97894	8.1
121.10067	2.7
121.96598	65.5
125.05970	2.4
125.09548	2.2
128.02235	3.4
128.98558	7.6
129.03654	6.8
130.06477	3.4
131.00177	2.3
134.99625	57.6
137.02896	10.3
138.03127	3.5
138.98917	8.3
139.11169	2.5
140.00208	2.6
140.02200	2.0
143.07146	2.6
146.99646	8.3
149.01186	2.7
149.09608	6.1
153.00723	10.5
153.08992	1.7
157.00162	2.3
157.01715	11.7
157.07568	2.9
158.01241	8.4
158.09636	5.8
158.99669	19.5
160.03799	2.5
161.01199	2.6
161.02931	2.4
161.04703	2.3
167.10632	2.2
169.04436	10.9
171.10179	1.7
175.02753	28.1
177.00688	57.0
178.04912	6.6
179.02307	1.8
180.04140	2.1
180.99940	1.6
185.08035	3.8
189.04308	12.7
191.02252	3.2
191.03937	3.2
191.54010	1.6
193.03784	11.3
195.01714	10.8
199.02745	3.6
201.00685	7.6
203.03497	1.8
203.05290	3.5
203.08179	2.1
207.05435	7.1
213.04321	2.7
217.03781	10.8
219.01688	16.5
220.59431	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64619	1.3
52.77204	1.3
53.03882	1.9
56.04958	1.6
60.04449	10.3
61.02848	6.8
62.92922	2.2
68.04947	10.4
69.03336	9.8
79.95662	1.3
81.03328	8.6
84.04432	35.3
85.02824	9.2
92.10899	4.1
96.04423	39.0
97.02814	21.8
98.05981	19.2
99.04403	3.3
102.96790	1.3
109.02811	6.5
114.05486	9.5
115.86578	1.3
120.97864	2.5
121.96585	15.0
126.05471	36.6
137.22610	1.7
137.66391	1.8
138.05476	100.0
138.98892	2.9
144.06541	27.4
168.06516	7.9
186.07600	2.6
204.08643	8.9
216.37062	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74778	0.5
53.03875	3.3
53.31613	0.5
54.81731	0.6
55.01801	1.3
55.05446	7.5
56.04961	4.2
56.20655	0.6
56.96498	0.8
57.03351	0.8
57.07004	0.8
58.99265	0.7
58.99520	12.2
59.44424	0.6
60.04457	10.4
61.01046	0.7
61.02850	2.8
62.92623	1.0
62.92916	18.7
68.04955	6.1
69.03342	7.3
69.06986	0.9
70.06498	2.8
71.04908	1.1
72.04435	1.1
73.01048	2.8
73.02828	1.0
75.66193	0.7
76.02134	1.3
79.05384	3.1
80.04925	3.4
81.03332	8.4
81.06976	10.4
83.01261	2.4
83.04894	1.1
83.08539	1.7
84.04433	20.5
85.02821	4.2
86.98555	0.7
86.98985	8.9
90.83524	0.8
96.04424	38.5
97.02826	16.9
98.05984	18.0
99.04375	5.0
100.03839	0.7
100.11194	12.2
101.02320	1.4
102.96789	3.2
103.95539	1.2
105.00028	2.8
105.18613	0.6
108.04413	0.8
109.02845	9.9
114.05506	7.4
115.05748	1.5
116.05283	1.2
120.97848	1.3
121.96597	83.8
124.03931	1.3
126.05479	32.5
127.03866	3.6
130.06509	8.0
138.05482	100.0
138.98940	3.5
141.07317	0.9
144.06526	28.6
144.98186	1.1
158.05949	7.6
158.09947	4.4
168.06541	9.6
181.02847	0.9
181.97903	1.1
186.07576	3.9
187.07828	9.5
204.08623	3.8
204.10484	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	204.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45175	1.0
54.81096	1.2
55.01809	6.8
55.05449	44.3
56.04974	2.9
57.07008	2.9
58.99221	2.8
58.99519	86.9
59.38894	1.1
60.04445	14.2
61.01079	12.5
62.92918	19.5
68.04945	4.2
69.06983	5.4
70.06535	1.6
73.01051	22.3
73.02825	1.8
74.00572	9.9
76.02136	18.2
79.05400	13.7
81.06973	76.6
82.06535	1.4
83.08520	12.8
84.04424	5.3
85.01052	5.5
85.02826	6.5
86.06062	1.3
86.98979	55.2
87.02634	1.8
88.02142	8.3
88.03922	7.2
96.04408	2.4
97.02824	2.2
99.02618	5.9
100.11183	100.0
103.25259	1.2
103.95547	1.6
105.00027	20.2
107.08535	2.8
112.11217	2.1
113.04176	1.8
115.05730	14.4
116.05269	10.2
116.37351	1.3
117.05520	1.5
119.97830	1.1
121.96587	99.4
126.05488	1.5
127.03910	1.5
141.07318	8.1
144.98221	2.2
146.06020	1.6
158.09958	36.3
181.97900	2.1
187.07848	65.5
204.08644	3.2
204.10493	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95449	0.7
53.03876	1.0
55.01803	4.8
55.05443	1.4
56.04964	3.9
56.96493	4.4
57.03373	13.2
58.06530	1.4
59.80912	0.8
60.04458	63.5
60.95777	2.1
61.02859	9.3
62.92912	5.9
63.92871	7.8
65.03854	0.9
67.05412	1.2
68.04951	6.8
69.03355	13.1
69.06969	0.7
70.06511	27.4
71.01300	0.9
71.04888	1.9
71.06824	0.9
72.04403	1.2
72.08070	1.5
73.02831	17.1
74.02342	1.0
78.95190	23.1
81.03316	6.7
81.93880	2.0
82.06489	1.7
82.16195	0.8
83.01244	1.1
83.06014	1.0
84.04427	18.4
84.08067	100.0
85.02831	22.6
85.08395	6.1
86.09626	9.4
87.04396	1.7
87.09957	3.7
88.02140	8.9
88.02600	1.6
88.03915	1.4
88.52718	1.0
90.05479	1.9
91.03873	1.0
91.05405	40.3
92.05726	2.1
93.04444	1.1
96.04427	11.0
96.96237	3.7
97.02821	28.5
98.03130	1.1
98.05973	3.3
98.09597	0.9
99.04370	5.8
100.07511	0.8
101.00799	1.6
101.02296	1.1
101.10719	3.8
102.02354	2.1
102.05475	0.9
102.52303	0.8
102.96799	10.9
103.00645	0.9
103.02320	0.8
103.03090	1.0
103.05403	7.9
105.00334	0.9
105.06953	1.2
107.04895	5.5
109.02847	3.8
109.06476	0.9
110.06001	2.0
110.07127	9.1
111.02862	2.1
111.09195	0.9
112.07559	1.2
112.11198	15.6
113.11521	5.3
114.05508	6.2
115.02338	0.9
116.07027	10.9
118.06487	1.3
119.01880	22.0
119.04885	26.6
119.97844	23.7
120.01912	7.7
120.03350	1.6
120.05235	0.8
120.08092	2.0
120.97862	15.5
121.00740	2.0
121.01618	48.9
121.96589	24.2
122.94150	11.8
126.05459	9.3
127.03852	6.4
129.10185	8.5
129.13860	5.4
130.08606	4.4
130.14200	1.3
131.01868	12.0
131.04877	11.9
132.01990	1.4
133.01637	1.0
133.03365	1.1
133.10548	1.3
135.03047	1.0
136.07556	38.2
137.02943	6.6
137.07898	1.5
138.03073	4.4
138.05487	4.9
138.98920	24.5
139.01784	5.8
139.02690	37.7
140.95227	8.9
143.01862	4.4
144.02109	1.4
144.03207	10.3
144.06529	1.9
145.01700	1.2
145.03459	4.7
145.04974	1.5
145.08766	1.0
147.03281	1.7
147.04333	8.2
147.11269	1.5
149.02960	4.3
155.01855	5.0
156.99979	11.2
157.03426	3.6
158.03743	3.9
158.05975	1.1
158.11736	1.9
158.96278	22.9
159.03194	1.4
159.04378	18.2
161.02925	17.6
162.00533	1.2
162.03053	5.2
162.04300	6.7
163.01601	2.6
163.02922	6.8
163.04433	1.2
163.96808	11.5
168.06458	1.5
173.02905	17.5
174.03101	4.8
174.04466	1.3
175.02673	3.6
175.04425	1.1
176.97377	1.4
181.00110	1.1
181.02734	9.4
181.03850	11.0
181.97861	26.3
185.02895	7.7
203.03983	4.1
204.04219	1.8
204.08531	8.9
204.10277	1.8
209.12775	1.5
221.05003	5.2
222.05283	1.1
223.04662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1383
Annotation	Crotamiton
Peak:m/z	Relative Intensity
52.88118	0.2
55.05460	0.3
57.07005	0.6
60.04449	1.2
64.33242	0.2
64.94880	0.2
66.83089	0.2
68.04943	0.4
69.03323	0.2
76.96724	0.2
84.04409	1.0
96.04433	2.4
97.02809	1.4
98.06001	0.2
102.96745	0.3
114.05476	0.3
116.44157	0.2
120.08091	0.5
121.96548	0.4
126.05471	1.6
128.06154	0.3
138.05493	2.3
144.06551	0.6
148.07556	1.1
156.06624	0.3
168.06624	0.3
168.20532	0.3
174.09129	3.3
180.97223	0.3
188.10666	17.1
189.11444	30.4
204.13805	100.0
205.14200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	3.3
55.71078	0.2
58.99520	3.5
61.01083	2.6
63.92862	0.7
70.48140	0.3
72.04433	3.6
76.02124	3.0
78.95187	1.9
84.04430	9.8
86.98956	0.3
88.02138	100.0
89.65750	0.4
90.05479	18.7
92.10802	0.5
97.02799	0.3
99.72115	0.3
100.03915	1.7
102.05475	8.6
116.01646	0.7
119.97795	2.1
122.94156	1.2
140.95210	0.5
142.03195	2.2
145.04294	1.9
158.02689	1.2
158.96303	2.0
163.96834	0.4
181.63438	0.3
181.97902	1.5
187.05327	5.7
188.03712	5.4
205.06390	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	205.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00232	0.5
55.01818	0.8
57.07015	19.1
65.03864	5.9
69.03340	2.3
73.52830	0.6
81.03339	3.1
85.02816	2.3
86.55092	0.5
93.03334	2.9
93.06973	0.8
95.08562	0.6
97.02831	10.6
99.04371	1.0
102.59631	0.6
105.36474	0.5
109.02830	3.3
111.04400	2.6
119.01859	6.0
121.02820	19.5
121.03911	3.3
122.94179	0.8
122.96420	1.0
127.03862	2.1
137.02930	4.7
142.03482	5.9
146.06030	0.9
149.02321	100.0
150.02676	0.6
160.04468	4.2
167.03372	2.4
173.50220	0.6
181.97812	1.9
188.07101	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
54.08053	0.1
57.46119	0.2
57.46889	0.2
57.84912	0.2
74.02358	2.1
89.03841	0.2
91.05398	2.6
95.80315	0.2
98.51019	0.2
103.05434	0.2
104.66142	0.2
115.05409	5.2
117.05715	2.6
117.06964	4.3
118.06495	64.5
130.06493	4.6
132.08058	14.2
142.06502	7.5
143.06148	0.3
143.07285	9.1
144.04405	0.9
144.08067	23.3
145.06476	0.8
146.05989	100.0
155.06046	0.4
159.09155	9.3
160.07535	2.2
170.05986	9.4
188.07036	53.0
205.09668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07528	0.1
58.99811	0.2
59.88638	0.1
63.92873	0.3
65.92551	0.7
77.00813	0.1
78.95192	0.7
80.84783	0.1
80.94880	1.9
82.01340	0.2
82.99775	0.6
83.02182	0.1
84.08080	1.0
100.02414	1.2
101.00805	8.5
107.63319	0.1
110.07113	0.6
117.82565	0.1
118.03464	0.7
119.01878	100.0
119.97824	0.2
120.01927	1.5
120.98234	0.2
121.01614	1.5
121.02330	0.3
121.97543	1.6
122.02014	0.2
122.94143	0.2
123.02060	0.3
124.02388	2.2
124.93893	1.2
137.02934	58.9
138.03009	1.2
139.01770	0.2
139.02696	0.9
140.03079	0.3
141.03127	0.5
142.03479	67.8
142.94916	0.6
143.03639	0.9
151.75008	0.2
157.66722	0.1
158.96265	0.2
159.96637	0.2
160.04527	41.8
160.95978	1.0
161.02904	0.6
161.04692	0.6
164.04649	0.6
165.05078	2.0
165.96489	1.0
174.06093	0.1
182.98174	0.3
183.04298	0.2
183.06125	1.0
183.97542	1.7
184.04424	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	206.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07644	0.3
55.01813	0.4
55.05450	0.6
56.04969	0.4
56.96513	0.3
57.03363	0.4
61.02854	0.5
64.92728	2.1
67.05430	0.9
67.09744	0.3
68.04953	22.1
69.03354	1.4
71.04925	0.5
79.05403	0.7
81.03355	0.5
81.06976	1.6
82.06519	0.4
85.02847	0.8
89.32751	0.4
91.05407	12.9
92.63803	0.4
93.06974	1.7
95.08492	0.3
97.02827	1.5
101.00814	0.4
103.05394	2.6
104.05768	0.9
105.06977	2.1
107.08554	0.7
115.05447	1.5
117.06975	5.0
118.04144	0.4
118.06521	1.7
119.01880	5.8
119.04899	4.3
119.08552	1.4
120.08067	8.0
120.64714	0.4
121.10080	0.6
123.96425	8.8
128.06206	6.3
131.01880	0.9
131.04913	0.5
131.08543	1.7
132.05223	3.3
134.05746	0.4
137.02924	2.0
142.03485	0.8
143.01930	0.6
143.08540	31.7
144.08916	0.5
146.05949	1.7
147.04384	2.9
147.11676	0.6
149.02324	0.7
149.09615	0.6
159.04332	0.4
160.04713	7.0
160.11192	100.0
161.02895	2.5
161.11484	0.8
173.02878	0.4
175.03880	2.8
176.06766	0.4
181.82922	0.3
185.02853	0.5
192.04333	0.5
195.08673	0.5
206.11740	21.8
207.06508	1.5
207.08595	0.8
225.09636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	6.7
55.01818	3.8
55.05437	6.7
56.96489	26.3
60.95784	4.5
61.29736	3.5
67.05423	17.8
68.36196	3.5
69.03345	9.4
71.04910	30.4
79.05419	40.3
80.94887	19.5
81.06963	8.2
91.05405	70.2
93.06982	17.8
95.04890	27.2
95.08535	16.1
99.04378	42.9
102.71250	4.0
103.05415	4.0
103.55860	4.2
105.06973	70.9
106.96507	5.4
107.04910	9.2
107.08528	9.8
108.41874	4.5
109.06495	6.4
109.10043	14.9
115.05412	5.1
117.06968	10.1
119.01879	5.5
119.04887	10.0
119.08543	43.3
120.01952	9.1
120.08015	9.0
121.06433	7.8
121.10087	5.4
121.97545	6.7
128.06178	26.6
128.97794	8.1
129.06999	9.4
133.06479	8.5
133.10072	35.0
137.09633	4.5
137.98325	19.4
138.02953	7.9
143.03593	17.6
143.08556	27.7
146.07207	6.6
147.04314	7.0
147.08026	23.3
147.11647	17.3
149.09613	8.8
149.49181	4.5
159.08067	5.1
160.04660	4.4
160.95996	7.5
161.04762	19.3
161.09581	100.0
165.09157	4.7
183.97517	17.1
207.06540	7.6
207.13777	10.2
216.66365	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	207.1016
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
53.03669	0.8
53.03884	8.2
55.01807	5.1
55.05444	4.3
56.96501	4.1
57.06999	1.2
60.73532	0.9
64.43164	0.9
64.92726	1.2
65.03841	1.3
67.05437	16.3
69.03340	6.4
69.06996	1.6
71.04910	2.2
79.05402	30.8
81.03339	5.0
81.06970	6.2
83.04900	5.3
85.02838	2.5
91.05405	76.4
92.10299	2.2
93.06975	16.4
95.04883	13.5
95.08530	20.8
97.06454	1.1
98.97501	4.1
101.16389	1.0
103.05369	2.0
105.04404	1.4
105.06971	57.0
107.04897	14.0
107.08530	13.1
109.06448	7.3
109.10113	18.4
115.05409	2.1
116.98589	1.6
117.06348	0.9
117.06985	12.3
117.23683	1.0
118.04095	1.3
119.04897	11.7
119.08531	48.5
120.08067	4.1
121.06461	6.4
121.10107	12.6
123.08008	13.2
123.11665	2.2
123.96378	1.2
128.06175	24.9
129.06955	15.3
130.06497	4.0
131.06847	2.2
131.08511	7.7
133.06461	6.2
133.10085	31.2
135.08060	1.4
137.09586	14.5
143.08528	30.1
145.06439	7.2
145.10139	5.2
146.03636	1.9
146.07253	7.4
147.04443	8.2
147.08012	32.0
147.11632	7.5
149.09598	81.2
156.09277	3.6
159.08052	5.4
161.09583	100.0
161.13226	2.1
162.10020	1.2
163.11168	2.0
165.09050	7.0
165.12688	5.6
171.07973	1.2
171.11668	2.4
174.06665	1.5
174.10361	2.5
175.03810	7.4
179.10526	3.5
183.97595	1.9
189.09067	16.0
189.10609	1.1
189.11169	1.2
189.12671	12.9
192.04074	2.2
203.11298	1.1
207.06482	6.0
207.10164	4.9
207.13745	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	Benzyl 2-methyl-3-oxobutanoate
Peak:m/z	Relative Intensity
51.35532	0.9
53.03896	1.6
55.01807	2.0
55.05455	2.3
56.96497	8.9
59.38481	1.0
60.41976	1.0
65.03854	2.3
65.71386	1.0
67.05428	18.4
69.03355	1.5
71.04903	2.0
76.91898	1.2
78.52067	1.2
79.05412	14.2
81.66574	1.1
83.04898	4.8
89.24704	1.2
91.05407	100.0
93.06985	3.0
95.04893	7.0
103.05383	4.9
105.06977	69.9
107.04888	2.6
109.06465	1.3
115.05430	2.5
117.06961	22.3
119.04904	5.9
119.08535	72.8
121.06455	2.7
123.04372	1.9
124.93829	1.1
128.06184	23.6
129.06958	33.2
133.10104	7.7
143.08536	28.0
145.06496	6.8
147.04353	1.7
147.08025	79.1
147.30782	1.1
153.06995	5.4
155.06018	2.4
161.09642	9.4
165.09117	2.5
171.07977	2.3
189.09007	9.0
207.10045	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	207.1017
Annotation	Acetyleugenol
Peak:m/z	Relative Intensity
55.01809	2.6
55.05436	2.1
56.96504	2.8
65.64169	1.0
67.05423	20.0
70.98345	1.2
79.05404	15.9
80.94888	1.2
81.03342	2.5
81.06968	1.7
83.04899	3.1
84.66243	1.2
90.76945	1.1
91.05408	100.0
93.06982	2.7
95.04917	9.6
103.05384	2.0
105.06980	63.7
107.04906	4.6
115.05376	2.9
117.06975	19.7
119.01839	1.7
119.04884	6.8
119.08540	77.2
120.07954	1.2
123.04298	1.5
123.08036	1.5
123.96450	1.7
128.06175	26.0
129.06967	40.6
131.08478	1.3
133.10089	5.6
134.99576	1.8
143.08540	30.5
145.06456	6.4
147.04370	3.0
147.08022	77.9
148.08347	1.6
153.06929	2.5
160.95930	2.8
161.07263	1.3
161.09619	8.7
165.05424	1.3
165.09085	7.7
171.07985	5.0
175.03857	2.0
183.97575	1.8
189.09065	9.8
199.90515	1.2
205.07806	1.3
207.10095	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	207.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34795	0.6
54.75204	0.6
54.81781	0.6
57.63007	0.6
65.64429	0.7
72.23273	0.8
72.61069	0.7
73.18657	0.6
75.02699	1.2
76.02777	1.4
77.58155	0.8
91.05398	3.1
92.05717	1.2
93.06106	1.2
108.54989	0.8
115.05403	3.1
117.06091	1.3
117.06977	3.0
118.06499	47.9
118.07272	2.4
119.06088	1.3
119.06853	34.8
119.07644	3.0
120.07175	36.5
130.06482	4.0
131.06841	1.6
132.07196	2.3
132.08049	10.0
133.08414	6.7
134.08775	9.0
141.06325	0.8
142.06471	1.8
143.07237	5.1
144.07141	3.3
144.08124	13.5
145.08157	7.1
146.05159	1.5
146.05994	39.7
146.08751	20.7
147.06334	43.4
148.06615	90.6
159.09140	7.4
161.09854	8.9
162.08237	1.7
170.06033	3.1
172.06601	14.4
189.07343	4.1
190.07619	100.0
207.10405	1.3
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
50.78920	0.7
51.95140	0.6
54.81366	0.8
55.01818	0.7
55.05457	7.6
56.96490	1.4
57.03352	0.9
57.07020	6.1
59.04927	1.1
65.03859	1.7
67.05080	1.2
67.05432	31.9
69.03336	4.1
69.06983	3.3
71.04903	1.4
74.84718	0.9
76.55908	0.7
79.05410	9.2
81.03333	0.9
81.06975	9.1
83.04894	2.8
85.02831	16.5
85.06451	5.8
91.05408	20.2
93.06982	13.8
94.08227	0.7
95.04881	5.0
95.08539	100.0
99.08070	0.9
103.05384	1.5
105.06976	25.9
107.03553	0.8
107.04922	1.5
107.08538	14.5
109.06476	7.3
109.10101	3.4
113.05950	3.0
116.06219	0.7
117.06963	4.4
118.04121	1.2
119.04896	4.9
119.08540	28.5
121.06454	1.7
121.10107	11.9
123.08028	23.5
123.11657	8.0
128.06125	1.4
129.06926	1.8
130.07761	0.8
131.08527	9.5
133.06433	2.9
133.10101	5.3
135.08026	1.1
135.11647	4.1
137.09593	3.1
141.06956	3.1
143.08539	3.7
145.10086	5.4
146.10933	1.2
147.04407	3.3
147.08015	8.9
147.11674	18.2
149.09599	21.4
151.07513	2.8
156.09363	6.4
159.08093	3.1
160.08759	0.9
161.09587	3.6
161.13199	7.4
163.11148	4.1
165.08995	1.2
165.12691	3.9
171.11560	1.5
174.10361	4.6
175.03873	1.2
179.14276	0.9
189.12730	16.6
192.04178	1.3
207.06531	3.3
207.13768	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.96406	1.0
53.42045	0.8
54.81595	1.0
55.05442	8.3
57.07009	4.6
59.04934	1.1
67.05428	33.2
68.25557	1.1
69.03339	2.0
69.06973	1.3
70.74014	0.9
79.05402	6.7
81.06975	5.2
81.82325	1.2
83.04914	1.9
85.06462	5.9
91.05406	12.1
93.06974	14.4
95.04913	1.7
95.08532	100.0
101.72361	1.1
105.06982	12.2
107.08540	17.6
109.06484	4.4
113.05956	2.7
119.04900	6.1
119.08540	16.5
121.06441	2.0
121.10107	11.1
123.08009	28.9
123.11667	1.4
131.08542	2.3
133.10002	1.2
135.11673	6.1
137.09575	1.4
147.04370	3.8
147.08107	2.2
147.11691	5.0
149.02361	2.0
149.09592	42.2
161.13213	8.2
165.12701	6.5
171.11577	2.0
174.10315	1.8
175.03899	2.2
189.12671	11.7
207.13762	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01798	1.4
55.05445	5.6
57.07005	1.4
59.04932	1.9
65.03870	2.0
67.05433	15.8
68.01758	1.2
69.03345	5.6
69.06973	1.7
73.22665	1.4
79.05399	10.3
79.47252	1.3
81.03320	1.8
81.07011	10.2
83.04915	2.8
85.02836	28.5
85.06479	1.6
91.05399	32.8
93.06971	18.9
95.04913	2.9
95.08526	30.7
99.89713	1.3
103.05404	2.5
105.06966	36.2
107.04903	4.9
107.08556	13.6
109.06446	12.3
109.10114	1.9
116.06208	1.5
117.06976	6.7
119.04868	9.0
119.08533	38.4
120.08054	12.5
121.06474	3.0
121.10091	21.1
123.08024	15.8
123.11646	11.0
125.05941	1.5
128.06195	2.7
129.06932	2.4
131.08517	8.7
133.06490	2.6
133.10109	8.8
135.11594	2.1
136.37099	1.4
137.09589	3.0
139.76965	1.8
141.06912	1.4
142.07841	2.0
143.08527	4.9
145.10081	8.7
146.10973	1.8
147.04387	5.7
147.07979	13.2
147.11674	18.1
149.09593	100.0
151.07536	1.9
154.84944	1.5
156.09322	11.7
159.08041	5.3
160.08824	2.0
161.09576	14.1
161.13217	8.5
163.11136	5.8
165.12688	6.0
171.11626	10.8
174.10368	8.7
175.03853	1.6
189.09082	2.4
189.12700	29.7
207.06412	2.0
207.13748	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.45734	0.9
52.52607	0.8
55.05443	2.2
56.96493	2.1
59.04906	1.3
61.29739	1.1
64.92719	1.4
67.05418	13.3
69.03338	2.1
71.04897	1.9
73.06457	6.9
77.28509	1.0
79.05392	5.8
80.94899	1.4
81.06973	4.0
83.04889	2.0
85.06478	1.3
90.64155	1.2
91.05406	20.4
93.06976	13.0
94.97399	1.2
95.04892	2.2
95.08531	24.4
105.06969	21.3
107.08507	10.0
109.06451	6.4
109.10102	1.7
114.75182	1.3
115.05389	7.4
117.06954	10.9
119.04896	9.0
119.08546	15.7
121.06445	4.8
121.10085	13.9
123.08012	16.4
129.06982	1.6
131.08553	2.2
132.01990	1.6
133.06422	1.6
133.10114	2.5
137.09593	2.4
137.98346	1.5
143.04884	12.3
143.08536	1.5
145.06468	2.0
145.10139	1.4
147.04350	6.0
147.07986	5.0
147.11658	5.8
149.02318	1.4
149.09593	100.0
156.09343	2.9
161.06001	1.9
161.09547	2.0
161.13206	7.3
165.12689	4.9
171.04343	4.7
171.11613	2.9
174.03113	2.7
174.10304	1.9
175.03864	6.2
184.64522	1.2
189.05415	2.7
189.12723	13.4
192.03990	1.7
207.06450	5.4
207.13776	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03871	0.7
55.01810	0.6
55.05444	3.3
56.96513	2.3
57.07019	1.1
59.04936	1.0
65.03851	1.2
65.92534	0.7
67.05425	6.8
69.03337	3.5
69.06968	1.5
71.04885	2.3
73.06465	1.3
75.40582	0.7
79.05408	6.2
80.94867	1.3
81.03317	0.7
81.06953	4.9
83.04877	3.8
85.02808	0.7
85.06458	1.2
91.05405	17.1
93.06966	13.0
93.36695	0.7
95.04895	4.0
95.08534	19.0
105.06973	16.2
107.04862	2.4
107.08542	9.5
109.06479	6.5
109.10082	1.2
111.08051	0.7
113.79778	0.6
115.05419	8.6
115.46214	0.6
117.06951	9.1
118.04128	1.1
119.04907	9.5
119.08533	12.6
120.01930	0.6
120.08095	0.6
121.06419	5.6
121.10098	13.0
121.97584	0.9
123.08024	16.3
123.11659	3.8
123.96390	1.1
128.06146	0.7
130.07675	0.6
131.08542	3.5
132.02092	0.7
132.05579	0.8
133.06435	2.6
133.10092	2.7
136.06433	0.6
137.09592	3.0
138.02979	0.9
141.07004	0.8
143.03806	1.0
143.04887	10.6
143.08505	2.7
145.06424	2.7
145.10083	2.7
146.03604	1.6
147.04404	7.8
147.08012	2.9
147.11665	6.9
148.95419	0.7
149.02299	1.0
149.09595	100.0
151.07549	2.4
156.09312	4.0
159.07977	0.8
160.95996	1.1
161.04726	1.0
161.05946	2.6
161.09605	1.6
161.13191	6.1
163.11049	0.8
164.04538	0.6
164.11865	0.6
165.12703	5.5
165.96538	1.0
171.04366	2.9
171.11661	5.8
174.10332	3.4
175.03909	3.9
183.97517	1.3
189.05409	3.9
189.12695	15.1
192.04169	2.3
207.06543	6.2
207.13754	23.1
209.69797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1004
Annotation	Felinine
Peak:m/z	Relative Intensity
53.00233	2.2
53.03899	1.0
54.28140	0.9
55.01814	1.2
55.05421	0.9
56.96510	6.8
57.03365	2.0
58.99524	13.5
59.04923	4.5
61.02823	1.0
62.98691	1.5
62.99001	38.5
63.00584	0.9
66.92640	1.0
67.05420	12.2
69.03333	1.2
69.06988	100.0
70.06503	4.4
71.04909	1.4
74.00570	4.1
76.02130	1.5
77.00516	1.1
80.48600	0.8
81.94998	1.8
82.94764	5.0
84.04439	3.6
84.08068	2.4
86.09624	1.5
86.98975	8.5
87.08016	1.9
88.02137	2.4
88.03887	5.7
91.05388	4.2
92.05754	1.9
93.06981	1.3
94.06493	2.4
95.04890	1.6
95.08542	1.4
98.97488	1.4
99.04430	1.1
101.04170	3.8
103.53909	0.9
104.05699	1.1
105.00050	7.6
105.03380	1.0
105.07020	1.2
106.07304	1.1
116.35859	1.0
116.98594	1.1
119.01820	2.2
119.05240	95.1
120.01081	7.2
120.08042	6.6
120.08824	1.5
121.01629	1.2
121.06443	1.4
121.08380	9.5
122.05935	1.0
122.97654	2.0
123.97394	1.7
127.60711	1.1
133.16306	1.2
134.99608	0.9
139.02666	1.6
142.98633	1.7
144.03282	1.6
146.05956	5.0
147.04402	1.2
148.08369	1.5
150.05495	11.9
161.18913	1.2
161.96098	3.9
162.04195	1.4
162.05508	1.4
162.95880	3.8
166.66124	1.1
167.96368	1.1
175.44795	1.1
177.00749	1.7
185.97462	5.3
190.08900	1.5
191.07324	22.2
208.06007	1.3
208.09598	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	209.0923
Annotation	Kynurenine
Peak:m/z	Relative Intensity
51.24724	0.8
51.82201	0.8
51.89801	0.9
54.81707	1.1
55.76318	0.9
56.04985	1.0
56.96512	7.5
56.96746	0.9
62.98984	1.7
64.33254	1.1
65.03872	1.0
67.05405	1.0
67.92436	1.1
69.06994	7.6
70.06510	11.2
70.07314	1.7
74.02361	29.6
79.05402	4.3
81.06994	1.3
82.94776	7.8
84.04437	9.5
85.02825	1.9
86.09622	4.9
88.03940	1.3
91.05408	10.8
92.04908	3.9
93.06949	1.6
94.06506	100.0
95.04893	4.4
97.06483	1.2
98.97504	4.1
99.00768	16.9
100.95819	1.5
103.05417	1.7
104.04946	12.4
107.04946	1.3
107.08524	4.9
110.07098	1.3
112.08668	4.0
116.98560	2.3
118.06500	55.9
119.05276	1.1
119.37164	1.0
120.04425	47.0
120.05368	1.4
120.05667	1.4
120.08080	8.5
121.08418	8.7
122.08733	1.9
123.97424	4.6
124.07500	1.2
126.93740	4.8
131.08543	6.8
132.04422	21.8
134.99623	1.1
136.07564	31.1
144.94795	1.6
145.10138	1.9
146.06004	95.5
149.01215	1.8
149.09628	2.6
150.05493	16.8
162.95857	7.1
163.08607	6.0
164.07047	2.4
167.96432	2.4
174.04115	2.0
174.05484	35.5
185.97447	7.1
192.06525	27.7
209.09225	6.0
209.12885	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03873	1.8
54.81264	1.4
55.01802	6.2
55.05458	12.3
55.05676	1.2
57.03373	2.7
57.29657	1.4
63.05125	1.5
67.05428	6.9
69.06989	13.1
71.04903	18.3
74.59231	1.6
78.72132	1.2
79.05413	56.8
81.06982	11.0
83.04892	7.6
91.05411	31.7
93.06975	40.1
95.04899	12.9
97.06440	7.0
105.07005	26.6
107.04898	17.9
107.08546	56.5
109.06471	6.5
117.06965	11.5
119.08520	6.9
121.06472	26.8
121.10097	25.5
123.08036	2.0
125.05959	3.3
126.88786	1.5
129.06926	7.8
131.08537	100.0
135.08014	2.4
135.11615	2.0
145.10112	26.1
149.09605	50.8
153.05405	6.3
160.52753	1.5
163.11179	11.1
167.90556	1.5
191.10667	12.1
209.11726	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	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.76671	1.0
51.87256	1.2
55.01804	6.4
55.05455	11.4
55.91770	1.3
57.03348	1.6
57.07004	1.6
67.05421	9.9
69.03345	8.6
69.06982	15.2
71.04906	13.8
79.05408	53.7
81.06965	12.2
83.04902	11.8
91.05402	32.0
93.03622	1.3
93.06971	43.4
95.04888	13.1
95.08524	3.2
97.06451	11.3
98.05475	1.4
102.08778	1.2
103.05383	1.8
105.06969	37.9
107.04894	18.1
107.08537	65.8
109.06467	9.1
110.07061	1.4
111.08016	1.4
112.24231	1.2
115.05410	2.0
116.64472	1.3
117.06979	9.8
119.08566	9.9
121.06457	26.6
121.10110	34.5
123.08009	6.3
125.05905	5.1
125.09602	7.9
129.06969	5.2
130.07768	3.2
131.08531	100.0
135.07977	2.3
135.11674	2.7
141.05493	1.5
145.10106	29.3
147.07957	1.8
149.09590	53.5
153.05437	7.5
163.11163	12.7
165.09125	1.6
167.10632	2.5
173.13167	2.5
191.10640	13.6
191.14265	7.4
209.11700	21.3
209.15262	5.5
226.20886	1.4
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
53.53387	1.6
55.01820	4.7
55.05467	16.9
56.24025	1.6
56.26942	1.7
57.03369	2.8
57.07001	3.7
58.80431	1.7
67.05427	35.1
69.03358	31.3
69.06987	12.8
71.04915	14.0
79.05415	64.5
81.03310	2.4
81.06992	19.3
83.04900	24.8
85.06470	4.0
91.05416	39.4
92.10963	2.0
93.06980	51.9
95.04903	17.6
95.08532	12.8
97.06458	9.6
105.06975	45.2
107.04919	21.6
107.08539	67.4
109.06467	17.9
111.04401	11.0
111.51830	2.0
117.06950	15.6
119.08546	18.3
121.06471	28.4
121.10107	51.1
123.04408	3.4
123.08047	7.7
125.05967	8.8
125.09587	18.2
129.07008	3.7
131.08539	100.0
133.10059	6.5
135.08043	11.8
135.11638	9.9
135.64986	2.0
143.08598	2.9
145.10095	43.9
147.08038	4.7
147.11673	3.0
149.06012	2.7
149.09602	94.3
149.13181	2.0
153.05460	3.2
153.09109	2.9
158.10973	4.5
163.07500	3.5
163.11159	20.2
165.09114	13.9
165.12778	2.8
167.10658	18.1
173.09608	2.8
173.13249	11.3
191.10629	33.0
191.14287	35.5
209.11696	49.0
209.15385	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	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
52.88283	1.2
53.03641	3.1
53.03888	81.4
54.82617	1.4
55.01814	29.2
55.05449	36.1
56.96507	3.3
57.03371	2.1
58.09576	1.4
59.04931	2.0
64.34038	1.4
65.03856	7.4
67.05424	77.6
69.03329	5.9
69.06980	13.0
70.06506	1.7
71.04900	9.9
79.05409	70.7
81.03336	100.0
81.06510	2.7
81.06970	65.7
82.94764	3.3
83.04900	52.4
83.08532	11.1
85.06455	5.7
86.09368	1.6
89.75261	1.4
91.05400	50.6
93.03351	1.7
93.06974	48.1
95.04893	33.3
95.08540	13.7
97.06451	6.9
99.04402	3.2
103.05386	3.1
105.06982	20.8
106.04147	1.9
107.04887	41.2
107.08528	27.3
109.06452	21.1
109.10107	8.1
111.04381	24.2
111.08039	11.2
115.05427	3.1
117.06951	20.9
119.08534	12.9
121.06449	9.5
121.10085	32.7
123.97373	2.2
125.05977	2.6
125.09589	2.5
129.06943	6.7
130.07736	7.1
131.04871	6.2
131.08513	13.0
132.05701	1.8
133.10091	16.1
135.08018	15.5
135.11662	12.2
137.09579	10.4
142.10359	1.5
143.08482	2.3
145.06459	9.8
145.10089	28.1
149.06012	1.9
149.09624	11.3
149.13255	3.2
151.11154	9.3
153.09079	1.7
153.12686	3.0
155.08527	8.8
162.95819	3.4
163.11128	18.3
167.14268	9.4
171.27788	1.4
173.09599	13.9
174.02611	3.0
181.12163	3.3
185.97543	1.9
191.10640	6.2
191.14226	6.5
209.15390	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	209.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36263	1.4
53.03878	2.0
53.62539	1.3
55.01799	1.8
55.05190	1.8
55.05450	49.9
55.77665	1.3
56.96500	6.5
57.03370	6.5
57.06993	1.6
57.67604	1.4
59.04902	2.9
67.05418	7.4
67.92435	2.3
68.55433	1.5
69.03342	3.3
69.06969	2.3
71.04903	2.2
75.04402	2.8
79.05400	9.3
81.06996	11.8
82.94757	3.9
83.04897	27.5
83.08526	17.0
91.05418	18.0
91.12739	1.5
93.06960	7.1
95.04885	7.5
95.08540	3.0
97.10077	2.9
105.06975	15.7
107.08534	100.0
109.06467	15.8
109.10109	12.4
110.67897	1.8
111.04395	1.9
111.08042	3.8
119.06002	1.8
119.08519	2.8
121.10098	3.8
123.11693	3.2
123.97349	2.2
125.09579	2.1
129.06961	1.7
133.10095	6.9
135.08008	51.1
139.73766	1.6
149.09636	2.3
151.11182	11.3
151.95029	1.7
154.53960	1.9
162.95813	2.9
167.14268	17.3
167.96422	1.9
174.02504	8.6
185.97514	3.4
191.14417	1.9
209.15361	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.62421	1.1
53.03899	1.4
54.81470	1.4
55.01805	5.8
55.05443	7.0
55.59029	1.1
57.03375	2.6
61.88826	1.1
61.91552	1.0
63.96527	1.1
67.05437	10.1
69.03350	7.6
69.06988	10.5
71.04929	14.0
79.05414	44.1
81.06973	9.8
81.07389	1.4
83.04903	9.7
88.80964	1.4
91.05410	31.2
93.06978	50.8
95.04886	8.7
95.85899	1.4
97.06485	7.9
105.06989	33.5
107.04902	17.9
107.08539	56.2
109.06466	5.3
116.06211	2.3
117.06951	11.1
119.08514	7.4
121.06469	20.8
121.10100	24.4
123.08023	3.1
125.05959	6.1
125.09586	1.9
126.22888	1.3
129.07019	2.6
130.07747	2.4
131.08542	100.0
135.08069	2.6
145.10126	33.4
149.09602	54.9
149.10773	2.6
153.05466	2.5
163.11121	14.4
167.07001	2.0
167.10625	2.2
173.09567	2.0
191.10609	14.6
191.14206	2.0
198.85854	1.5
209.11732	25.8
209.15092	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.00232	1.8
53.03885	2.3
55.01805	2.5
55.05189	3.3
55.05449	92.4
57.03365	2.6
57.07012	1.6
67.05415	10.4
69.03339	12.3
69.06973	10.4
71.04893	2.0
77.75933	2.0
79.05400	8.0
79.26179	1.8
80.60525	1.8
81.03328	1.8
81.06968	16.9
83.04897	63.4
83.08534	41.2
85.06467	3.6
90.03357	4.4
91.05415	9.9
91.27495	2.2
92.10203	2.0
93.06963	16.7
95.04893	11.7
95.08512	9.9
97.06446	10.8
97.10067	4.4
105.06973	9.3
106.04097	3.3
107.08532	23.0
109.06467	19.4
109.10087	18.4
111.07995	9.4
119.08523	2.8
121.10081	13.6
122.79912	2.2
123.11650	9.3
123.97344	1.8
125.09575	11.9
126.01025	100.0
131.08502	9.8
133.10066	10.7
135.08051	2.6
149.09589	3.4
149.13239	2.9
151.11174	25.1
167.14262	48.3
167.96428	2.3
173.13319	2.5
191.14319	3.7
209.05878	4.6
209.07829	2.3
209.11604	8.7
209.15300	21.9
229.83521	2.0
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-alpha-ionone
Peak:m/z	Relative Intensity
55.01801	5.0
55.05186	4.7
55.05447	100.0
56.96493	4.2
58.02898	2.4
59.04929	4.0
67.05432	11.3
69.03339	6.2
69.06981	13.3
79.05401	14.1
81.06967	18.1
82.94757	6.3
83.04895	81.9
83.08532	35.5
85.06459	3.9
91.05402	7.7
93.06952	14.9
95.04856	6.9
95.08508	13.2
95.84492	3.6
96.08034	3.3
105.06963	13.0
106.04098	4.5
107.08527	23.7
109.06465	7.4
109.10107	29.8
111.08009	3.7
113.50826	2.9
121.06419	5.2
121.10084	13.8
123.11655	7.6
125.09573	13.3
131.08501	5.5
133.10097	21.1
145.10103	4.1
149.13193	5.9
151.11148	27.6
162.95818	5.8
163.11168	4.3
165.12694	6.3
167.14288	42.7
185.97462	4.6
191.06894	3.4
191.14340	4.2
202.53465	3.9
209.15251	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03905	1.0
55.01812	1.4
55.05218	1.0
55.05451	15.2
56.33686	0.6
56.96472	0.8
57.07010	5.6
59.04935	1.1
67.05424	10.6
67.13628	0.6
69.03361	5.2
69.06974	4.5
71.04911	5.8
74.21918	0.9
79.05407	8.9
81.06975	12.4
83.04894	8.0
83.08521	4.4
91.05390	10.6
93.06976	8.1
95.04889	8.0
95.08545	8.8
97.06480	1.1
97.10104	0.7
105.06966	11.1
107.04910	0.8
107.08539	22.1
108.47685	0.7
109.06467	100.0
109.09397	1.2
109.10101	21.3
111.08012	3.7
115.05388	0.9
117.06974	5.2
119.08521	3.8
121.06458	2.8
121.10082	11.5
122.07228	1.1
123.08026	10.6
123.11692	1.1
125.09590	3.2
129.06978	0.7
131.08545	10.9
133.10083	18.6
135.08017	30.5
137.09592	11.8
141.31648	0.8
143.08542	1.1
145.10135	2.5
147.11656	0.8
149.09601	4.3
149.13246	4.6
150.10365	1.4
151.11150	15.7
158.10883	2.5
162.95834	0.6
165.12735	1.2
167.14276	3.6
173.13194	6.6
174.02559	0.9
175.08127	0.6
175.93048	0.7
176.11877	0.7
176.35008	0.6
181.89461	0.6
185.97382	0.8
191.14261	15.4
195.25716	0.7
197.69901	0.6
209.15329	5.0
224.25517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03886	1.5
55.01795	5.2
55.05444	17.3
56.07620	1.1
57.03367	3.0
57.07008	10.6
59.04912	2.5
65.03825	1.0
67.05424	24.0
69.03348	71.6
69.06987	23.7
71.04914	11.4
79.04961	1.7
79.05402	45.7
81.06966	26.9
81.51317	1.2
83.04893	30.9
83.08510	5.0
85.06464	7.7
91.05405	36.6
92.10274	2.8
93.06969	61.7
94.77754	1.1
95.04878	15.0
95.08528	23.7
97.06456	11.3
100.58522	1.3
105.06969	34.5
106.16824	1.3
107.04893	19.0
107.08533	77.4
109.06460	23.2
109.10102	6.0
111.04362	7.9
111.08019	7.5
111.11623	2.5
115.05399	1.4
116.06155	1.2
117.06950	7.9
119.08538	19.8
121.06430	20.4
121.09206	2.5
121.10089	77.0
123.04351	1.5
123.07988	13.4
123.11634	5.2
125.05927	4.9
125.09579	57.3
126.17261	1.3
129.06912	6.7
130.07747	2.2
131.08534	70.1
133.10097	15.4
135.07999	32.4
135.11635	14.1
135.60687	1.3
143.08511	2.8
145.10094	30.0
147.08002	2.0
147.11664	7.6
149.06021	1.8
149.09592	74.8
149.13246	10.9
150.10352	5.2
153.05351	1.7
153.09065	14.5
158.10864	9.1
161.09576	2.6
163.07498	1.5
163.11134	23.8
163.14745	6.8
165.09068	7.2
165.12700	8.9
167.10631	48.3
173.09621	3.0
173.13211	32.9
176.11877	2.8
179.77550	1.2
191.10616	23.2
191.14253	100.0
209.11682	28.0
209.15312	50.0
227.18866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.09927	0.8
50.12519	0.8
53.03883	1.1
53.53092	0.8
55.01813	1.0
55.05218	1.0
55.05443	9.3
57.07006	1.8
57.66241	1.1
60.06995	1.1
63.91684	0.9
67.05436	8.6
69.03345	12.7
69.06979	7.1
71.04887	1.4
75.69075	0.9
77.75114	1.0
79.05405	13.1
81.06976	26.1
83.04895	2.3
83.08532	1.6
84.32340	1.2
91.05410	21.2
92.10233	1.9
93.06968	10.0
95.04895	5.6
95.08532	5.4
102.35902	0.9
103.05340	1.5
105.06968	20.2
107.04881	2.0
107.08537	42.8
109.06472	20.0
109.10114	16.7
115.05392	8.0
117.06961	9.2
119.08538	9.2
121.06474	4.7
121.10096	26.4
122.07247	17.7
122.66916	1.3
123.08006	1.9
124.15671	1.0
131.08539	8.3
133.10091	100.0
134.03969	1.1
135.08015	31.9
137.09587	88.6
140.20134	1.1
145.10034	1.9
149.09544	2.0
149.13251	15.9
151.11174	5.9
173.13184	4.9
180.03806	1.1
191.14265	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	209.1534
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
55.05193	3.3
55.05451	100.0
57.03377	1.4
57.06986	1.3
59.04922	1.4
67.05424	6.1
69.03349	4.0
69.06980	3.5
69.09956	1.5
71.04897	2.2
79.05399	2.4
81.06966	12.3
83.04437	2.8
83.04899	59.2
83.08537	30.4
85.06483	2.0
91.05418	3.0
93.06964	6.5
93.61349	1.6
95.04881	3.2
95.08517	6.3
97.06448	6.6
97.10078	7.0
107.08533	13.5
109.06454	2.5
109.10114	14.4
111.08010	7.3
121.10076	8.1
123.11653	6.8
125.09547	7.0
133.10117	3.3
149.13200	5.8
151.11166	24.4
160.41013	1.4
167.14287	34.2
209.15366	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	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03880	1.6
54.81582	1.4
55.01806	3.6
55.05444	6.3
56.96503	13.6
57.03385	1.7
61.02844	3.2
67.05426	34.6
69.03352	1.9
69.06991	3.4
71.04909	67.2
73.02806	2.0
79.05414	32.8
81.03313	5.8
81.06966	32.6
83.04897	13.4
84.95966	2.3
85.02838	3.1
85.06463	3.4
87.04384	3.4
90.91467	1.4
91.03891	2.1
91.05405	99.1
92.10250	3.6
93.06965	17.3
95.04894	9.7
95.08537	2.6
95.26168	1.5
97.02837	2.0
97.06496	2.6
98.97498	2.5
103.05386	1.6
105.06267	2.1
105.06977	58.2
107.04923	2.3
107.08543	10.3
109.06446	8.4
111.04361	2.0
112.89278	1.5
116.98553	2.9
119.08553	23.0
121.10091	9.3
123.08018	2.2
125.05923	6.8
129.06979	5.5
131.08513	12.0
133.06430	8.9
133.10088	100.0
134.99643	2.0
145.24742	1.6
147.07996	14.4
147.10645	2.2
147.11681	25.5
149.09616	10.8
149.13199	1.9
151.07524	2.2
151.11139	18.6
157.10104	2.6
165.12633	2.3
175.11140	29.5
177.00577	1.9
193.12227	25.4
209.77742	2.3
225.08078	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0747
Annotation	GEIR-1
Peak:m/z	Relative Intensity
52.83416	40.4
54.81398	40.7
56.39928	48.4
57.71462	41.1
64.38299	41.8
91.77892	49.5
93.00967	43.3
196.04727	100.0
213.07555	82.6
227.75874	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	213.1483
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.05770	2.1
53.03879	2.9
55.01815	2.5
55.05452	32.9
57.03364	3.9
61.02834	2.6
63.99042	2.1
67.05079	3.4
67.05429	85.1
69.06989	27.6
71.04898	4.3
71.93620	2.4
72.78329	2.4
73.02850	2.7
76.55884	2.3
79.05408	59.0
81.06972	100.0
83.04866	11.1
83.08519	19.2
85.06419	3.3
85.17004	2.2
88.07527	13.7
90.62433	2.2
91.05410	32.9
91.99966	2.2
92.93688	2.6
93.06453	2.9
93.06976	56.9
95.04890	5.8
95.08524	29.8
97.06457	12.1
99.08015	3.0
105.06984	12.3
107.08531	29.6
114.05537	3.2
117.06966	10.9
119.08588	3.4
121.10062	3.6
131.08524	5.9
133.10094	15.8
135.11649	13.6
142.97794	2.3
149.13203	18.2
159.11673	4.4
177.12582	2.8
179.75011	2.6
195.13814	13.0
234.28340	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03894	6.5
55.01806	4.6
55.05460	36.0
56.69545	3.8
56.96490	4.8
57.03368	10.4
62.06591	3.7
67.05431	69.2
69.06985	24.5
70.06521	5.6
71.04894	4.8
79.05401	41.4
81.06979	100.0
81.90989	4.6
83.04913	8.7
83.08531	21.8
88.07561	42.1
91.05389	10.9
93.06973	55.0
95.04911	5.5
95.08526	20.0
97.06474	7.3
105.06961	6.3
107.08546	29.9
117.07026	5.3
117.61827	4.6
121.06386	4.8
121.10117	7.1
122.88438	4.8
131.08502	7.0
133.10110	6.1
149.13246	19.6
159.11644	6.8
170.07896	4.6
172.11055	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.29052	1.1
53.03888	2.1
54.36449	1.0
55.01805	3.2
55.05452	27.1
57.03373	11.4
57.06999	2.6
57.30202	1.4
62.75604	1.1
64.61251	1.2
65.03854	1.6
67.05076	2.4
67.05429	72.2
69.06992	26.8
70.06521	1.3
71.04902	3.3
75.90753	1.2
79.05407	40.9
81.06978	100.0
83.04909	10.0
83.08554	13.2
85.06470	2.7
88.07553	8.4
91.04882	2.6
91.05407	29.6
93.06972	55.9
95.04896	7.6
95.08539	21.0
97.06460	9.1
105.06960	10.0
107.04876	1.5
107.08542	29.4
109.06441	6.5
111.08018	6.7
112.79237	1.4
117.06973	7.3
121.10112	11.7
131.08540	8.6
133.10094	10.6
135.11644	8.9
149.13254	19.0
149.94565	1.5
159.11658	9.4
177.12679	2.5
185.07149	2.1
195.13812	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	213.1484
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
50.22818	1.5
55.01592	1.3
55.01811	17.1
55.05452	100.0
56.96490	10.6
57.03359	3.8
57.52544	1.4
67.05126	2.4
67.05431	41.0
69.03346	7.3
69.06975	22.0
71.04906	64.8
72.93665	1.4
79.05403	30.8
81.06971	49.5
83.04891	8.2
83.08534	54.4
85.06461	4.1
87.04378	2.8
88.07543	3.4
90.07950	1.7
91.05399	11.8
93.06972	26.3
95.04871	2.9
95.08511	12.8
97.06461	76.6
97.10101	67.9
100.90253	1.9
105.06966	6.6
107.08530	31.6
109.10104	10.8
117.06960	3.6
119.08524	2.7
125.09595	28.7
131.08519	8.1
133.10109	3.7
135.08000	2.9
135.11650	9.0
151.11269	2.2
153.09094	1.9
163.02716	8.1
177.12672	2.4
187.39017	1.9
189.11130	3.9
195.13770	34.2
208.33154	1.7
213.11378	2.0
213.14803	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.2529
Annotation	Tetradecylamine
Peak:m/z	Relative Intensity
50.74669	0.5
51.91042	0.5
54.48668	0.5
57.06737	1.1
57.07011	21.6
64.46355	0.5
70.16928	0.5
71.08548	7.9
85.10077	2.1
114.02879	0.7
214.25269	100.0
215.25610	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32165	0.2
55.01817	0.2
56.96492	0.5
60.15707	0.2
69.06965	0.2
70.06505	2.0
70.95774	0.6
72.08051	0.4
72.93703	3.2
78.66956	0.2
90.94759	3.1
95.08521	0.3
108.95808	1.6
109.06387	0.4
114.36510	0.3
115.05396	2.3
122.05971	0.4
128.13347	0.3
132.95804	7.1
137.06010	0.3
139.01807	0.6
142.06499	3.8
146.05989	0.6
149.96101	1.8
150.96864	22.8
151.07536	0.3
154.06516	0.6
155.07027	0.3
167.97124	2.0
168.06766	0.7
168.97871	1.7
169.07571	100.0
170.05931	0.5
170.08163	0.5
191.97084	2.8
197.07024	0.6
209.98161	2.6
213.60207	0.3
215.08121	25.6
231.02367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	0.5
54.81856	0.3
55.01791	0.4
55.05446	4.7
56.52784	0.3
56.96495	0.8
57.03349	0.5
57.06817	0.3
57.07014	4.1
57.59965	0.3
58.06524	0.5
67.05408	0.7
69.06651	0.4
69.06992	7.0
71.08551	36.3
72.93702	0.9
81.06989	0.7
81.54593	0.3
82.06511	5.4
83.04905	4.9
85.06470	4.7
86.05964	0.4
86.78354	0.3
88.11196	11.3
90.83564	0.3
90.94741	1.5
92.10199	0.5
97.00740	0.7
98.97511	5.8
100.07553	19.5
110.05999	0.8
111.04389	8.6
114.09113	0.7
114.37170	0.5
116.98581	6.0
121.00702	0.8
128.02348	0.4
128.07040	7.3
129.05457	1.6
132.95805	2.5
133.10202	0.4
134.99646	3.3
137.05914	0.4
139.01775	5.7
150.96866	9.4
152.14337	2.8
156.13782	1.6
158.99655	1.9
162.03427	2.0
167.97105	0.8
168.97887	0.7
169.07605	0.4
170.15370	100.0
173.47397	0.4
177.00676	3.5
180.13860	0.9
191.97105	0.8
192.08185	0.6
198.14868	58.8
199.15105	0.5
209.98245	0.6
215.17491	2.8
230.13733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48791	0.9
53.00248	1.6
53.03880	1.5
55.01808	6.5
55.05453	100.0
56.96507	1.4
57.03372	3.9
57.07013	33.0
58.06533	1.2
67.05428	19.5
69.03340	10.8
69.06989	79.7
70.06516	2.4
70.21072	1.4
71.04908	6.3
71.08543	11.6
72.04446	1.6
72.08067	5.3
73.06461	2.4
79.05411	14.1
81.06976	45.8
82.04773	1.1
83.04903	11.5
83.08541	93.2
83.54169	1.1
85.06459	4.5
85.10104	2.4
86.05998	7.4
86.09626	1.9
91.05425	2.6
93.06976	24.8
95.08526	31.3
97.00723	4.8
97.02825	40.3
97.06469	22.1
97.10101	51.3
99.07986	1.5
100.07553	12.1
101.05975	2.2
105.07010	2.1
107.08537	35.7
109.06463	1.3
109.10112	8.2
111.04375	1.7
111.08007	14.2
114.09121	4.5
115.07491	1.4
121.00730	2.0
121.10099	21.6
123.11659	7.2
125.09604	13.3
126.09096	1.7
128.10696	1.2
129.09036	1.3
135.11696	5.4
139.01788	27.2
139.03929	2.1
139.11180	6.6
139.14804	1.8
140.77896	1.0
145.42140	1.2
153.00745	1.1
155.07056	2.3
156.17491	2.1
162.03424	4.5
163.14790	47.9
181.15826	28.9
198.11162	4.9
198.18500	15.4
199.16966	2.2
199.48323	1.3
216.12292	4.7
216.17653	1.1
216.19464	9.1
234.77594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1958
Annotation	12-Aminododecanoic acid
Peak:m/z	Relative Intensity
55.01803	0.8
55.05449	1.9
55.20480	0.8
56.04969	1.9
57.03370	1.8
57.07014	17.0
58.06539	8.7
62.06005	0.9
67.05412	0.9
69.03352	11.5
69.06981	1.2
70.06514	9.6
71.04900	1.3
71.08553	5.9
72.08067	3.6
80.42876	0.9
83.04896	3.7
85.02831	100.0
86.05507	1.5
86.05994	31.3
86.09618	4.0
88.07536	1.3
88.45269	0.9
89.58665	0.9
92.57648	0.8
97.00743	4.5
97.02230	1.1
97.02830	20.8
100.07556	39.7
104.07047	1.0
111.04415	3.7
115.03878	9.6
118.08604	1.9
121.00735	4.2
121.09072	0.8
126.09109	1.9
126.71835	0.8
127.03874	4.3
129.05432	1.4
139.01794	23.3
139.02774	1.6
155.06982	3.9
156.17455	4.2
157.04890	1.8
162.03391	3.8
173.08054	1.0
198.11273	3.6
198.18512	94.9
199.18793	1.2
216.12329	4.7
216.19559	28.3
217.10760	1.0
222.16451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0682
Annotation	Decarboxytiaprofenic acid
Peak:m/z	Relative Intensity
70.06524	4.1
74.21458	3.9
74.72826	3.7
84.08049	4.9
92.10284	4.1
119.01889	5.7
137.02904	4.9
137.75873	4.0
162.02884	3.8
217.06784	100.0
233.63628	4.4
234.27444	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	2.2
55.05451	11.9
56.96497	2.8
57.03371	1.2
59.04943	1.2
67.05456	1.8
69.03351	63.0
70.06480	1.6
73.02833	2.2
81.07000	1.6
83.04895	16.6
85.02832	17.0
91.05401	1.3
97.00732	1.8
97.02824	100.0
98.97517	6.6
99.04389	1.3
101.05949	5.0
109.14975	1.2
111.04379	15.2
112.09607	1.2
115.03879	11.6
116.98581	12.7
117.75894	1.2
119.08540	1.6
127.07572	1.9
129.05418	5.0
134.99644	18.0
153.00711	5.0
155.06989	17.1
157.04903	9.0
173.08040	10.8
217.10559	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	217.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	1.0
55.01820	0.7
55.05459	5.5
56.96231	0.6
56.96498	1.4
57.03357	1.1
57.07004	1.5
58.06532	0.7
67.05429	0.6
67.77036	0.6
69.03355	11.1
70.06513	2.3
71.08548	0.9
73.02826	1.4
83.04910	8.2
85.02833	100.0
86.05980	3.8
87.04384	0.6
88.07523	0.7
90.80231	0.6
91.34210	0.6
96.99202	0.7
97.02824	20.2
98.97504	1.1
100.07555	5.9
101.05959	3.3
111.04389	8.7
113.05942	0.8
115.03864	7.8
116.98572	2.5
122.47697	1.0
123.38882	0.7
127.03887	1.5
127.07387	0.7
129.05434	3.3
134.99646	5.3
141.99722	0.7
148.60822	0.7
153.00627	2.8
155.07037	8.8
157.04955	1.0
173.08084	6.0
198.18483	10.2
199.18823	4.2
216.19540	2.7
217.10635	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	217.097
Annotation	6052-68-2
Peak:m/z	Relative Intensity
55.05460	1.7
56.96494	2.2
81.05149	1.3
83.04916	1.5
98.97517	26.7
105.03347	1.5
111.04414	3.1
116.98565	23.7
117.05737	1.4
128.06212	5.1
129.06966	61.0
130.06499	8.3
131.07373	1.3
131.91568	1.2
132.08060	14.1
134.99603	10.8
143.07323	2.0
144.08066	69.5
146.09650	7.7
154.06505	25.3
155.07065	6.0
156.06769	6.1
156.08041	52.1
158.08342	1.4
171.09140	100.0
173.10713	31.6
195.01741	2.1
217.09660	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0972
Annotation	6052-68-2
Peak:m/z	Relative Intensity
51.22013	0.2
61.33960	0.2
74.01974	0.3
74.02356	7.0
84.96835	0.2
98.97523	0.5
103.05381	0.3
112.89700	0.2
116.98597	0.3
117.06965	0.9
128.04878	0.2
129.41092	0.2
130.06491	2.0
131.55101	0.2
132.08084	1.1
136.73817	0.2
143.07289	2.5
144.08067	100.0
145.06493	0.2
145.08411	0.4
146.05936	0.3
155.05992	0.4
156.08092	0.2
166.59102	0.2
171.09149	1.2
188.07124	0.3
217.09697	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88524	2.0
52.00716	1.8
55.05452	65.0
56.42505	1.8
59.04922	4.1
60.46959	1.9
67.05421	2.5
69.03344	12.3
69.06989	12.1
73.02817	2.9
77.80125	2.3
83.01286	3.0
83.04900	90.0
85.06490	4.6
89.02306	5.0
89.05943	15.0
94.84025	2.9
97.06462	10.2
98.80869	2.3
98.97550	4.0
101.05952	30.7
107.12277	2.0
111.04385	100.0
113.05963	13.1
116.98558	4.8
125.05984	11.1
127.07522	13.8
129.05434	45.8
134.99657	11.5
138.77577	2.4
143.07005	14.1
155.07010	99.9
173.08058	73.5
217.10675	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1547
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
55.01802	0.7
55.05185	0.6
55.05454	15.1
56.04972	0.4
56.30611	0.3
56.96507	3.6
57.03367	0.5
57.05763	0.4
57.07029	0.5
59.07326	0.4
60.04468	1.3
69.03341	0.8
69.06990	1.5
70.06509	2.9
71.04947	0.4
72.08073	100.0
73.06461	1.5
81.06979	0.5
83.04892	3.1
84.04416	2.1
84.08070	3.7
85.02831	1.4
86.06005	0.8
86.09625	3.2
88.03904	2.8
97.02831	0.9
98.97520	21.9
101.06008	0.7
105.06992	0.4
111.04365	3.4
112.08672	0.7
114.36833	0.4
116.98572	26.6
118.08603	2.3
119.01894	2.2
120.08055	0.5
120.70587	0.3
129.05466	0.9
129.10278	0.7
130.03220	2.1
134.99628	27.2
135.08070	0.5
137.02971	0.6
140.00230	0.6
141.93619	0.4
145.03531	0.6
153.00688	7.6
155.07065	2.8
158.01263	1.7
158.08228	0.4
162.46490	0.4
163.04488	1.4
171.14821	0.5
172.04552	0.4
172.09680	0.5
173.08032	2.5
176.02419	0.4
177.00748	1.7
181.40042	0.4
195.01782	2.4
199.05421	2.3
217.06729	3.7
217.09030	0.7
217.10901	0.7
217.15370	2.8
231.12717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	2.0
53.03885	0.9
55.05192	1.0
55.05449	25.4
56.96501	10.4
57.07018	6.9
67.05415	4.3
69.06989	100.0
71.04904	5.3
71.08552	3.9
72.04430	1.1
73.06467	1.8
81.06962	1.0
83.04903	8.7
83.08546	3.7
84.85876	1.0
85.10125	1.1
86.10417	0.8
89.05958	4.2
95.04887	1.0
98.97520	12.5
101.05956	3.8
109.10142	1.0
111.04408	10.0
111.11667	33.4
113.06956	1.0
115.02180	1.1
116.98573	19.9
117.44682	0.9
127.09430	0.9
129.05429	5.9
134.01216	0.9
134.99631	24.9
139.01863	1.0
153.00693	5.3
155.07013	9.7
158.01257	1.2
173.08031	8.6
176.02211	1.2
195.01649	0.8
199.11430	1.3
217.07129	1.4
217.10683	6.1
217.12642	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81530	0.7
57.06776	0.9
57.07009	14.5
62.06003	1.0
70.06145	1.3
70.06503	25.1
71.08545	8.4
74.05959	0.6
88.07545	27.7
102.09090	8.7
106.08605	13.7
144.74550	0.7
174.18387	1.0
174.63084	0.7
190.33344	0.8
200.20064	10.5
218.21095	100.0
224.14432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49958	43.6
79.06533	49.1
79.09682	47.1
82.67880	49.6
86.09599	54.1
92.94027	55.4
119.01859	87.9
137.02890	100.0
164.45821	49.6
173.03000	61.5
217.10930	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	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01805	1.9
55.05457	2.8
56.96499	11.5
57.03371	2.9
67.05423	3.3
69.06979	2.0
70.35744	1.5
71.04926	1.8
79.05414	4.1
81.06976	7.3
85.02848	1.8
86.67372	1.5
91.05405	24.4
93.06973	3.1
95.04902	1.9
95.08529	3.2
97.18903	1.5
98.97522	7.8
99.97872	2.4
100.38054	1.7
103.05396	3.0
105.06967	15.0
107.08554	3.2
109.10126	2.7
115.05378	13.1
116.06185	8.5
116.98570	13.5
117.06997	14.5
117.98943	1.6
119.08501	6.4
123.08050	2.3
128.06175	12.8
129.06963	63.6
130.07745	3.8
131.04924	8.1
131.08528	58.1
133.10048	3.7
134.99615	17.0
135.08063	2.9
137.05972	3.6
141.06972	56.2
143.04895	2.3
143.08574	2.9
144.05675	9.1
145.06479	9.5
145.10057	2.9
146.06003	2.9
146.07274	7.1
147.08064	7.7
153.00644	2.8
157.06433	23.1
158.07245	32.6
159.04465	2.8
159.08015	23.2
159.11678	20.5
160.05162	6.6
161.05986	2.3
161.09547	3.4
161.86369	2.1
169.06429	18.5
170.07242	7.5
173.05997	7.9
173.13245	2.6
174.05214	4.1
174.06723	100.0
175.07504	10.4
184.10883	1.9
186.06709	23.5
188.08284	2.9
189.09085	71.0
191.10640	2.8
201.09113	32.7
201.12755	3.3
219.10123	68.5
219.13803	10.8
219.17337	2.2
231.85150	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81595	0.6
55.01803	3.5
55.05444	3.8
56.96496	2.7
57.03355	1.0
59.44239	0.5
60.04462	0.9
62.97357	0.5
65.03859	0.9
67.05422	35.6
67.05782	1.2
69.03336	1.2
69.06973	4.6
70.87086	0.5
71.04899	2.4
75.39693	0.5
79.05404	4.7
81.06971	34.1
83.08560	0.6
84.48035	0.5
86.09632	1.3
88.03902	1.1
91.05399	4.6
91.39201	0.6
92.10236	1.3
93.06944	5.1
95.04895	5.7
95.08527	13.0
97.06445	2.5
98.97504	3.6
99.04379	3.8
99.08005	1.4
105.06989	3.3
107.04931	0.7
107.08535	2.6
109.06463	2.4
109.10100	100.0
111.04402	6.4
113.05928	0.9
115.05371	1.4
115.76112	0.8
116.98550	6.0
117.05696	1.3
117.06937	1.4
119.08541	6.8
121.10095	3.7
123.04389	1.2
123.07835	0.6
125.05955	5.0
129.06955	3.0
130.06512	3.5
131.08539	2.6
132.08047	11.3
134.99614	7.5
135.99986	0.9
137.09584	60.8
141.06984	1.2
142.06497	2.7
142.11771	0.6
143.07268	4.5
144.04428	0.9
145.05235	1.5
146.05965	0.7
147.08014	6.7
153.00710	1.2
155.09497	1.1
155.10652	15.8
159.09146	7.5
159.11653	1.1
160.07538	47.2
165.09062	28.3
165.10384	1.2
170.05974	4.1
174.06746	2.9
183.10103	6.8
189.09108	1.4
201.11176	8.6
201.12820	0.8
202.08578	14.2
203.14256	1.0
219.10143	1.2
219.17407	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1339
Annotation	Ile-Ser
Peak:m/z	Relative Intensity
52.33154	0.7
53.76282	0.7
55.05452	1.2
56.04964	1.8
56.96506	1.3
57.05754	0.9
58.05279	7.0
58.06526	1.2
60.04456	1.1
61.13384	0.7
67.05435	1.0
68.04951	6.3
69.03313	0.8
69.06997	14.2
70.02866	2.0
70.06500	4.1
72.04421	1.3
72.08057	3.6
72.11634	0.9
73.02847	1.2
74.05987	1.8
76.16079	0.7
77.00812	0.9
79.03749	0.7
82.06504	1.5
84.04419	1.1
84.08065	9.9
85.02863	0.9
85.06456	1.9
86.03450	1.4
86.09628	100.0
88.03916	39.6
90.05476	6.3
95.06001	0.9
98.09612	6.6
98.97499	2.0
100.03916	2.1
110.09637	17.2
112.11181	9.9
114.45118	0.8
116.98560	2.1
118.03455	1.3
118.64503	0.7
119.01859	3.5
124.07561	1.3
127.12285	11.9
132.10147	4.5
134.99608	1.6
137.02934	1.4
142.08633	1.4
144.10188	9.0
156.10173	3.1
173.11349	1.3
173.12823	38.6
184.04512	1.1
191.07687	2.1
202.10716	5.0
214.09190	2.1
217.21936	0.9
219.13364	16.2
220.11978	1.1
238.14511	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1381
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
55.01808	9.2
55.05441	5.8
56.96498	6.8
57.03373	15.9
58.84885	1.1
66.05589	1.3
67.05447	9.4
69.06982	1.5
71.04903	9.0
79.05400	12.3
81.06991	10.7
85.06470	2.4
88.08285	1.2
91.05405	41.3
93.06967	6.1
95.04881	2.1
95.08498	1.8
97.02759	1.4
98.97489	11.3
99.04387	1.9
103.05395	2.9
105.06966	31.1
107.04872	1.7
107.08521	5.9
109.06447	2.5
109.10120	2.2
115.05392	11.6
116.06161	2.7
116.98558	15.7
117.06960	43.2
117.98927	1.4
119.08530	21.9
121.06413	3.1
128.06174	6.1
129.06944	36.3
130.07758	6.8
131.04915	6.0
131.08531	69.1
133.06422	7.2
133.10100	8.3
134.99641	14.7
135.08063	10.4
137.05969	2.7
141.06949	22.9
142.07719	5.7
143.08524	3.1
144.05721	1.8
144.09348	6.2
145.06438	9.3
145.10086	17.5
146.07222	2.2
147.08011	45.4
149.09619	6.6
153.00674	3.3
155.08495	10.0
157.06461	8.4
157.10098	15.9
158.07225	12.0
159.08008	13.2
159.11652	100.0
161.09604	1.5
162.74388	1.4
163.07513	2.3
163.11118	7.2
169.06482	6.2
170.07188	2.5
173.05940	1.7
173.09621	2.3
173.13272	13.1
174.06732	46.5
175.07436	2.7
175.31281	1.4
183.11644	9.3
184.05426	1.4
186.06737	8.8
188.08232	1.9
189.09079	37.2
191.10585	2.6
191.14360	1.3
199.97505	1.3
201.09048	12.9
201.12686	16.7
203.14291	1.6
207.23155	1.5
219.10179	32.7
219.13725	45.9
219.17346	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.138
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
50.04324	0.9
52.11370	0.9
55.01797	7.1
55.05436	2.8
55.24086	0.9
56.96498	1.7
57.03370	14.4
59.04937	1.0
67.05428	8.3
67.47916	0.9
69.06969	1.6
69.67642	1.2
71.04901	9.3
74.50031	1.2
79.05408	11.2
81.06966	13.3
81.90633	1.0
85.06452	4.8
87.08000	1.1
91.05405	31.9
93.06960	7.2
95.04889	2.2
95.08529	2.0
97.06487	1.2
98.64184	1.2
98.97498	4.9
99.04381	2.3
103.05371	1.6
105.06982	30.7
107.08516	6.3
109.06457	2.0
113.05923	1.6
115.05380	4.7
116.98556	2.4
117.06966	43.4
119.08543	19.1
121.10088	1.6
123.08022	1.4
123.11628	10.5
128.06146	4.9
129.06944	14.6
130.07761	4.8
131.08527	50.8
133.06438	7.0
133.10106	5.1
134.99606	4.4
135.08028	7.1
141.06963	2.7
141.12675	1.7
142.07790	4.4
143.08501	2.8
144.09309	7.1
145.06422	1.7
145.10092	21.8
147.08031	40.0
149.09590	2.6
155.08458	9.7
157.10120	14.4
159.08005	6.3
159.11659	100.0
163.11110	6.9
168.09297	2.2
173.09631	2.1
173.13261	9.6
183.11668	5.8
187.06992	1.2
201.12755	18.7
219.13745	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	219.1743
Annotation	(E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
Peak:m/z	Relative Intensity
55.01818	1.9
55.05438	2.8
56.96496	3.9
57.06992	2.4
67.05426	3.0
69.06989	4.3
75.76162	2.0
79.05466	2.3
79.42490	2.1
81.06984	8.4
91.05405	3.9
93.06969	3.7
105.07000	3.9
119.08545	13.5
121.10121	5.5
123.08041	3.0
133.10115	9.5
134.99628	3.7
145.10117	3.1
147.08026	2.4
161.13239	5.5
165.15082	2.2
203.14236	54.2
219.17377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62611	0.7
53.03912	0.6
55.14919	0.7
56.04978	25.6
56.96494	3.4
57.03377	1.2
58.06531	1.3
58.99522	24.6
59.04924	1.4
60.05583	0.7
61.01069	1.8
68.04936	1.7
69.03354	1.3
69.06993	1.4
70.06509	1.4
71.04923	0.7
73.01050	5.1
73.02819	1.8
77.00528	0.9
79.05399	4.4
80.04932	1.0
81.06985	1.1
81.82596	0.8
82.06489	0.9
83.04894	0.9
84.04420	1.0
85.01049	1.5
85.02837	0.9
86.00578	9.5
86.05994	1.3
86.09634	1.0
86.98981	20.6
87.01363	31.2
87.02615	0.8
88.02145	23.7
88.07566	20.2
90.05503	1.7
91.05424	1.5
93.06976	1.9
95.04910	0.9
96.39326	0.7
97.01053	1.0
97.02828	4.1
97.06456	1.0
98.97522	1.7
100.03914	4.1
102.03733	0.9
103.02109	9.4
103.85036	0.8
105.00040	6.3
105.06974	1.1
107.08539	6.7
110.07121	0.9
114.03712	71.3
114.05458	1.7
116.07053	5.0
116.98563	4.7
117.00042	1.6
119.01625	3.8
121.10123	1.3
123.08029	0.9
124.07526	0.8
126.05481	4.2
128.04922	0.9
130.06410	0.7
131.01585	3.2
132.04536	0.9
134.99641	4.5
139.58092	0.9
146.06316	11.6
149.09605	4.7
159.03154	1.9
160.04250	53.5
167.10670	3.5
174.05817	100.0
177.00687	0.8
220.06366	24.4
239.88437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1179
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
51.17261	1.2
53.93590	0.9
55.01797	2.0
57.07011	10.7
59.04935	9.4
67.05421	10.3
69.06979	7.2
70.02871	12.7
70.17652	1.0
72.04430	26.1
73.02827	6.3
74.02344	1.9
83.04871	2.0
85.06467	15.0
87.08023	1.5
90.05477	100.0
95.04898	11.6
96.08081	1.7
96.92765	1.1
98.02345	26.1
100.03905	1.5
103.07513	6.5
113.05930	2.8
116.03415	11.7
124.07548	24.2
130.06479	7.5
132.04404	5.9
140.27647	1.2
142.08588	8.2
157.07570	1.4
158.05959	9.6
166.08588	2.5
168.49571	1.1
174.11229	2.0
175.08591	4.7
184.09642	13.4
202.10680	20.4
220.11760	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1179
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
55.01812	1.5
57.07017	11.4
59.04922	7.6
67.05434	10.3
69.06982	5.7
70.02868	13.0
72.04430	19.6
73.02829	2.8
74.02383	1.5
85.06475	19.2
86.09618	1.7
90.05482	100.0
92.10900	2.4
95.04903	11.5
96.08047	2.9
98.02352	24.9
100.03873	1.6
103.07513	9.0
106.68536	1.3
113.05944	2.2
116.03405	14.6
117.91965	1.4
118.58108	1.2
124.07554	26.0
130.06471	1.3
142.08627	9.8
184.09677	14.9
202.10733	20.1
220.11795	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	220.118
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
52.16184	0.9
52.64611	0.9
55.01790	1.3
56.56159	0.9
57.07010	8.5
59.04921	9.8
67.05432	10.4
67.22392	1.0
69.06994	8.0
69.81015	1.3
70.02869	10.6
72.04430	23.7
73.02825	5.9
74.02365	2.1
77.42004	1.1
79.05430	1.1
81.06997	1.6
85.06463	14.4
86.09637	1.3
87.08038	1.7
90.05479	100.0
95.04881	11.7
96.08068	2.9
98.02355	23.3
100.03902	3.0
103.07525	10.4
113.05955	2.3
116.03386	12.4
124.07556	28.0
142.08612	9.4
158.06026	2.3
160.09633	1.3
175.08694	1.9
184.09697	16.3
194.60991	1.3
202.10683	24.1
220.11760	26.7
220.13765	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	220.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	0.8
55.01815	0.7
56.12129	0.6
57.03357	0.7
57.07006	1.0
59.04926	4.8
67.05438	1.4
69.06979	3.2
71.04906	55.4
79.05401	9.9
81.06974	35.5
81.39399	0.6
84.04427	0.8
91.05404	1.3
92.79549	0.7
93.06978	11.6
95.08529	13.3
97.06455	9.2
103.05410	2.6
105.06972	11.8
107.04926	3.1
107.08525	9.8
115.36465	0.7
119.08576	0.9
121.10097	93.5
123.11655	23.0
125.05945	13.7
125.09595	3.5
130.06496	0.9
139.11148	38.2
149.09557	5.8
156.08101	0.7
167.10651	33.1
174.09087	1.5
185.11684	100.0
220.09831	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
52.91448	0.5
56.96484	0.7
57.07011	1.1
59.04922	1.3
67.05428	1.5
69.07034	0.5
70.02868	1.2
70.07306	0.8
72.04427	2.9
73.02842	0.6
73.04752	0.7
82.02842	2.4
85.06464	1.3
85.22675	0.6
86.06781	1.0
87.00617	2.2
90.05492	17.3
91.05811	5.3
92.35070	0.6
94.06493	4.3
95.04895	2.4
96.05264	0.9
98.02335	2.8
98.97501	3.6
99.02686	1.1
102.96780	0.7
103.07465	0.7
104.03297	1.5
115.05371	0.8
116.03401	3.6
116.98563	2.7
117.03708	0.7
119.01823	2.4
124.07556	2.8
125.07860	2.8
128.98514	0.6
130.06499	76.6
132.04425	61.2
134.99579	1.3
137.02873	0.9
143.08940	0.8
148.07523	0.8
156.79233	0.6
157.07591	31.6
158.05991	100.0
159.06332	1.2
175.08638	83.3
176.07127	1.5
176.08859	1.2
185.09996	4.7
186.05539	0.7
203.11162	4.9
204.06566	1.5
221.09201	21.8
221.12076	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	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
63.15975	0.7
64.33327	0.9
71.37739	0.8
81.27374	0.7
82.02866	1.6
94.06490	3.9
94.70482	0.9
116.04847	0.8
130.06505	64.1
132.04428	55.0
132.05440	1.2
147.09132	1.1
148.07658	0.9
155.73616	0.9
157.06311	1.2
157.07597	34.2
158.05991	100.0
175.08646	69.2
176.07001	1.1
186.05585	1.4
204.06572	1.4
221.09186	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	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
58.06531	1.0
61.97485	0.7
72.69217	0.5
74.02333	0.5
78.60497	0.6
82.02849	1.3
84.04375	0.5
94.06500	5.3
98.97538	0.9
103.05399	0.8
104.04905	1.1
104.47843	0.6
110.07149	0.9
115.05408	1.0
116.98558	1.1
119.01879	1.2
125.62854	0.5
130.06496	100.0
131.06848	0.9
132.04420	54.7
132.08066	1.0
148.07550	0.9
157.07587	61.8
158.05984	73.2
159.06326	1.3
175.08638	38.1
176.07024	1.5
185.07069	1.1
186.05524	0.9
197.60956	0.6
198.45854	0.7
203.08116	20.6
204.06508	2.6
221.09196	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	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.17809	0.7
57.00435	0.6
57.41024	0.7
62.39092	0.6
71.38692	0.6
75.80852	0.7
76.21139	0.7
82.02860	1.7
91.31738	0.7
94.06520	3.2
104.04944	1.2
114.37113	0.7
115.05357	0.8
116.98615	0.8
130.06497	100.0
132.04424	58.3
148.07558	4.3
156.06885	0.9
157.07597	35.2
158.05989	90.8
175.08638	51.0
176.07030	1.1
203.08098	2.9
204.06557	1.4
216.36720	0.7
221.09189	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	221.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81658	0.9
55.01803	6.1
55.05433	4.6
56.96504	19.5
56.96769	1.9
57.03373	17.5
67.05437	11.5
69.03353	2.0
69.06992	9.3
70.06499	5.0
71.04903	18.6
71.95162	1.3
79.05404	26.0
81.03310	1.4
81.06960	4.7
83.04895	1.9
85.02827	5.0
89.05936	1.1
91.05412	7.4
93.06974	20.3
95.04891	5.4
95.08541	1.7
97.02793	4.6
97.06440	6.5
98.97516	56.2
98.98165	2.1
99.04360	5.6
102.96767	1.4
105.06982	8.9
107.04879	2.4
107.08544	44.4
107.32883	1.1
109.06502	1.4
110.07071	1.0
110.44604	1.0
111.07993	1.3
116.98573	78.7
118.01482	1.2
119.01859	6.7
119.04898	1.8
119.08527	2.4
120.97050	1.0
120.97870	4.0
121.10113	21.5
123.08037	1.4
129.06976	1.1
130.06471	5.6
131.08548	11.7
132.04396	5.1
134.99629	100.0
137.05922	2.0
138.98941	7.1
139.11127	1.2
140.00081	1.4
146.99599	2.1
147.07964	1.4
149.09595	20.3
153.00685	32.8
157.07603	2.0
158.01208	17.1
158.05965	8.3
158.99648	1.7
161.01309	1.1
165.06497	1.2
167.10609	18.1
175.08615	5.4
176.02255	8.6
177.00734	2.4
179.02267	1.3
181.02834	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	1.0
55.05450	0.8
56.96512	12.7
57.07019	2.9
58.07341	1.0
59.04930	1.1
60.04474	0.7
67.05429	4.2
69.06993	1.2
70.02888	1.2
70.06505	3.7
70.07283	0.7
72.04433	4.1
72.08081	0.9
73.02821	0.8
73.04762	1.1
81.03339	3.4
82.02863	1.3
82.07307	0.9
83.03195	0.7
84.08079	2.9
84.95965	0.8
85.02827	2.8
85.06470	3.0
85.24010	0.6
90.05484	17.4
90.94909	0.7
91.05344	1.2
91.05828	6.7
91.14385	0.7
92.05904	5.5
94.06515	3.5
95.04942	2.4
95.06845	2.9
96.05231	1.2
97.02821	1.7
98.02350	3.5
98.97520	32.9
99.02688	0.8
100.70588	0.8
102.96840	4.6
103.05399	0.7
105.06979	0.9
107.04928	0.9
110.07120	0.8
116.03427	1.4
116.05750	1.0
116.98574	50.1
117.03802	0.9
119.08578	0.9
120.01929	0.8
120.08064	0.9
120.97899	5.8
121.06431	1.3
121.08366	1.0
124.07567	4.6
125.07864	1.5
129.06958	0.8
130.06502	28.9
131.04897	3.0
131.06839	68.4
132.04417	26.7
133.03284	1.1
133.04779	42.0
134.99632	51.4
138.98924	7.1
140.00230	1.0
142.08583	0.9
146.99596	0.7
153.00676	13.6
156.99963	0.9
157.07542	8.6
158.01222	9.4
158.06004	27.3
158.07941	32.3
159.04327	4.2
159.06339	100.0
175.08641	16.2
176.02275	3.4
176.09000	71.8
177.00632	1.1
177.07513	0.9
181.02869	0.8
186.10196	1.3
187.05920	1.0
203.11061	1.7
204.11287	3.5
205.06883	1.8
221.04826	0.8
221.12135	1.5
222.09506	22.4
222.12216	6.6
222.14656	0.9
239.05894	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40812	0.4
56.96495	4.6
57.07011	10.0
60.95773	2.4
64.33628	0.7
65.03844	1.2
69.48032	0.4
69.85667	0.5
71.95149	0.5
86.13280	0.5
89.74352	0.5
90.42008	0.4
92.64330	0.5
93.03317	1.1
98.97505	17.5
99.71905	0.4
99.97836	5.2
111.04359	0.8
116.98563	28.1
117.98905	8.1
118.98943	0.6
119.74674	0.5
121.02820	9.4
121.03957	0.7
128.07443	0.5
134.99619	33.2
135.99953	10.5
140.00154	0.9
149.02312	100.0
150.63367	0.5
153.00673	11.3
154.01021	3.5
157.91562	0.5
158.01210	4.8
158.91093	0.6
159.01579	4.0
167.03360	3.1
171.05215	0.6
171.35663	0.5
176.02206	1.6
177.00781	0.5
177.02600	0.9
201.00307	0.6
214.71880	0.5
219.01573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	18.5
54.39241	1.6
54.81540	1.4
55.01802	3.7
55.05443	8.6
55.64262	1.3
56.43357	1.3
56.96500	25.9
57.03366	7.8
61.02854	2.8
65.03859	1.5
67.05424	6.8
69.03338	9.8
69.06984	2.0
70.06506	3.7
71.04891	2.7
73.02818	2.7
79.05412	23.2
81.03333	35.3
81.06982	9.4
83.04908	10.6
84.95958	2.2
85.02837	3.1
91.05411	42.7
93.06969	29.6
95.04909	7.3
95.12983	1.8
97.02816	2.7
98.97503	28.9
99.97843	4.1
100.86877	1.7
105.07012	13.2
107.04884	10.8
107.08541	17.9
109.02834	4.1
109.06458	2.0
115.05405	8.8
116.98578	36.9
117.06966	100.0
117.98911	4.0
119.04942	2.1
119.08562	7.5
120.04387	1.8
121.06474	14.8
121.10097	4.0
123.04420	3.1
131.04944	2.1
131.08545	19.0
133.06479	14.0
134.99620	36.5
135.08012	20.0
135.99940	9.1
138.98906	2.9
141.07210	1.8
145.06511	2.4
147.08080	1.7
149.02298	14.1
149.09593	15.6
153.00662	12.7
154.00972	2.5
158.01257	2.5
158.99628	6.6
159.01570	2.2
159.04417	8.0
159.08028	8.2
161.05978	8.6
163.07526	7.8
164.07057	4.0
174.47241	1.6
177.00668	10.2
177.09081	10.8
181.02858	2.2
195.01717	1.9
195.10175	4.2
205.08594	3.3
223.09523	2.9
230.37531	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1691
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
53.03878	1.6
55.05450	7.0
56.26939	0.3
56.96500	0.7
65.03864	1.7
67.05429	41.9
69.06984	2.5
79.05408	19.4
81.06976	100.0
82.07288	0.6
83.08534	0.9
85.06466	0.6
91.05412	2.5
93.06973	11.5
95.04887	0.9
95.08534	77.5
98.97534	1.5
105.06985	1.6
107.08542	7.5
109.06449	0.8
109.10109	13.3
116.98595	1.0
117.06973	0.6
117.98884	0.7
119.08525	0.9
121.06532	0.5
121.10086	5.5
123.08050	0.5
123.11642	0.6
131.08557	2.5
134.99644	3.0
135.08038	0.6
135.99971	0.5
145.10107	2.6
149.02354	4.1
149.09608	1.6
152.61185	0.4
153.00722	0.6
161.13222	0.6
163.14818	1.0
187.14789	2.6
205.15829	0.5
223.16890	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	223.1691
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
53.03885	0.9
53.19351	0.4
55.05453	7.7
56.22554	0.5
56.96503	4.0
63.34058	0.5
63.61830	0.4
65.03849	0.8
66.21588	0.5
67.05078	1.1
67.05428	32.8
69.06979	2.4
73.77377	0.5
79.05412	16.3
81.06976	100.0
82.07294	0.7
83.08533	1.0
85.06458	0.6
91.05411	1.2
93.06979	9.4
95.04859	0.9
95.08534	74.0
98.97502	9.9
99.97852	2.7
105.06965	3.5
107.08519	6.4
109.06484	0.7
109.10117	13.5
116.98579	11.0
117.06945	0.9
117.98904	3.7
118.98245	0.6
121.10102	4.6
123.07999	0.7
123.11632	0.6
131.08546	2.1
134.99623	12.7
135.99962	2.3
140.00191	0.8
145.10074	2.6
149.09628	0.9
153.00687	4.0
154.01012	0.6
158.01234	2.3
159.01585	0.7
161.13132	0.6
163.11125	0.7
163.14783	0.9
187.14807	2.7
205.15793	0.6
215.33798	0.6
223.16832	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	224.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81570	2.7
55.01799	6.7
55.05448	2.3
56.04966	4.4
56.96500	61.3
57.03381	34.9
58.06531	5.4
58.99495	2.8
60.04443	15.8
60.05569	4.0
60.43388	2.2
61.01059	3.7
61.02855	24.0
63.92871	2.6
67.05407	5.1
69.03356	30.7
69.06970	10.2
70.06512	35.3
71.01250	3.7
71.04902	5.1
71.06841	2.8
72.08057	15.2
73.02822	44.6
74.05964	4.0
77.00830	2.9
78.95177	15.0
81.03331	6.1
81.04433	3.7
81.93832	3.2
84.04422	14.1
84.08062	44.3
85.02815	43.2
85.06464	12.5
86.09628	45.1
87.04409	2.6
91.05412	6.6
96.02303	3.2
96.96243	3.5
97.02802	41.6
98.03169	3.6
98.09623	3.3
99.04391	3.2
100.07531	13.3
101.00815	5.8
102.02325	3.2
104.07048	3.0
107.06010	5.4
109.02814	4.7
110.07091	12.3
111.02866	3.2
112.11149	3.8
113.00768	2.6
113.03425	6.3
116.07005	5.0
116.98524	4.1
119.01878	100.0
119.04861	3.3
119.97806	13.8
120.01942	3.5
121.01579	3.0
122.94140	5.6
126.03638	4.5
126.09113	4.7
126.95396	3.5
127.03876	11.2
130.01747	3.1
131.01888	29.5
132.03413	4.8
132.10204	5.3
133.03384	3.9
134.99599	2.6
136.06154	56.0
136.07581	3.9
137.02937	59.9
138.03316	5.3
140.95160	5.7
142.03445	22.7
143.01869	20.1
145.03416	12.9
146.99608	2.8
149.02925	6.9
155.01846	14.6
157.03470	6.9
158.04916	4.8
158.96225	6.6
160.04526	12.9
160.06358	11.2
161.02914	51.1
162.03130	3.2
163.04460	3.1
163.96825	6.2
167.01860	3.1
169.34161	3.1
172.95316	3.2
173.02905	40.5
174.03040	3.2
174.98460	12.8
175.04472	4.8
178.07416	4.8
179.03964	13.2
181.97861	16.1
185.02893	17.6
188.05844	4.0
188.07393	3.1
189.03566	6.2
192.05505	13.0
203.03996	16.2
205.01198	3.6
206.06987	4.6
206.16432	3.6
213.03517	6.3
215.03990	4.9
221.05142	5.7
224.02554	11.2
224.07898	22.0
224.09924	2.9
224.17429	26.5
228.39873	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	224.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	1.3
56.04966	2.3
56.96481	1.8
57.03357	2.3
58.06536	75.1
65.48483	1.2
69.03340	1.4
70.06499	7.7
71.01315	1.2
73.02829	3.1
73.07583	6.9
79.05419	4.8
84.08047	5.4
85.02818	1.8
87.09153	28.7
91.05402	1.9
94.06525	1.4
94.09550	1.3
97.02811	1.6
100.26644	1.1
101.00793	2.9
105.06971	1.4
106.06454	1.6
115.95018	1.2
116.28775	1.3
117.05700	8.2
119.01875	23.2
119.61810	1.2
120.04379	1.8
120.08081	1.7
128.98619	1.4
130.06488	8.1
130.38454	1.6
132.08055	26.9
137.02939	14.4
137.03825	1.9
138.05402	1.4
142.03465	6.5
143.01837	2.0
146.05914	1.5
148.03900	1.5
150.05482	100.0
150.77644	1.3
160.04543	2.7
161.02887	5.8
164.07053	9.4
165.79826	1.2
173.02960	2.5
176.07019	22.7
179.03972	5.0
207.11240	5.5
224.13811	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	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32671	0.2
58.72059	0.2
62.27420	0.2
72.39437	0.2
82.11198	0.2
82.99754	0.8
83.14976	0.2
92.10321	0.3
94.04067	0.2
100.02421	0.3
101.00818	9.3
110.39354	0.2
119.01884	100.0
120.02000	1.0
124.02422	1.2
137.02943	50.6
138.03172	0.2
139.03362	0.3
142.03490	30.8
142.45137	0.2
143.03571	0.2
160.04532	16.0
161.02937	8.6
161.04332	0.3
165.05069	0.4
173.87979	0.2
179.03984	25.7
179.12154	0.2
184.04556	0.8
189.08734	0.2
202.05569	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	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
55.01794	0.8
57.07010	2.9
65.03871	6.0
67.05430	0.7
71.04910	0.8
71.08527	1.4
79.05432	0.8
80.06194	0.9
89.03841	3.3
91.05409	98.9
95.04866	3.6
103.05398	2.9
105.03345	2.9
107.04911	2.5
107.95376	0.8
108.05717	1.2
114.37685	0.8
118.04109	14.4
119.01876	4.4
119.04900	100.0
120.29284	0.7
121.02830	3.2
122.03588	0.7
123.04383	0.7
129.03331	2.9
131.80481	0.7
132.02036	9.0
133.02798	1.0
135.04344	4.9
136.05147	4.3
137.02936	3.3
145.02847	3.1
146.03619	4.6
147.04396	78.6
149.02318	15.7
153.05461	0.9
157.03964	6.8
163.03839	2.8
163.96095	0.7
164.04640	13.2
165.40024	0.7
174.03087	1.2
175.03880	74.1
177.01805	6.8
179.03961	1.1
179.07045	10.9
192.04146	36.5
192.05888	1.3
207.06508	80.3
208.06635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.08886	0.5
53.03876	1.0
55.01817	2.3
55.05447	3.1
57.03382	0.9
57.07006	4.0
65.03859	5.2
67.05424	8.3
69.03360	1.1
71.08530	0.8
77.03842	1.0
78.04669	0.6
79.05415	4.7
80.06147	0.9
81.03337	1.2
81.06972	3.5
83.04883	2.3
83.34788	0.5
85.02815	2.6
85.06478	1.3
89.03839	3.2
90.04637	0.8
91.05404	100.0
93.06973	5.2
95.04893	5.9
95.08529	21.5
103.05392	3.3
105.03361	0.8
105.06965	8.3
107.04910	2.7
107.08537	2.6
108.05651	0.9
109.06436	4.0
109.10119	0.8
113.05949	0.7
117.06959	2.5
118.04108	10.0
118.59956	0.5
119.01936	5.6
119.04893	89.2
119.08518	10.9
121.02813	3.0
121.06442	1.0
121.10078	1.4
122.03593	0.9
123.04394	2.3
123.08020	6.2
123.11658	1.0
128.06161	0.9
129.03316	1.4
129.06947	0.7
131.04858	0.7
131.08566	1.0
132.02020	7.6
133.02795	1.0
133.06474	1.2
133.10092	6.7
135.04393	3.3
135.11601	0.9
136.05208	3.3
137.02899	4.1
137.09554	2.1
142.03505	1.3
143.08548	1.1
145.02818	2.8
146.03619	4.4
147.04387	65.5
147.08009	5.6
147.11671	1.1
148.63893	0.6
149.02312	15.2
149.09560	3.1
150.03085	1.1
150.72884	0.7
151.11200	0.6
153.05496	0.7
157.03943	5.1
160.04488	0.7
161.09584	12.2
161.13245	0.9
162.03125	0.8
162.60332	0.6
163.03867	1.1
164.04654	11.5
164.06863	0.6
165.09102	0.9
174.03117	1.1
175.03868	68.4
176.04138	0.9
177.01830	5.2
179.04033	2.4
179.06992	10.5
183.06366	0.9
189.09012	5.5
192.04131	34.4
207.06493	71.6
207.10091	2.8
215.93564	0.6
225.11086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00229	1.0
53.03878	5.4
54.81207	1.2
55.01815	2.9
55.05448	15.8
56.96502	89.3
57.07010	12.7
64.89601	1.2
65.03858	2.1
67.05426	22.2
69.03349	9.2
69.06967	5.8
69.83872	1.2
71.04910	17.5
71.08545	6.1
74.97514	15.4
79.04967	1.4
79.05407	40.6
80.06184	2.0
81.03365	1.7
81.06971	21.4
83.04912	15.3
85.02831	5.2
91.05402	38.5
92.10847	2.1
92.98575	2.4
93.06964	12.2
95.04890	24.8
95.08536	11.9
97.02797	1.9
97.06449	7.2
99.04389	22.9
101.94986	5.4
103.05375	1.7
105.03336	5.7
105.04446	1.5
105.06976	40.3
107.04896	34.4
107.08534	13.3
109.02208	2.4
109.02880	1.6
109.06466	14.0
109.10101	56.7
111.04372	7.6
113.02303	1.8
115.05405	2.5
116.03047	5.2
117.06950	6.9
119.01875	33.7
119.04896	15.7
119.08534	31.6
119.96056	2.7
120.97883	1.7
121.06457	8.0
121.10078	4.3
123.08044	9.3
123.11681	2.7
125.05901	1.5
128.04773	1.6
128.06189	17.7
129.03830	10.5
129.06963	7.9
131.04898	2.9
131.08551	2.4
133.06435	2.0
133.10110	22.8
135.07980	2.9
136.04642	2.4
137.02957	29.7
137.05336	1.7
137.09589	61.3
137.97069	1.9
138.04309	2.7
138.98889	5.2
140.83617	1.2
141.03819	3.0
142.03459	12.1
143.08522	24.4
145.06442	2.2
145.10069	5.8
146.07243	7.7
147.04350	12.1
147.08020	30.8
147.09076	2.1
147.11594	1.4
149.09604	2.3
150.04333	6.1
150.54526	1.8
151.07451	2.5
155.03683	1.6
159.04890	5.8
159.07976	1.5
160.04504	5.9
160.97411	1.6
161.02846	2.4
161.09581	100.0
161.13237	1.9
163.07538	5.2
163.11166	7.8
165.09076	35.0
174.06670	2.4
175.03938	8.8
178.98616	11.8
179.03946	9.7
179.10573	8.1
185.13733	1.7
189.09096	9.6
192.04143	2.1
193.04305	2.5
196.99657	6.8
197.11679	1.7
207.06480	16.1
207.10168	10.0
207.13773	6.6
217.58986	1.5
225.07497	27.5
225.14703	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
53.03880	4.3
53.12975	0.8
54.81742	1.1
55.01810	9.5
55.05445	5.0
56.59232	0.9
57.06997	5.1
67.05426	9.6
69.03345	1.5
71.04898	1.6
71.43600	1.0
72.04478	1.0
75.26540	0.8
75.51771	0.8
79.05407	19.5
79.98889	1.1
81.03336	12.2
81.06966	17.1
83.04887	4.2
83.08524	1.5
84.04409	1.4
85.02825	62.5
85.24746	1.0
91.04821	2.3
91.05399	60.1
92.10305	1.9
93.06968	10.1
95.04889	5.0
95.08507	5.7
100.11167	5.1
105.06974	39.0
107.04873	1.8
107.08535	2.4
109.06430	1.4
109.10099	6.7
112.53081	1.1
117.06960	13.2
119.01891	11.2
119.04881	8.1
119.08533	70.3
121.06431	1.7
121.10080	5.2
123.08007	4.4
123.10757	1.3
123.11654	34.9
125.05932	9.2
128.06169	4.7
129.06953	7.5
131.08521	5.0
133.06436	6.1
133.10083	32.0
137.02954	4.1
137.09592	5.6
142.03409	1.5
143.08546	17.5
145.06425	1.3
145.10075	2.1
147.04390	6.1
147.08022	53.1
147.11717	1.8
149.02303	1.2
149.09569	5.9
151.07483	1.9
154.12187	1.3
157.04007	1.1
161.09578	100.0
163.11143	4.6
165.09067	5.6
171.08038	1.5
174.10205	1.1
175.03908	8.8
179.04012	1.6
179.10625	13.7
189.09067	51.2
189.12646	1.7
192.04124	4.7
207.06425	5.8
207.10097	19.0
207.13753	6.8
225.10995	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03886	0.7
53.68279	0.3
54.43611	0.4
54.81342	0.4
55.01805	0.7
55.05455	4.2
56.96527	0.5
57.03363	2.0
57.07011	4.4
62.98438	0.4
65.03876	0.4
67.05428	14.0
69.03344	2.7
69.06988	2.1
71.04915	0.7
71.08525	0.5
72.08077	1.7
79.05411	5.4
80.04928	2.6
81.03319	0.8
81.06976	24.6
83.04905	1.6
85.02831	100.0
85.06461	1.9
85.10087	0.5
87.87144	0.4
91.05409	8.6
92.10892	0.6
93.06966	6.7
95.04900	3.2
95.08535	33.1
98.21761	0.4
101.00842	1.9
104.06135	0.4
105.04454	1.0
105.06967	8.9
107.04921	2.0
107.08549	4.4
109.06470	3.0
109.10107	8.8
111.04401	0.9
113.05956	2.8
117.06953	0.6
119.01899	7.1
119.04916	2.3
119.08530	12.2
120.08056	1.0
121.06474	1.1
121.10100	7.7
122.09633	6.0
123.04420	0.5
123.08040	6.0
123.11662	52.7
125.05949	6.0
126.09332	0.4
129.06934	0.7
131.01874	1.6
131.08539	2.1
133.06467	1.0
133.10115	4.1
135.11678	2.0
137.02933	3.3
137.09631	0.6
141.05420	0.4
142.03410	0.5
143.01894	2.9
143.08575	1.9
145.10156	2.2
146.10951	0.5
147.04462	0.9
147.08040	4.6
147.09132	1.0
147.11673	4.9
149.09607	7.4
151.07565	1.9
153.00914	0.5
156.09352	0.5
160.04526	0.7
161.02953	3.4
161.09610	6.3
161.13260	1.6
164.11826	1.8
165.09157	0.5
165.12729	0.7
173.02994	0.4
175.03899	0.8
179.10660	0.8
181.14467	2.2
189.09023	2.9
189.12662	4.4
207.06514	1.9
207.10002	0.6
207.13768	11.1
225.11195	1.4
225.13411	2.3
225.15204	0.6
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
55.05452	27.5
56.96488	13.1
57.07008	27.4
60.95770	4.1
67.05429	60.5
69.06994	21.3
70.06525	2.8
71.04907	2.4
71.08534	13.0
71.95176	4.0
71.98831	2.0
76.56634	2.2
79.05388	12.5
81.06976	70.1
83.08526	9.5
85.10126	2.1
87.86191	2.4
90.31278	1.9
91.05386	13.8
92.10892	4.4
93.06965	12.6
95.04895	2.1
95.07966	3.5
95.08538	69.8
97.10094	5.0
101.00789	2.9
101.94970	70.7
102.96805	11.7
105.00295	2.0
105.06982	3.6
107.08548	3.8
109.10090	19.7
118.98135	2.4
119.01878	100.0
119.04922	1.9
119.08533	9.1
119.96020	53.0
120.01962	3.2
120.97866	26.1
123.07988	1.9
123.11637	11.4
133.10074	2.4
135.77115	2.0
137.01958	3.7
137.02937	73.5
137.97090	57.3
137.99245	3.1
138.03072	2.8
138.98914	32.5
142.03479	28.8
142.55908	1.9
142.73552	2.0
147.11703	3.0
155.98138	41.3
156.99988	5.0
160.04570	16.2
160.98663	11.8
161.02933	3.5
161.04506	2.1
162.00507	3.7
178.99728	14.7
179.04002	29.5
179.17934	2.2
189.16309	3.3
200.63690	2.1
207.17293	2.4
217.34535	2.1
221.07648	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	225.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47014	2.2
55.05458	49.1
56.96499	16.7
57.03362	4.9
57.07012	52.9
60.95773	3.6
67.05428	75.3
69.03373	2.5
69.06981	38.9
71.04923	25.2
71.08550	28.8
71.95171	3.5
74.86387	2.7
79.05403	14.2
81.06977	100.0
83.08529	15.3
85.06438	4.2
85.10090	12.6
91.05389	15.4
93.06971	22.0
95.08535	84.6
97.10110	5.5
101.00844	2.9
101.94970	50.0
102.96807	13.6
105.06968	6.4
107.08538	6.5
109.06425	4.0
109.10110	25.7
119.01875	98.8
119.08534	14.2
119.96020	33.1
120.02015	3.9
120.97868	25.6
123.11658	13.4
133.10110	17.5
137.02936	88.4
137.09669	3.5
137.97101	42.2
137.99251	3.2
138.98932	31.2
142.03510	33.6
147.11696	3.1
149.13177	2.9
155.98137	23.8
156.99986	12.1
160.04573	24.8
160.98679	11.1
161.02925	5.6
162.00574	4.9
169.72139	3.0
178.99712	14.7
179.03986	31.5
189.16347	6.7
197.18965	32.2
201.87471	2.9
202.05698	3.2
207.17485	4.5
210.12633	3.9
215.47156	3.3
225.14813	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	226.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02893	0.2
58.28689	0.1
60.95784	0.2
65.03860	1.4
79.05410	0.3
82.22707	0.1
88.67088	0.2
91.05407	100.0
92.05753	0.2
92.10305	0.3
102.96803	0.8
106.06461	0.2
120.97858	1.5
127.44277	0.2
138.98918	1.7
148.07538	2.0
156.99971	0.4
165.07027	0.3
166.07785	0.9
181.10060	3.6
226.12230	6.6
226.15831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03743	0.6
52.97732	0.6
53.32017	0.6
55.05445	1.1
56.96487	1.3
57.03370	0.8
61.02858	0.8
67.05416	1.3
69.03345	1.5
70.06514	55.5
81.03329	0.8
83.04945	0.7
84.04410	3.5
84.08070	37.6
85.02826	3.2
86.05978	1.5
91.05361	1.1
92.23455	0.6
95.04893	1.4
97.02818	0.8
97.07592	1.3
98.05962	3.3
99.24205	0.6
101.00772	0.7
108.07984	0.6
108.25148	0.6
110.05973	1.2
112.07571	5.8
116.07006	3.0
116.29267	0.6
119.01865	10.5
120.01944	14.3
120.08047	3.3
121.01629	3.1
125.07078	73.9
129.10199	2.5
130.03519	0.8
131.01823	0.7
136.11186	2.9
137.03008	4.6
138.03017	8.2
139.02705	1.3
142.03488	0.8
143.03624	3.9
153.06491	5.8
154.07353	15.9
161.02937	3.7
161.04588	2.7
165.96512	0.7
179.03946	1.2
180.04187	3.6
181.03842	0.8
181.05527	0.7
181.13324	10.9
183.97656	0.8
189.02118	0.6
203.03935	1.0
209.12827	100.0
226.15468	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.88464	1.9
53.62539	1.8
55.01814	3.1
55.05442	10.2
55.82287	2.0
57.03374	2.0
57.07005	12.5
60.51594	2.0
62.62789	2.0
63.70799	1.9
67.05434	44.5
69.03358	2.8
69.06985	10.3
71.04914	28.8
79.05407	52.4
81.06966	15.8
83.04891	12.2
85.05994	4.3
85.06469	96.9
91.05412	38.5
93.06971	51.1
95.04885	4.5
95.08488	4.5
97.06448	4.0
103.05390	3.1
105.06970	37.2
107.04902	20.9
107.08535	62.3
109.06464	10.4
109.10142	2.5
111.04379	12.1
114.80509	2.5
117.06963	14.0
119.08533	24.7
121.06461	25.5
121.10127	37.9
125.05972	9.2
129.06949	10.0
130.07809	3.5
131.08531	100.0
135.07957	2.7
135.11620	3.5
137.09570	12.3
145.10098	47.6
147.08032	4.9
149.05977	3.7
149.09601	89.4
153.05406	3.0
155.07053	2.6
163.07501	2.7
163.11137	23.9
165.09064	12.5
167.06938	2.5
167.10631	22.4
173.09570	12.1
191.10635	48.7
209.11664	33.5
227.12704	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	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.54620	1.5
55.01802	4.9
55.05442	8.8
57.03339	1.9
57.06993	8.6
58.12931	1.6
61.25502	1.5
61.76167	1.9
65.03870	2.2
67.05072	2.6
67.05424	45.1
69.06976	11.3
71.04901	23.5
72.38435	1.8
74.28240	1.6
79.05407	56.2
79.49357	2.4
81.06972	12.9
83.04897	16.1
85.06467	95.1
91.05406	38.7
93.06963	50.2
95.04874	15.0
95.08521	2.3
97.06422	8.8
100.11184	8.0
105.06957	35.2
107.04890	20.9
107.08541	50.8
109.06442	13.1
111.04419	14.1
117.06953	13.1
119.08536	26.6
121.06467	23.3
121.10088	35.7
123.04296	2.7
125.05945	4.1
129.06931	10.9
130.07739	2.0
131.08531	100.0
135.11647	3.9
137.09561	8.9
140.27374	2.0
145.10100	39.8
147.08011	4.8
149.05898	2.5
149.09592	83.2
153.05367	2.9
155.08534	2.0
163.07529	3.5
163.11137	23.5
165.09055	8.7
167.06978	2.3
167.10617	27.2
170.62144	2.0
173.09578	7.9
183.80605	1.9
191.10629	45.4
197.07414	2.1
209.11691	37.2
227.12704	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	227.1277
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03880	3.5
55.01813	14.4
55.05456	39.5
57.03366	2.7
57.07018	3.2
67.05129	2.3
67.05434	36.5
69.03343	2.6
69.06994	20.6
71.04898	6.4
73.02829	2.4
79.05414	56.2
81.03326	11.9
81.06978	37.3
83.04897	10.3
83.08555	15.9
86.88791	1.4
91.05409	17.4
92.10970	3.2
93.03358	1.9
93.06975	84.2
95.04896	20.9
95.08534	83.2
95.09150	2.2
97.02814	6.4
97.06477	7.7
97.10094	1.6
99.04379	9.2
100.11195	10.2
103.05429	2.2
105.06992	13.1
107.04910	17.6
107.08538	55.5
109.06445	2.5
109.10078	2.0
111.04359	2.2
117.06974	18.2
119.08527	17.5
121.01644	2.3
121.06452	11.0
121.10090	18.9
125.05966	3.7
130.07747	3.8
133.10117	2.3
135.08020	3.5
135.11661	69.8
139.07509	1.9
143.08577	1.7
145.10114	45.3
163.11142	74.2
181.12187	15.2
209.11787	2.0
227.10486	3.5
227.12743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01814	19.3
55.05456	31.9
57.03374	3.3
57.07015	2.7
62.45868	1.6
67.05432	23.3
68.99713	14.0
69.03340	7.9
69.06979	11.2
71.04910	3.0
79.05415	21.8
81.06980	36.3
83.04894	40.8
83.08038	2.0
83.08540	54.5
85.06475	3.1
85.10091	4.5
90.38523	1.8
91.05412	38.3
93.06973	32.1
95.04900	40.7
95.08548	3.8
97.06471	9.1
99.04376	2.3
100.11185	24.7
101.02306	2.9
105.06945	8.1
107.04851	2.9
107.08543	60.4
107.09193	2.1
109.06470	49.4
109.10105	11.4
111.04391	45.3
111.08034	100.0
117.06955	2.2
119.03365	9.2
119.08548	4.6
121.01659	2.9
121.10093	13.0
125.09602	15.8
129.05501	2.7
131.08492	8.5
135.08011	10.3
135.11642	3.0
137.05930	10.9
145.10127	8.7
145.15593	1.8
149.09595	13.0
151.07536	4.4
153.09088	42.3
153.12709	14.1
155.06970	4.1
163.11165	12.6
167.06943	2.1
169.08580	43.7
173.09554	2.6
181.12207	14.4
185.11716	9.8
191.10651	11.1
193.97763	1.8
195.10129	38.7
209.11748	4.3
227.12614	3.3
227.17514	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	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.01800	2.4
55.05452	16.8
56.29787	1.4
57.03376	14.8
57.07006	8.8
59.04940	3.6
59.06717	1.6
65.03885	1.7
65.14269	1.5
66.07111	1.4
67.05422	19.5
69.03348	7.2
69.06984	19.0
71.04908	27.9
73.06464	1.8
79.05399	23.8
81.06983	36.5
83.04903	10.4
83.08535	8.0
83.31546	1.9
85.02849	1.8
85.06462	22.5
91.05422	27.5
93.06978	43.8
95.04897	100.0
95.08523	19.1
97.06461	36.7
99.04378	10.1
99.08023	29.4
100.11175	16.3
101.21573	1.7
105.06978	40.2
107.04887	2.7
107.08533	38.8
109.06466	58.6
109.10110	13.7
111.04388	2.0
111.08007	6.3
113.05945	3.6
113.09604	2.6
114.09071	2.3
115.07502	8.2
117.06978	7.0
119.01875	2.4
119.08531	22.6
120.01103	1.7
121.06429	3.3
121.10105	32.8
123.07994	8.5
123.11655	9.0
125.05968	2.1
125.09562	6.6
127.07500	10.8
131.08524	27.8
133.10089	52.7
135.08006	10.7
135.11690	7.6
137.03000	1.7
137.05913	1.8
137.09561	5.7
139.11145	7.5
145.10095	12.9
147.11671	22.3
149.05910	2.1
149.09586	16.9
149.13242	8.4
151.11151	3.3
153.09055	18.5
158.10887	3.4
163.11153	4.2
163.14760	7.7
167.06990	2.2
167.10611	6.6
171.10136	6.4
172.56082	1.6
173.13219	16.2
181.02742	1.6
191.10658	8.5
191.14262	10.1
209.11703	6.8
209.15283	16.0
210.32387	2.0
227.12816	2.6
227.16280	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	227.1753
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
50.88219	0.4
55.05452	19.7
65.91718	0.4
83.08537	10.4
83.39330	0.4
100.11188	100.0
101.50274	0.5
102.63956	0.4
106.84403	0.5
139.08691	0.4
166.28024	0.5
209.16466	10.1
212.41681	0.5
215.42194	0.4
223.97635	0.4
227.17513	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	227.2005
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
53.00253	3.2
54.81463	1.3
55.05451	66.8
57.03377	2.6
57.07011	46.2
58.91334	1.5
63.18840	1.4
64.78822	1.3
67.05437	22.8
69.06989	100.0
71.04926	2.8
71.08544	17.9
73.06464	1.9
79.05408	17.0
81.06976	29.4
82.35579	1.5
83.04893	8.1
83.08540	43.9
85.06480	2.1
85.10114	7.9
91.05423	2.0
93.06968	26.5
95.08524	28.2
97.06465	15.4
97.10095	15.9
100.11182	10.3
104.99223	4.1
107.08536	21.1
108.25697	1.7
109.10107	10.7
111.08024	8.3
111.11658	7.1
114.37029	1.8
121.01642	3.3
121.10120	13.6
123.11671	2.4
125.09621	8.8
135.11673	20.2
139.02673	3.5
139.11212	6.8
144.03270	2.0
149.13226	6.7
191.17924	19.5
209.19048	8.2
227.15460	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	227.2004
Annotation	butyl 9-decenoate
Peak:m/z	Relative Intensity
55.01786	2.9
55.05231	3.1
55.05456	70.6
57.06762	3.9
57.07013	52.1
67.05430	30.7
69.06988	100.0
71.08546	23.1
79.05393	19.4
81.06980	30.9
83.08538	44.2
85.10111	4.4
91.05373	3.9
93.06974	25.2
95.08534	25.0
95.46588	2.9
97.06463	15.8
97.10137	25.4
100.11216	26.6
107.08557	25.4
107.82423	2.4
109.10093	16.8
111.08030	11.8
111.11655	10.9
112.51425	2.9
113.06020	2.8
120.97882	5.1
121.01621	13.8
121.10104	19.3
121.98136	2.6
123.08100	2.9
125.09612	4.7
135.11664	19.2
138.98923	3.8
139.02701	6.5
139.11172	3.6
144.03264	4.4
149.13277	5.4
153.12711	6.8
158.95570	2.5
161.36638	2.4
161.61124	2.7
170.17622	2.6
187.06955	3.4
191.17941	26.7
227.15749	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	228.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01811	1.4
55.05452	1.3
56.96500	10.3
58.01136	0.6
58.57787	0.6
61.02831	0.6
64.33179	0.6
67.05427	0.6
70.06506	7.7
72.08060	1.4
82.06448	0.7
84.04416	7.7
84.08064	4.4
85.02819	1.7
86.04635	0.7
86.09602	0.9
91.05410	1.1
92.10298	0.8
95.06042	0.7
98.97501	3.8
99.09142	0.8
110.07115	2.8
112.07532	1.2
116.07030	5.4
116.98560	3.8
121.01638	1.1
127.08664	1.3
134.99623	1.2
139.03899	1.3
141.66597	0.7
156.03290	29.2
168.03320	3.0
174.04352	100.0
183.14880	0.9
184.59055	0.7
186.04346	36.7
192.05400	33.7
197.05994	1.5
204.05405	65.3
211.14352	1.7
222.06503	5.8
227.06917	1.3
228.05247	5.0
228.17027	0.9
228.23190	1.5
246.06470	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	228.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	45.3
56.11119	0.7
57.03374	1.0
57.06995	5.7
58.20490	0.8
63.16173	0.9
63.29250	0.9
63.48474	0.8
67.05429	58.6
67.61877	0.7
69.06988	21.8
71.04899	3.8
77.60853	0.8
79.05413	8.3
81.06519	2.0
81.06981	58.0
83.08101	1.4
83.08546	25.3
85.06460	4.3
90.23019	0.9
91.05399	6.1
93.06976	8.7
95.08539	100.0
97.06451	4.3
97.10108	10.2
99.34341	1.0
105.06927	1.4
107.08523	5.3
109.09399	1.8
109.10108	42.3
111.07999	1.7
111.11539	0.9
112.78469	1.1
119.08562	7.3
121.10053	1.1
123.11643	4.0
133.10098	6.9
135.11618	1.4
137.09590	1.9
147.11639	4.3
149.13228	1.6
151.14813	1.5
163.70511	0.9
169.39549	0.9
174.63210	1.0
175.14795	13.9
193.15884	8.9
211.16893	2.2
228.19528	4.5
228.23143	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	29.3
55.01804	5.8
55.05437	1.9
56.96502	3.5
57.03362	2.6
60.95742	1.4
61.83465	1.2
61.88859	1.2
64.13595	1.2
64.33692	1.9
67.05415	8.4
68.31046	1.4
69.03334	7.1
69.06976	2.5
71.04906	11.0
79.05393	2.3
81.03333	100.0
81.06991	2.6
83.01252	1.8
84.95956	1.4
85.02830	5.8
89.55721	1.4
90.71458	1.2
91.05386	3.2
95.04874	2.0
95.08546	2.5
97.02823	8.5
99.04382	36.5
109.02821	46.4
109.03524	2.2
109.10138	1.8
127.03867	63.7
129.06934	2.0
133.10123	2.1
145.04929	9.6
146.91801	1.9
147.11667	1.7
164.92686	1.5
165.12724	1.7
174.52554	1.4
228.23073	2.5
229.07149	1.7
238.13736	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68451	0.3
55.05453	0.6
56.04975	0.5
56.96500	2.2
58.70917	0.4
69.06994	15.9
70.06516	55.0
72.08078	11.0
78.73964	0.4
84.04428	11.4
86.09634	100.0
90.85374	0.4
92.10254	0.4
101.01134	0.4
111.05562	0.5
116.07050	92.2
116.98575	0.6
118.08614	3.0
138.09076	0.5
183.07607	1.8
183.09209	0.5
183.11243	5.1
191.31183	0.4
217.81384	0.5
223.97188	0.4
229.09790	0.6
229.11890	0.7
229.15445	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	229.1432
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
50.32457	1.6
55.01804	12.9
55.05442	13.7
57.03356	2.2
67.05425	37.7
69.03342	2.9
69.06991	17.4
71.04909	3.2
74.09226	1.6
79.05396	19.4
81.03321	4.0
81.06967	96.9
83.04876	7.4
83.08525	10.8
85.06468	4.3
86.64654	1.7
91.05405	41.8
92.10198	5.4
93.06980	15.1
95.04878	9.5
95.08539	15.7
97.06447	19.5
99.04375	3.1
99.08000	2.3
100.39318	1.6
105.06973	51.1
107.04882	2.2
107.08514	11.8
109.02859	2.3
109.06455	18.3
119.08524	45.1
121.10082	22.9
123.07951	2.9
123.11639	36.1
127.03858	8.1
129.06978	18.3
131.08530	8.5
133.10101	16.6
136.47974	2.0
147.08067	1.9
147.11656	100.0
148.12027	1.8
149.09581	3.8
157.10077	33.1
165.12708	33.4
175.11145	27.2
193.12170	8.0
211.13463	2.1
229.14304	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.64502	1.0
55.01793	1.3
55.05441	5.7
56.96486	1.1
57.07003	1.3
65.21482	1.1
67.05425	22.9
69.06990	14.2
71.04550	1.9
71.04912	41.9
71.08569	1.2
79.05407	25.2
81.06982	26.5
83.04900	8.7
85.06462	6.1
91.05401	63.0
91.05950	2.5
93.06964	18.0
95.04901	9.9
95.08517	2.6
105.06970	48.7
106.78492	1.1
107.04967	1.9
107.08512	8.5
109.06476	19.6
109.10055	2.7
113.05950	1.6
113.67574	1.2
119.08529	16.0
121.10115	5.9
123.07993	4.7
125.05930	3.0
127.07414	1.3
129.06964	1.6
131.08569	11.8
133.06464	4.9
133.10094	100.0
137.05905	4.4
142.07787	2.2
145.10078	2.3
147.07997	5.6
147.11659	23.2
149.09612	6.0
151.07544	2.2
151.11157	26.3
155.06952	7.1
157.10092	2.4
175.11142	15.1
184.08659	5.6
184.32913	1.4
192.68817	1.6
193.12204	22.8
205.99500	1.2
211.13194	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	229.1434
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.72248	0.7
55.05447	7.5
56.96491	3.5
57.03347	1.1
57.07010	0.9
62.50572	0.7
62.70996	0.7
64.33733	0.9
64.34061	0.8
67.05427	26.7
69.06996	7.1
70.02869	0.8
70.06532	0.8
71.04907	78.2
79.05405	32.4
79.50938	0.9
81.06966	22.8
83.04886	8.6
85.06488	2.8
87.04390	4.9
91.05404	95.7
93.06976	16.4
95.04887	6.8
95.08537	3.8
96.08052	6.0
97.06453	4.3
103.05424	1.4
103.23316	0.8
105.06974	50.9
106.41217	0.8
107.04895	3.7
107.08522	9.9
109.06466	5.5
109.10094	1.3
115.05421	0.8
117.06941	0.9
119.08533	20.2
121.06464	1.1
121.10087	8.9
123.08031	3.4
124.07555	6.9
125.05926	5.9
129.06969	4.7
131.08530	16.4
133.06442	11.3
133.10091	100.0
137.34099	0.9
145.10104	4.4
147.08028	16.1
147.11662	24.9
149.09615	12.2
149.13264	1.6
151.11122	9.6
157.10062	4.3
165.12709	1.8
170.08110	7.1
175.11151	27.3
191.81003	0.9
193.12199	29.6
211.08733	0.9
211.13237	4.6
229.14192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01798	0.5
56.96490	0.9
57.03365	0.4
58.06269	0.6
58.06538	11.0
58.54305	0.4
59.07312	2.2
60.08103	11.2
65.25003	0.5
68.04946	2.0
68.08035	0.4
70.06515	68.4
71.80986	0.5
72.08051	0.8
82.50361	0.5
84.08045	0.6
85.44962	0.5
86.40914	0.5
88.13023	0.5
92.10879	0.6
96.08039	3.2
98.05965	0.8
98.97507	1.0
110.07065	0.5
114.05475	7.3
114.09108	3.4
116.07042	0.9
116.98579	0.8
124.07562	5.6
126.09096	1.1
133.56288	0.4
134.99617	1.8
140.99323	0.4
142.08621	56.0
157.88524	0.5
162.50589	0.5
170.08099	2.3
173.82587	0.5
177.60231	0.5
229.15443	100.0
230.15623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84242	0.3
53.03896	0.3
53.85495	0.3
56.96497	0.4
58.99223	0.5
58.99518	15.3
61.32138	0.3
69.12045	0.2
70.06503	1.6
80.04920	0.6
83.83375	0.3
86.09630	1.3
86.98975	10.2
95.04900	0.4
100.77857	0.3
105.00032	3.9
108.04378	0.3
116.07037	0.4
126.05473	100.0
126.74156	0.3
127.05818	0.6
147.01112	0.3
151.22305	0.3
158.02689	1.1
194.76523	0.4
200.39897	0.3
224.21207	0.3
230.04779	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	230.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84242	0.3
53.03896	0.3
53.85495	0.3
56.96497	0.4
58.99223	0.5
58.99518	15.3
61.32138	0.3
69.12045	0.2
70.06503	1.6
80.04920	0.6
83.83375	0.3
86.09630	1.3
86.98975	10.2
95.04900	0.4
100.77857	0.3
105.00032	3.9
108.04378	0.3
116.07037	0.4
126.05473	100.0
126.74156	0.3
127.05818	0.6
147.01112	0.3
151.22305	0.3
158.02689	1.1
194.76523	0.4
200.39897	0.3
224.21207	0.3
230.04779	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	230.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	9.0
56.04977	0.6
56.96486	2.1
65.10980	0.3
65.93946	0.3
67.05428	1.3
67.11106	0.4
68.04946	2.6
69.06981	1.7
70.02856	2.4
70.06509	0.9
71.04911	2.7
72.08075	3.4
79.05416	5.7
81.03300	0.4
81.05714	1.9
81.06969	1.5
82.02866	0.6
82.06498	12.2
84.08039	0.4
86.98961	0.5
91.05405	1.4
93.07005	0.3
94.06489	8.5
95.08538	0.9
96.08053	45.1
97.06450	0.9
98.97493	0.8
101.05929	0.5
105.06990	0.7
107.08478	0.5
116.98580	0.6
124.07548	100.0
126.05437	0.6
127.03238	1.3
134.10489	0.3
134.99597	0.7
142.08612	13.7
166.15858	1.4
170.08080	43.6
177.09029	0.5
178.35484	0.4
184.16940	7.3
230.10110	3.9
230.17438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2477
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
50.37865	3.3
55.05442	6.2
57.07003	27.1
62.06009	19.2
69.06975	18.6
70.34614	3.6
71.08533	23.7
79.05363	3.7
79.95871	3.5
81.03346	3.9
83.08491	5.3
93.06963	3.5
95.08540	5.0
97.10092	3.2
99.43510	3.5
100.74129	3.1
113.67178	3.8
156.17424	22.8
170.72023	3.3
174.18501	100.0
177.16298	6.1
201.53946	3.7
230.24783	95.6
236.31825	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	230.2476
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
51.14685	0.7
57.06739	1.2
57.07009	31.4
58.06535	1.8
62.06018	16.8
71.08552	11.2
71.10850	0.8
80.95918	0.8
85.10091	3.6
92.10950	2.4
104.21777	0.9
112.25958	0.8
212.23723	10.1
230.24739	100.0
231.25085	1.1
232.63029	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	0.6
56.04973	0.9
56.96493	1.9
57.03358	0.4
63.24057	0.4
67.05407	0.6
69.03337	0.8
69.06992	0.5
70.06501	2.0
71.08515	0.4
74.02354	11.6
79.05410	0.4
81.03320	0.9
81.06998	0.5
83.04877	0.5
84.08059	0.9
85.02824	1.0
86.09630	0.8
91.05399	2.8
92.10846	0.5
95.04877	0.7
98.97503	2.3
102.05457	1.8
104.04913	0.7
109.32671	0.5
110.94624	0.5
115.05379	0.9
116.98581	1.9
117.05699	1.1
117.06968	2.3
118.06495	5.3
119.01874	0.8
129.06975	0.9
130.06497	20.1
131.08586	0.8
132.04396	2.8
132.08055	0.7
132.95853	0.5
134.99623	0.6
138.45781	0.5
141.06964	2.4
142.06566	0.5
143.07286	22.8
144.08066	8.3
145.06479	0.6
146.05997	15.2
146.99660	0.5
150.34329	0.4
150.96884	0.6
154.06502	11.2
155.07233	0.6
156.08037	4.7
157.08850	5.8
158.09624	100.0
159.10092	0.8
162.96939	0.5
167.07291	2.2
168.08054	27.5
169.08739	1.8
170.05988	0.8
170.09628	1.6
171.08380	0.6
172.07533	2.6
173.05800	0.5
185.10742	3.5
186.09076	2.0
188.07043	12.6
196.07574	2.5
213.10089	0.6
214.08598	13.7
214.10553	0.8
231.11279	13.8
237.02362	0.5
244.31953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1703
Annotation	H-Val-Ile-OH
Peak:m/z	Relative Intensity
54.81961	0.5
55.05454	12.8
56.96507	4.7
57.03378	0.5
57.05749	0.6
60.04454	0.8
62.02448	0.5
63.19894	0.5
69.03345	1.1
69.06981	2.2
70.06514	3.9
71.05867	0.5
72.08070	100.0
80.04941	0.5
83.74775	0.4
84.04416	0.9
84.08064	6.0
85.02837	2.1
86.09628	86.2
87.09982	1.9
90.05495	0.9
91.05390	1.6
97.02853	0.5
98.97530	2.6
107.04884	0.6
114.37790	0.6
116.07049	0.7
116.98589	2.1
118.08636	1.1
119.01835	1.8
128.98587	0.7
130.06505	2.5
130.08658	0.5
132.10152	4.2
134.99637	1.0
135.52858	0.5
142.03552	0.6
142.06636	0.5
146.99660	1.1
147.04413	2.9
159.09071	1.0
163.04248	0.5
165.00633	0.5
185.16443	2.0
186.09142	0.7
188.06917	0.6
208.99722	0.7
219.01701	0.6
219.57076	0.6
231.16966	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	232.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70441	0.8
55.05463	1.2
56.04965	2.1
56.96492	2.0
57.03358	1.3
58.06529	1.3
58.75895	0.9
61.01069	5.3
69.03332	1.0
69.07000	11.9
70.06493	6.2
72.08053	6.8
80.31511	1.2
84.08060	6.4
86.09628	93.7
87.02618	1.0
97.02827	2.0
97.06470	10.2
98.97492	2.0
100.11226	1.0
100.27511	1.0
101.00794	10.9
104.05271	1.5
116.98580	4.3
118.03483	9.4
119.01875	100.0
129.10196	1.5
130.03441	5.1
131.01903	4.1
132.10153	1.5
134.99672	1.4
136.04521	1.8
137.02934	58.6
144.05075	6.9
148.04579	1.2
149.02866	1.5
156.05026	1.5
162.06064	1.1
162.09726	5.0
172.04529	4.3
172.08205	1.1
173.06610	1.6
175.04486	1.5
186.09715	49.2
191.03978	1.7
191.07651	1.9
197.06566	1.9
197.36685	1.1
201.78993	1.1
202.05597	1.4
204.10788	39.2
205.03758	4.1
214.09216	21.1
214.14413	1.1
215.07649	4.4
232.04973	3.9
232.10258	97.2
233.03293	4.2
233.08626	3.9
248.80504	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53958	0.4
55.05442	2.0
55.99113	0.4
56.96492	0.7
57.07012	11.4
58.06523	0.8
58.99509	3.3
67.05415	2.2
67.33205	0.5
69.06973	3.3
70.06142	0.9
70.06512	21.7
71.08550	5.1
76.02137	0.5
85.10114	2.6
86.05946	0.6
86.98972	2.1
87.02612	0.9
88.07555	31.2
91.05412	14.4
92.10317	1.0
94.46670	0.6
102.09117	8.6
106.08615	13.7
128.14331	2.2
130.06555	0.5
137.43706	0.5
137.82155	0.5
158.09639	3.8
159.05548	0.7
170.19112	0.6
183.83185	0.5
186.09116	10.1
187.05072	0.8
188.20064	2.2
205.06071	4.1
214.21648	10.0
215.10973	0.8
232.13646	3.0
232.22672	100.0
233.09113	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	233.042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93309	79.1
55.55382	80.4
57.13626	89.3
58.18784	77.3
60.60265	79.7
69.99635	92.2
74.40829	76.3
77.39217	74.9
90.34906	95.6
94.81087	83.8
105.56050	86.4
175.00908	100.0
187.92206	97.3
243.93971	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	40.4
60.90405	42.4
61.46289	35.6
72.08058	56.0
85.02842	65.2
102.30901	46.3
104.90116	43.1
119.01881	100.0
124.97013	41.0
128.76682	43.4
161.02892	49.3
166.77315	46.6
234.04515	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63805	1.1
55.94304	1.1
56.04979	21.3
57.07010	17.9
58.06527	11.8
60.04437	2.8
69.06956	1.2
71.08558	9.9
74.05988	19.3
86.05971	2.0
88.07549	73.1
88.38706	1.1
92.63763	1.2
118.08610	11.9
122.08094	9.2
126.94596	1.2
186.18497	98.6
187.18930	1.5
216.19629	2.5
234.20592	100.0
235.20920	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	235.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72877	0.6
56.96499	1.3
57.03399	0.8
59.50418	0.7
91.05399	1.2
95.62183	0.7
98.97510	2.8
105.06991	0.8
108.30370	0.6
116.98565	3.2
117.05708	3.3
117.06996	1.1
118.06501	1.2
125.85156	0.7
128.06143	6.2
129.06961	58.9
130.06477	8.0
130.43106	0.7
131.07274	4.6
131.08478	0.6
132.08038	14.9
143.07294	2.7
144.08064	72.7
145.06436	1.2
146.05959	0.8
146.09612	8.0
154.06482	21.9
155.07216	3.0
156.06795	5.1
156.08049	53.3
158.08397	1.3
161.63867	0.6
170.08340	0.8
171.09131	100.0
173.10709	34.1
181.02910	0.9
209.82672	0.7
216.72954	0.7
217.09689	40.8
235.02078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1112
Annotation	Leu-Cys
Peak:m/z	Relative Intensity
52.52710	0.4
52.84399	0.5
55.01797	0.5
56.04973	0.6
56.96499	2.3
57.06999	0.5
58.06491	0.5
61.89274	0.5
67.05451	0.8
69.03344	1.2
69.06987	0.9
70.06507	5.3
72.23278	0.6
74.05979	2.0
75.06321	0.5
76.02147	2.7
80.43805	0.4
81.03373	0.5
82.05233	2.0
83.04938	0.5
83.06031	0.9
84.04426	2.0
84.08072	2.4
86.09628	100.0
88.03918	0.5
90.05461	0.8
91.05379	0.7
92.10312	0.6
93.04493	0.7
95.04899	0.8
95.06025	0.6
97.01675	0.4
98.97520	2.0
107.08482	0.5
110.07114	12.4
111.04375	0.5
113.94426	0.5
115.05421	0.9
116.98572	2.1
118.06586	0.5
119.01917	0.9
130.06505	0.8
130.39539	0.5
131.71155	0.5
132.08083	2.6
134.99643	0.8
137.02942	0.6
139.01785	1.1
156.07637	0.7
159.09122	0.6
162.06453	0.5
170.05933	3.7
181.02824	1.0
194.65373	0.5
204.31207	0.5
217.10442	0.5
235.11458	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	235.119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04962	0.5
56.47304	0.4
56.96503	1.9
60.05583	0.5
69.03347	0.7
70.06510	35.8
72.08042	0.6
81.04462	3.7
81.22508	0.4
82.05244	16.4
83.06025	5.2
83.95142	0.5
84.08074	0.6
86.09628	3.0
88.02139	1.1
92.10325	1.0
93.04447	3.8
95.06009	2.4
97.02820	0.6
98.06004	1.0
98.97514	0.5
103.24982	0.4
110.07115	100.0
112.08663	0.5
113.05908	0.5
120.06608	0.4
121.03947	2.0
122.07083	0.5
123.05500	1.0
125.07114	0.6
136.06160	0.8
137.07069	0.8
138.05591	0.6
138.06599	3.0
141.34959	0.4
149.07072	1.0
154.07326	1.8
162.10237	11.9
166.06078	3.9
172.95149	0.8
189.03513	0.5
190.09703	0.8
190.96167	0.5
207.12404	6.6
217.10811	3.1
235.11856	71.7
236.12190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Caulolactone B
Peak:m/z	Relative Intensity
51.02291	1.0
53.03879	5.9
55.05452	2.3
57.16343	1.0
57.28275	1.1
67.05435	19.2
69.06984	1.6
79.05412	31.1
81.06964	6.7
88.58450	1.1
91.05411	53.0
93.06976	100.0
95.04904	17.3
95.08562	2.4
105.04458	2.9
105.06980	6.1
107.08537	12.8
119.08507	1.9
121.10104	10.1
133.10092	5.4
153.66525	1.2
157.10225	1.6
168.57620	1.2
175.14738	1.4
200.20357	1.2
235.16846	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	235.1692
Annotation	(3E,12Z)-Laurediol
Peak:m/z	Relative Intensity
51.02320	0.8
53.03891	7.0
55.01809	0.5
55.05446	2.3
57.07020	0.5
65.03853	0.5
67.05080	0.7
67.05434	19.4
69.06988	1.9
70.26768	0.4
71.04921	0.7
72.85303	0.4
77.03839	0.6
78.04620	0.5
79.05415	23.3
81.06984	6.3
83.08538	0.4
91.05414	54.8
91.53168	0.4
93.06978	100.0
95.04902	20.3
95.08553	3.8
105.04461	3.9
105.06984	3.7
107.08537	6.2
107.59203	0.3
109.06503	0.5
109.10133	1.4
117.06997	1.5
119.08539	2.8
121.10123	8.1
131.08551	1.4
132.70355	0.4
133.10118	2.9
135.08003	0.5
135.11690	1.8
143.08559	0.6
147.11674	0.5
164.94301	0.4
199.14851	0.9
217.16089	0.5
235.16864	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	236.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30485	2.5
58.75748	3.3
71.49683	3.0
73.05750	3.3
87.21312	3.0
92.63581	3.3
98.84634	3.6
99.20815	3.1
104.10674	95.8
105.11031	6.7
149.01103	100.0
162.04253	42.3
162.08249	3.2
162.35240	3.6
176.05826	19.7
177.06580	12.7
185.97287	2.9
189.05995	3.8
192.08849	5.2
236.07910	96.7
255.43810	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	236.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49754	0.7
50.57595	0.8
55.01810	8.8
55.05447	4.3
56.04961	5.5
56.96504	6.0
57.03364	3.3
58.06535	17.5
58.99508	3.5
59.07281	1.1
60.08091	0.7
64.92738	0.8
67.05419	1.7
69.03347	1.5
69.06988	100.0
70.06145	1.2
70.06512	23.6
70.07307	0.9
70.23564	0.7
70.58084	0.7
71.04923	1.1
73.02846	1.7
73.06464	15.2
73.07569	1.0
76.02127	1.7
78.43523	0.8
79.05393	1.9
81.03337	1.2
83.04896	1.2
85.02816	1.6
85.07597	4.9
86.09655	1.2
86.98969	1.4
87.02609	9.9
87.04372	1.5
87.09131	3.4
91.05400	1.3
94.06470	1.3
95.04874	0.8
95.27443	0.9
97.02863	0.9
97.06472	29.5
98.97533	9.2
99.09151	17.0
101.04189	1.7
105.00027	1.7
106.06507	1.4
107.04884	0.9
109.02788	1.5
110.07124	1.2
112.61526	0.8
115.07497	16.0
116.98558	13.8
117.05692	1.0
118.06502	7.5
120.04427	1.9
120.08084	1.5
124.70144	1.0
127.03861	5.2
129.03618	1.0
130.06487	1.6
131.07021	0.8
132.08060	5.7
134.99629	20.9
138.05487	1.0
144.04399	3.4
146.06009	1.1
146.98024	1.1
147.04323	1.0
148.03905	4.3
150.05478	26.9
153.00674	4.0
162.05492	1.4
164.07022	23.4
165.09065	1.2
176.07018	14.4
177.00641	1.4
178.07385	7.8
190.95242	1.8
193.09659	8.6
201.00655	1.4
205.09828	1.5
218.08488	1.2
219.06813	17.5
219.11282	8.6
236.09305	4.0
236.14987	8.7
236.16844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1279
Annotation	10-Hydroxydarlingine
Peak:m/z	Relative Intensity
51.02321	0.3
53.03885	3.8
53.64000	0.3
55.01804	0.4
56.04990	0.3
56.96489	0.5
57.03368	0.6
58.06528	0.5
59.07315	0.6
65.75554	0.4
69.06986	0.8
69.36102	0.4
81.03330	0.7
86.09633	7.3
95.04897	11.9
105.03339	100.0
105.04486	2.5
122.14648	0.4
179.49142	0.5
190.12221	8.8
219.52278	0.4
235.95677	0.4
236.14807	3.3
249.67195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72903	2.4
55.01813	2.3
56.04968	17.4
56.45327	2.0
56.96513	3.1
58.06266	3.6
58.06530	60.8
64.03416	2.1
68.16986	2.2
69.06985	29.1
70.06141	3.2
70.06508	72.6
73.06493	3.8
73.07561	5.1
76.02106	3.0
76.40865	2.4
79.05404	3.4
82.17901	2.2
85.07583	27.2
87.09143	5.9
88.43353	2.1
91.05396	3.7
97.06470	5.1
97.07626	2.6
98.97503	4.7
99.09147	62.7
106.06511	5.4
115.07531	3.6
116.98595	5.5
117.05687	6.0
118.06487	26.9
120.04449	10.5
120.08064	5.8
130.06514	3.6
132.04457	2.7
132.08054	22.6
134.05960	3.4
134.99547	3.4
138.05495	4.1
144.04388	4.8
146.06070	2.8
148.03929	16.5
150.05476	100.0
162.05449	10.3
164.07024	95.2
176.07039	42.9
178.07318	21.5
193.09677	28.0
205.09811	3.7
207.65053	2.5
218.12724	2.9
219.11250	28.7
236.14008	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	237.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	0.2
56.65180	0.2
56.96500	1.7
61.04279	0.2
62.14198	0.2
66.98924	0.2
67.05431	0.4
69.06985	0.4
71.27872	0.2
73.87366	0.2
77.03823	0.2
79.05397	1.1
81.06959	0.3
83.04924	0.2
87.04379	0.2
90.72344	0.2
91.05378	0.2
95.04911	0.4
95.08517	0.5
98.97518	0.2
103.05406	12.9
103.06087	0.5
104.05683	0.3
105.03343	0.2
105.06944	0.2
107.08524	0.8
109.10069	0.3
129.06993	0.2
129.33180	0.2
131.04892	36.1
134.99623	0.5
159.04385	100.0
160.04709	0.8
165.58408	0.2
172.98892	0.2
187.03914	0.3
191.08382	0.3
201.80809	0.2
205.04929	3.3
219.06482	0.4
237.10892	0.3
237.15117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0866
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
50.51412	0.4
53.13910	0.5
65.03860	0.4
65.72672	0.4
66.52138	0.5
70.06511	0.4
74.02360	7.9
75.36239	0.4
84.08067	0.9
91.05404	3.2
94.06493	10.5
96.44489	0.5
98.97509	8.5
99.00735	3.4
103.05434	0.5
104.04932	2.7
108.17896	0.4
110.06010	0.6
116.98564	9.6
118.06497	20.2
120.04408	6.9
120.08062	25.6
122.05967	0.7
128.04886	4.6
130.06505	8.2
131.04803	0.5
132.04414	6.6
133.05200	0.5
134.99643	5.8
136.07553	16.3
136.08540	0.8
143.07233	0.6
144.08087	2.4
146.05989	100.0
147.06332	0.9
148.03922	13.8
150.05481	4.4
153.00665	0.6
156.04379	3.5
157.07585	3.7
158.06017	2.7
159.09212	0.6
164.07037	2.4
166.08607	8.6
171.57256	0.6
171.88974	0.5
174.05472	18.3
174.06868	0.9
177.00716	0.6
187.82039	0.6
191.08183	3.1
192.06526	6.0
195.01779	2.0
202.04958	6.4
203.08040	0.7
220.06013	2.5
220.08119	0.5
227.55931	0.5
237.08676	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	237.0868
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
54.81287	0.2
56.96498	0.5
57.03369	0.3
60.04411	0.2
69.03345	0.3
70.06510	0.8
71.04896	0.4
74.01978	0.3
74.02352	6.8
74.58461	0.2
76.17661	0.2
81.03333	3.7
84.08046	0.3
85.02845	0.3
85.11108	0.2
91.05390	0.3
92.10857	0.3
98.97501	2.8
109.02822	1.4
116.37963	0.2
116.98600	2.5
118.06470	2.0
128.04922	4.9
130.06482	0.9
132.04439	0.4
134.99619	2.0
141.11372	0.2
146.05984	100.0
146.60509	0.2
147.06325	0.5
148.03920	1.8
158.06032	0.4
172.95303	0.4
191.08073	0.4
219.07646	0.4
237.08638	2.7
242.50641	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	237.0869
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
52.59293	0.5
53.03880	0.7
55.01791	0.7
55.05442	0.8
56.96278	0.6
56.96503	12.0
57.03365	1.5
58.06529	1.1
58.99506	0.7
59.45027	0.6
60.04443	1.2
65.50684	0.6
67.05412	4.0
69.03341	1.7
69.06976	0.8
70.06510	11.0
71.01250	0.8
71.04903	1.7
72.08063	1.1
74.02361	9.8
74.34377	0.7
77.03835	0.7
79.05392	0.7
80.72979	0.6
81.03339	5.2
81.06952	0.8
84.04424	0.9
84.08081	6.5
85.02821	2.7
86.09611	1.1
88.02140	11.9
91.05407	6.3
92.04893	0.9
92.10319	1.4
93.06948	0.7
94.05917	1.4
94.06499	35.0
95.04885	2.6
97.04755	0.7
98.96893	1.4
98.97517	33.6
99.00765	12.0
101.69839	0.6
104.04926	10.3
105.03320	3.2
105.06985	1.0
107.04927	0.8
109.02802	1.7
109.10143	1.4
110.05969	0.7
116.07043	1.6
116.98574	47.8
117.05682	0.9
118.06498	56.1
119.04910	2.5
120.04419	20.9
120.08078	5.0
122.05965	1.7
128.04892	1.7
128.98436	0.7
129.10225	1.4
130.06467	3.0
130.12010	0.8
132.04419	15.4
134.99631	60.4
136.07556	56.2
137.25639	0.7
138.06412	0.7
139.01773	1.2
146.05997	100.0
146.09625	1.5
147.04375	3.8
148.03923	14.8
149.01190	1.2
150.05486	12.2
153.00702	17.0
156.04422	3.0
158.01268	1.4
158.99611	1.0
164.06999	6.9
172.95227	3.3
174.05473	48.7
177.00668	7.5
190.95094	1.3
191.08186	4.9
192.06512	22.2
192.10176	1.6
195.01782	10.1
202.04962	9.6
220.06026	9.5
227.11438	1.2
237.08749	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	237.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	1.2
55.05442	1.0
56.96286	1.2
56.96506	18.0
57.03369	4.3
57.98785	1.2
60.08125	0.9
61.45646	0.9
67.05424	1.7
69.03339	1.7
69.06985	22.1
70.06497	8.2
71.04895	1.3
72.08051	1.2
73.02838	1.0
74.02359	2.0
77.11842	1.0
79.90504	0.9
81.03341	2.6
82.06488	1.1
83.04879	1.3
83.06012	1.0
84.04421	4.3
84.08082	7.4
85.02815	2.0
86.09614	1.7
87.04408	1.3
87.08015	8.1
91.05411	2.0
93.06956	1.8
94.06503	1.9
97.02837	1.3
98.24075	0.9
98.97511	54.7
99.00731	1.1
103.05402	3.7
105.03340	2.3
105.09093	2.0
107.04877	1.3
109.02818	1.3
116.98570	83.4
118.06488	6.6
120.04421	1.6
120.08057	100.0
123.05496	2.3
128.04907	1.6
130.06482	4.5
131.04849	2.4
132.04399	1.6
134.99625	99.9
136.07521	5.6
139.01811	2.5
139.08669	1.3
144.08052	4.6
146.05983	52.6
147.04404	4.1
148.03889	7.4
149.05928	4.0
150.31541	1.1
153.00681	26.3
156.04425	1.9
158.01155	3.7
158.05940	4.2
165.03334	2.3
166.08618	35.0
167.02313	1.3
172.94063	1.8
172.95335	2.4
174.05455	11.2
177.00656	16.1
190.95311	7.7
191.08157	1.8
195.01750	9.9
200.02310	1.2
202.05013	1.7
213.96892	1.4
236.12793	1.2
237.08746	1.8
237.12442	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	237.1482
Annotation	Cuspidiol
Peak:m/z	Relative Intensity
50.96555	1.0
51.07069	1.1
53.03879	1.5
54.81476	1.1
55.01815	19.3
55.05437	6.9
56.61172	1.1
56.96489	5.2
57.03102	1.6
57.03373	39.6
57.07013	1.3
59.04924	2.2
64.50374	1.1
65.03880	1.2
65.37319	1.2
66.91753	1.1
67.05424	12.9
69.03338	6.3
69.06977	8.6
71.04908	20.4
79.05406	41.7
81.06979	25.0
83.04881	1.7
85.06451	7.5
86.00719	1.1
88.78896	1.2
91.05401	50.8
92.63965	1.4
93.06973	44.6
95.04898	8.8
95.08513	13.6
97.06431	2.9
98.97476	2.9
99.04376	10.0
99.08022	6.7
103.05392	2.8
105.06972	86.0
107.04881	7.0
107.08533	33.0
109.06474	19.0
112.63437	1.4
113.05958	1.5
115.05357	5.5
116.06155	2.8
116.98571	4.6
117.06960	45.9
119.08536	61.2
121.06438	4.9
121.10062	10.9
123.08012	8.7
128.06154	1.7
129.06952	16.9
130.07770	1.9
131.08528	51.3
132.08899	1.4
133.06445	11.8
133.10114	11.9
134.99640	2.7
135.08017	33.7
135.11621	1.7
141.06976	1.5
142.07761	2.0
143.08597	1.8
144.05501	1.5
145.06458	5.7
145.10098	29.3
147.08022	66.1
147.11662	1.4
149.09595	100.0
153.09044	1.5
155.08527	10.9
157.10118	7.7
159.08044	5.8
159.11655	55.2
161.09569	7.2
163.11137	22.5
165.09085	11.0
168.09279	2.8
173.09528	2.9
173.13182	12.5
175.11195	1.7
176.55879	1.2
177.00650	1.2
177.09056	1.5
177.12730	2.1
179.10567	2.1
183.11620	9.7
191.14256	6.5
201.12729	26.3
203.74739	1.8
218.63248	1.3
219.13751	55.1
237.14796	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	237.1485
Annotation	Cuspidiol
Peak:m/z	Relative Intensity
51.30794	1.2
55.01820	22.0
55.05443	6.7
57.03376	39.3
58.24356	1.4
59.04931	3.2
67.05431	12.3
69.03357	6.2
69.06988	5.7
69.96098	1.8
70.67998	1.3
71.04910	20.1
79.05410	33.7
79.48927	1.3
81.03339	2.3
81.06977	22.4
85.02849	1.7
85.06470	7.2
91.05408	52.2
91.06294	1.4
93.06404	1.5
93.06977	43.3
95.04898	6.4
95.08536	12.1
97.06439	3.6
97.24638	1.5
98.97520	3.2
99.04394	7.5
99.08070	2.7
103.05375	1.8
105.06974	82.8
105.07655	2.9
107.04906	2.3
107.08540	25.7
109.06473	17.9
113.05988	1.5
115.05410	3.4
116.06228	1.8
116.98582	7.1
117.06977	37.4
119.08536	52.8
121.06482	7.3
121.10098	11.5
123.08034	6.0
123.51878	1.5
128.06184	1.9
129.06963	19.2
130.07813	2.1
131.08530	52.2
133.06474	9.6
133.10120	12.2
134.99629	2.2
135.08031	30.1
141.06915	1.5
143.08531	2.2
144.09305	2.1
145.06505	2.1
145.10094	26.3
147.08026	65.4
149.08401	3.2
149.09601	100.0
150.65170	1.4
155.08572	10.1
157.10143	9.3
159.08028	3.0
159.11656	45.5
161.09607	1.7
163.11166	19.1
165.09073	9.2
168.09354	3.3
172.01663	1.6
173.09789	1.5
173.13280	13.5
175.11098	4.8
177.00684	1.4
177.09038	1.6
177.12730	2.9
183.11684	8.8
191.14285	3.1
201.12714	23.4
209.34964	1.5
219.13766	49.3
237.14885	14.9
248.64667	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1485
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
56.35712	3.1
58.01816	2.6
60.07634	2.7
67.05424	4.3
69.03342	3.9
69.06985	5.1
72.12702	2.7
79.05391	5.6
81.06971	15.2
83.04906	5.4
85.02817	14.5
91.05412	12.4
92.63741	3.1
93.06976	31.5
95.04893	15.4
98.97553	3.9
99.04387	6.5
105.06978	15.7
107.04907	4.6
107.08537	17.9
109.06527	24.1
116.56216	2.8
117.06973	15.2
119.08521	13.3
121.06448	16.6
121.10049	7.1
123.76254	3.2
129.06955	4.4
129.96497	3.4
131.08543	7.5
133.10138	5.4
134.99660	5.2
135.08018	20.7
137.05942	19.9
137.09581	3.3
139.07532	7.0
144.09294	12.3
145.10136	3.4
159.11682	37.7
160.85220	2.8
163.07516	17.1
169.34894	2.9
173.13385	3.4
177.12712	12.3
181.08562	17.8
219.13820	11.8
237.12387	4.6
237.14787	100.0
237.17059	5.6
239.93262	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	238.1072
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
52.43095	0.6
53.03875	1.0
54.74132	0.5
55.05440	2.9
56.96503	11.6
57.78209	0.5
58.06530	6.4
58.89732	0.5
58.99509	3.0
60.04453	2.9
61.01074	0.7
62.87490	0.6
62.95011	0.5
65.03841	1.2
66.11244	0.5
69.03345	0.7
70.06509	8.6
72.04417	0.7
72.08057	2.8
73.02807	0.7
74.00585	0.6
74.70616	0.5
74.97527	0.9
77.06454	0.5
79.05403	4.8
81.03360	0.8
81.06945	1.0
84.04430	1.1
84.08054	2.7
84.79379	0.6
86.09609	0.9
88.02141	11.6
90.05482	1.1
91.05402	12.3
93.06995	0.8
93.68649	0.5
95.04903	4.5
97.02806	0.7
98.97503	12.1
101.10775	0.6
103.05400	11.1
105.03332	23.2
105.04430	0.8
105.06967	16.5
106.07304	0.6
106.85509	0.6
107.04908	5.9
110.07096	1.0
112.08704	0.7
115.08660	0.7
116.07059	2.7
116.98563	14.9
117.05713	3.0
117.98843	0.7
118.05746	0.8
118.06494	9.7
119.04897	10.8
119.07281	16.8
119.08529	0.8
120.04396	0.6
120.08065	17.6
121.06448	0.9
121.08398	6.7
128.06184	0.8
129.06938	6.4
130.06454	0.9
131.04886	2.4
131.07246	3.4
132.08022	6.0
134.99619	14.6
135.99959	0.6
136.07494	0.6
137.07837	0.6
139.08498	0.6
140.00165	0.6
144.08034	1.1
146.09621	100.0
147.03224	1.1
147.04376	20.2
147.06288	2.4
147.09935	0.8
148.26804	0.6
150.05481	2.4
150.96896	1.2
150.99121	3.1
153.00661	3.3
154.94083	1.2
161.01147	2.8
164.02289	2.1
164.10773	0.8
169.00140	2.2
172.95227	5.6
174.99091	2.5
175.05856	1.3
177.00700	3.2
190.96304	5.8
192.10150	58.0
193.00060	0.7
194.06802	0.9
216.05399	4.1
219.59705	0.6
227.11330	1.4
238.10721	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	238.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96496	0.2
57.93357	0.1
64.18863	0.2
65.03867	1.5
81.47614	0.2
89.05934	0.9
90.05151	0.2
93.03319	0.9
101.35447	0.2
105.03315	0.7
109.10080	0.2
111.04392	0.7
116.98518	0.2
121.02815	8.7
121.03896	1.2
129.03729	0.2
132.30557	0.2
133.02818	15.1
149.02313	100.0
150.02641	1.0
167.03357	2.2
173.98572	0.2
176.07030	24.1
177.05431	1.0
177.07448	0.2
192.10194	0.2
192.40318	0.2
193.04912	3.6
220.09634	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	238.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44137	2.0
54.00176	1.9
56.96501	3.7
57.07015	18.1
57.07246	2.2
58.37598	2.6
67.05412	2.6
67.45855	2.1
68.83627	2.0
72.04434	93.4
72.93685	2.5
80.53531	2.6
88.02139	100.0
104.63078	2.1
125.21296	2.3
132.95796	2.7
150.96864	5.6
155.97533	3.1
163.94937	2.6
182.06316	17.3
190.35208	2.2
204.69156	2.2
210.92053	2.6
238.12506	15.7
246.67189	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	238.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04969	2.4
56.96476	0.4
57.03370	0.7
57.05738	1.3
58.06537	100.0
70.06506	5.8
70.47716	0.5
72.08073	40.8
72.55935	0.5
79.05426	2.1
81.06982	0.8
87.09164	8.7
99.08025	1.1
101.10729	12.4
105.03335	1.1
106.06528	0.7
115.05421	1.0
116.07027	0.8
117.05692	2.9
120.01089	0.8
120.08108	0.9
125.60972	0.5
130.06543	2.5
131.07257	0.8
132.08060	11.0
146.05995	2.6
147.06366	7.9
148.03908	0.7
150.05489	41.2
158.06042	0.8
164.07059	4.7
165.33337	0.6
176.07053	13.4
193.09734	0.7
221.12814	4.6
233.14589	0.6
238.15468	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	238.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52309	1.1
56.96477	1.7
59.03131	13.8
61.01040	16.2
62.98960	3.2
65.61312	1.1
73.04675	15.2
73.66455	1.2
74.93018	1.6
75.02590	19.2
77.00493	1.9
77.04153	64.8
78.50816	1.4
79.02077	22.7
80.99996	1.3
81.06968	1.9
91.05717	100.0
92.10303	3.3
93.03646	47.7
95.01550	7.1
95.62032	1.4
100.05689	1.6
100.53538	1.3
102.03700	1.7
102.48119	1.3
105.07265	8.0
107.92735	1.4
109.06792	1.7
114.07310	2.9
115.09356	7.2
117.07274	3.2
133.10403	45.1
151.11453	7.4
158.12463	1.3
173.67699	1.5
198.18520	1.5
215.18239	9.4
220.68468	1.4
238.19749	5.5
255.83687	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65977	0.4
55.01784	0.5
55.05440	0.3
56.96501	2.0
57.03366	0.4
67.05434	1.7
68.05767	0.4
69.03349	0.6
69.06987	8.4
70.06507	0.4
77.41349	0.3
79.05429	0.5
81.03347	0.4
85.02826	0.8
91.05475	0.3
92.10897	0.7
95.04950	0.3
96.04376	0.4
97.02812	1.9
98.97516	12.1
103.05399	5.6
111.04377	3.1
116.98572	13.7
117.06963	0.6
124.03866	0.4
125.04710	4.7
125.05553	0.4
125.05964	0.3
126.05479	54.2
131.04901	22.5
134.99634	11.5
136.03900	0.4
137.04666	0.8
138.05487	6.7
139.07539	0.6
152.03445	0.7
152.07047	0.6
153.00713	2.1
158.01260	2.1
159.04391	100.0
160.04742	1.9
164.07039	0.4
166.08614	1.9
176.02260	0.5
177.00684	1.8
178.86884	0.3
187.03880	0.7
194.11737	87.6
195.01721	1.6
195.12032	0.5
205.04944	10.2
205.06693	0.6
222.11209	1.8
240.12257	56.1
241.12611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.5
55.01811	0.3
55.05453	0.6
56.96507	1.7
57.03380	0.2
58.77389	0.2
59.17094	0.2
69.06985	2.0
73.02827	0.5
73.06439	0.2
79.05405	0.3
81.03333	1.5
84.08056	0.5
85.02816	0.6
91.05406	0.7
93.06981	0.4
93.40091	0.3
95.04908	0.5
96.78939	0.3
97.02818	1.5
97.82175	0.3
98.97507	9.8
103.05405	3.8
105.03254	0.3
107.08546	0.5
109.02801	1.0
111.04399	1.7
115.03831	0.4
116.98566	16.1
117.05712	1.4
117.06957	2.0
118.06027	0.5
123.04353	0.5
124.03954	0.3
124.07578	0.5
125.04704	2.6
125.05952	6.8
126.05471	15.6
127.03906	0.4
131.04886	14.0
131.08521	0.3
131.72627	0.3
134.99619	15.9
135.04367	1.8
135.07996	0.4
136.03932	0.6
137.04720	0.5
138.05470	37.4
140.00113	0.3
140.04706	0.7
143.07304	0.3
144.07639	0.4
149.05984	0.6
150.05490	0.3
151.06212	0.5
152.07042	30.4
153.00691	4.3
153.07358	0.3
154.02315	0.6
158.01230	2.3
158.08307	0.5
159.04384	72.7
160.04724	2.2
162.06740	0.5
163.07547	0.4
164.07037	0.5
167.10660	3.7
168.03918	0.4
176.02267	0.4
177.00679	2.0
177.09056	1.9
179.09361	3.5
180.02110	1.4
181.02408	5.0
182.01772	5.1
187.03915	0.5
192.64598	0.3
194.11726	100.0
195.01732	1.8
195.04964	0.5
195.12004	2.5
205.04918	7.5
205.06720	0.4
222.11179	2.8
223.03441	1.9
224.02831	1.8
240.12247	69.4
241.12578	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.1
55.01809	2.8
55.05451	0.5
55.90123	0.4
56.96507	4.6
57.03371	5.8
57.14334	0.4
57.24646	0.4
60.05561	0.4
61.02858	10.5
61.03145	0.9
62.57544	0.3
66.46044	0.5
67.05424	0.4
69.03352	18.8
70.06512	3.1
71.04901	1.9
71.95202	0.5
72.08084	3.8
73.02821	5.1
76.89914	0.5
81.03333	7.0
82.06501	0.7
84.08078	0.9
85.02830	83.3
86.09594	0.5
87.04413	3.5
91.03896	5.2
91.05433	0.5
97.02827	18.4
98.96895	0.9
98.97512	22.1
99.04387	3.7
101.02255	0.5
103.05392	5.4
105.03333	0.8
106.04637	0.5
109.02837	7.8
114.37489	0.5
115.03853	2.0
116.98571	31.3
119.01870	0.6
120.08106	0.7
120.97839	0.4
127.03876	15.1
131.04898	21.2
132.05240	0.6
134.99626	35.6
145.04936	23.6
146.99643	0.8
148.07483	0.5
150.96774	0.5
153.00670	8.6
158.01242	4.8
159.04387	100.0
160.04739	2.6
161.01263	0.5
163.05981	5.3
173.16698	0.5
174.98470	1.1
176.02298	1.0
177.00664	3.6
195.01753	2.7
205.04944	10.2
206.05270	0.5
219.01927	0.6
223.11740	1.0
235.04906	0.5
240.08910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48062	0.2
53.03894	2.4
55.01814	0.7
55.05462	1.3
56.96237	0.5
56.96505	10.3
57.03369	1.8
57.97293	0.3
67.05439	0.6
69.03356	0.5
69.06980	0.4
70.06509	1.3
71.04901	0.4
71.08531	0.3
71.95195	0.7
74.97521	0.5
79.05418	4.3
81.03346	8.6
81.06960	0.3
81.11781	0.3
83.04904	1.6
84.04454	0.3
84.08083	0.5
85.02837	0.6
91.05418	7.8
93.06982	6.2
95.04922	1.3
97.02847	0.6
97.06499	0.3
98.97519	58.0
102.96854	0.4
105.03336	1.2
105.06981	1.9
107.04896	2.3
107.08540	4.7
109.02826	0.5
109.06431	0.5
110.07152	0.3
115.05410	1.3
116.98579	83.3
117.06974	30.3
117.98923	0.5
119.08515	2.2
121.06447	2.7
121.10101	1.5
127.03855	0.4
129.07010	0.4
131.04918	0.6
131.08546	4.7
132.05275	1.2
134.99635	100.0
135.08025	7.6
136.00034	0.6
140.00182	1.3
141.05402	0.5
145.06567	0.3
149.09599	3.7
151.03903	0.6
153.00696	26.6
153.05499	0.5
153.09109	0.5
158.01230	13.6
158.99648	0.4
159.04416	1.2
159.07993	2.0
160.04723	6.5
162.05424	0.4
163.07504	4.0
168.23483	0.3
171.01855	0.5
176.02301	4.0
177.00684	9.7
177.09114	4.2
181.05017	0.7
187.07579	0.5
195.01733	9.1
195.10130	5.4
200.02316	0.3
205.08586	2.0
205.12872	0.3
206.05193	0.5
241.10641	1.6
241.15544	0.5
242.09998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	1.3
57.07016	21.6
58.02905	10.9
59.93040	1.0
69.06974	1.8
71.08540	6.5
72.18739	0.9
77.06178	1.0
77.94077	1.0
85.10106	1.7
88.07549	7.6
95.08549	1.0
98.97504	2.4
102.08469	1.5
102.09106	16.0
107.22964	1.1
116.10678	6.0
116.98589	9.9
117.98919	1.4
118.96721	14.9
131.15921	1.0
133.99123	1.1
134.99628	12.1
136.00020	2.3
136.99205	1.0
142.15921	5.6
153.00662	1.5
154.96429	4.1
159.96977	1.0
177.98032	9.0
186.22102	2.0
242.24742	100.0
242.28336	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	243.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	5.5
58.06528	20.9
58.34663	5.2
60.08087	21.6
69.03355	5.9
69.06981	8.6
70.66010	4.8
72.08072	9.2
74.02375	6.2
84.04446	9.1
84.08064	33.7
85.02808	10.5
85.06450	6.5
85.81030	5.1
86.09618	6.5
94.37138	4.8
95.08596	6.5
104.10652	26.6
105.11032	12.7
107.84161	5.4
110.07111	12.5
118.08553	5.4
119.01891	9.5
120.01998	7.6
138.09059	9.1
156.10225	6.0
161.02876	5.7
184.09689	6.2
189.06331	6.5
242.15758	31.1
243.01987	32.0
243.17024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.065
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
50.75205	0.9
55.01809	8.9
56.96490	1.8
57.03356	2.0
57.30224	0.7
58.08142	0.7
63.14374	0.8
65.03857	1.7
67.05420	2.0
68.99715	6.0
71.39574	0.8
81.03312	1.4
81.06943	1.2
83.04879	1.1
85.02818	1.2
85.06472	1.2
91.05402	5.2
92.10824	1.6
93.06989	1.0
95.04908	1.6
95.08494	1.4
98.97489	2.0
104.20486	0.9
105.06958	3.1
107.04890	10.6
108.31954	0.8
109.06467	11.9
110.80622	1.0
111.04460	0.8
113.05961	5.0
116.98640	2.3
119.04826	1.0
119.08521	5.0
121.02821	24.4
123.08019	3.6
128.06137	1.1
129.99545	1.5
131.04906	1.4
131.08563	1.6
133.06436	1.1
137.09589	1.0
141.05945	1.0
141.06953	9.3
143.08508	1.2
144.05656	1.2
145.06508	1.3
147.04411	1.9
147.08028	5.9
149.02316	100.0
159.07948	2.0
161.09590	1.7
165.09097	2.0
167.03360	1.1
169.06477	10.2
171.02075	1.2
172.00594	56.1
183.02208	23.1
185.05931	1.1
187.07550	3.7
197.05920	13.5
207.10115	1.5
213.05482	1.0
215.06995	85.7
224.87814	0.8
225.03270	6.3
225.11201	1.9
243.06488	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01815	0.4
55.05438	0.6
56.04977	4.3
56.96486	0.7
57.03358	0.6
60.04462	0.4
67.05403	1.9
69.03338	0.6
69.06970	1.9
70.06477	0.7
71.04917	0.7
72.08066	0.8
79.05400	1.8
81.03346	0.8
81.06958	0.9
84.04424	100.0
85.02870	0.5
86.09624	98.1
87.55543	0.4
91.05408	3.5
93.06958	2.1
95.04885	0.6
95.08567	0.9
97.02827	0.7
97.06447	0.5
98.97511	1.0
105.06955	3.5
107.04869	0.9
109.02835	0.8
109.06440	1.1
111.04396	0.6
116.98595	2.2
117.06974	0.7
118.98156	0.5
119.08517	5.1
121.10114	0.7
127.03909	0.5
129.06628	2.2
131.08472	0.8
132.10161	23.8
133.10078	1.8
134.99652	1.1
136.99255	0.8
137.09618	0.7
139.11162	0.5
141.06584	2.4
143.08548	1.7
143.46776	0.5
147.08012	3.4
151.03867	7.5
151.04964	0.6
152.10716	0.6
161.09590	3.6
165.08965	0.7
170.02650	0.4
179.10687	0.7
189.09164	2.3
197.12807	17.4
201.07317	0.6
207.10217	0.7
225.12450	0.6
243.13338	5.9
262.49301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68962	0.4
54.81247	0.4
55.05450	0.5
56.04979	4.6
56.16907	0.4
56.80080	0.4
56.96508	0.9
69.06996	11.6
69.73163	0.4
70.41916	0.4
79.05357	0.4
81.06971	0.6
84.04433	100.0
86.09631	91.1
91.05418	0.9
92.10213	0.5
95.04935	0.5
98.97520	2.6
101.45654	0.4
105.07027	0.7
114.87112	0.5
116.98586	1.0
119.08585	0.5
125.06055	0.5
126.41774	0.5
129.06564	11.4
130.06403	0.5
130.08968	0.4
132.10173	15.4
137.02846	0.5
161.74777	0.5
169.13414	2.1
177.00688	0.4
191.58072	0.4
197.12839	26.5
197.14574	1.1
225.12561	0.6
243.13377	6.1
254.92723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	4.3
53.03883	4.0
55.01812	4.2
55.05451	26.0
57.03378	6.9
57.07016	6.2
61.02860	5.0
63.29543	0.8
67.05076	1.2
67.05427	28.7
69.03345	8.9
69.06989	100.0
71.01275	1.1
71.04905	3.5
71.08532	5.9
73.02814	5.7
79.05410	13.5
81.03344	13.7
81.06508	1.1
81.06973	23.7
83.04898	6.4
83.08555	3.2
85.02843	5.5
91.05414	8.7
93.06977	10.2
95.04892	7.2
95.08529	8.2
97.02829	3.2
97.06481	1.6
97.10094	0.9
99.08029	1.5
101.00835	3.6
105.06963	7.4
107.04896	3.3
107.08533	5.3
109.06477	3.9
109.10089	9.9
111.04365	1.2
111.11655	3.4
113.00848	1.6
115.03922	1.2
119.01885	19.0
119.08508	5.5
121.10101	3.7
123.08075	1.0
123.11645	3.3
125.09591	1.4
128.10706	1.1
131.01889	22.0
133.03392	1.1
133.10081	4.0
135.11702	1.8
137.02872	5.3
137.09607	0.9
137.13167	0.9
143.01921	7.3
145.03488	3.2
145.10115	1.0
147.11714	1.4
149.02890	3.4
151.07652	0.7
153.12758	1.3
155.01872	27.3
157.03462	3.6
161.02907	13.3
163.11215	1.6
165.12727	1.8
167.01888	4.4
170.91484	0.9
171.11571	1.2
172.08774	1.3
173.02919	53.5
174.03033	0.9
175.04514	3.9
177.05005	1.7
177.12682	1.3
185.02937	15.8
187.04581	1.0
187.11104	1.0
189.12814	1.1
191.03958	1.0
195.13757	2.8
196.04613	1.6
197.02840	3.1
197.09625	0.8
203.03992	1.9
207.13799	4.0
215.03908	6.8
225.14874	1.2
233.04968	18.2
243.15840	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	244.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60889	0.2
52.68080	0.2
56.96492	0.2
58.06546	0.2
59.68650	0.2
59.82116	0.2
62.42745	0.2
62.55861	0.2
63.85709	0.2
72.08075	0.4
75.09150	0.3
84.08074	1.2
98.09629	0.4
101.00812	8.1
110.09640	0.3
111.74573	0.2
116.98586	0.3
119.01878	100.0
120.01941	1.1
121.02239	0.3
131.01849	0.3
133.03406	0.4
137.02936	60.9
138.03020	0.4
139.03389	0.5
142.03479	12.4
143.01823	0.3
160.04539	6.5
161.02928	12.3
173.03011	0.3
178.00958	0.9
179.03976	34.0
184.04520	1.2
202.05557	2.7
203.04065	0.4
220.02101	0.3
221.01515	0.5
221.05003	2.3
239.76955	0.2
244.05446	1.5
255.08116	0.3
262.03339	1.6
263.02762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04427	0.5
53.00244	0.7
55.01803	1.1
55.05448	3.3
56.96502	1.1
67.05437	5.5
68.04940	1.3
69.03349	0.8
69.06986	38.8
70.02872	38.4
70.06512	1.2
72.93684	0.7
79.05405	1.3
81.06971	5.9
82.02857	8.9
82.06499	4.3
83.04905	0.7
83.08523	0.8
84.04439	0.6
86.09647	0.9
88.03915	4.1
90.94759	1.3
91.05442	0.7
93.06971	8.7
95.07295	0.7
95.08531	2.4
96.04403	9.3
96.08057	4.0
97.06445	0.7
98.97500	0.7
107.08530	1.3
108.08047	2.8
109.06464	2.3
110.05997	1.3
110.09629	31.4
112.05057	1.2
116.98563	1.3
119.08591	0.7
121.06489	0.9
121.10128	1.2
134.99641	0.9
138.09116	100.0
138.98901	1.1
139.07571	0.6
139.11116	0.7
144.76057	0.7
156.10181	20.6
163.11102	1.2
167.97038	0.7
174.00757	0.6
184.09650	58.9
190.05293	0.7
203.56902	0.7
239.60065	0.6
244.09634	0.7
244.11774	7.1
245.13852	2.5
254.78165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	1.8
55.01805	9.8
55.05456	15.5
55.93473	3.3
56.53194	2.1
56.96503	10.4
57.03365	3.0
57.07007	5.2
67.05421	36.9
69.03351	3.5
69.06986	10.9
70.06516	31.9
71.04910	22.3
72.08055	3.4
72.93691	17.8
79.05400	38.6
81.03331	4.4
81.06971	12.1
83.04900	9.8
84.04428	15.3
84.08073	22.2
85.02822	3.9
85.04758	3.3
85.06467	96.9
85.74296	2.0
86.09615	14.4
89.42283	1.9
90.94780	16.9
91.05399	28.1
93.06972	31.6
95.04879	12.5
95.08541	4.0
97.02817	3.6
97.06462	4.4
98.97508	9.4
99.08009	3.5
105.07001	30.4
107.04902	10.9
107.08518	33.3
108.95828	3.4
109.06476	5.0
110.03088	2.6
111.04391	14.1
113.03399	4.0
116.06998	3.1
116.98579	9.4
117.06982	9.8
119.01889	2.7
119.08504	20.4
120.08042	2.9
120.97840	3.3
121.06451	19.2
121.10097	26.9
125.05924	10.7
127.03866	21.6
128.01625	2.5
129.06960	4.1
129.10136	3.3
130.06476	2.9
130.81819	2.3
131.08530	100.0
134.99594	9.9
135.08017	2.6
135.11662	4.5
135.90196	2.1
137.02937	4.7
137.09621	10.3
138.98915	4.0
145.10107	40.5
147.08072	8.3
149.05975	4.2
149.09592	75.9
149.96091	8.9
153.05478	5.1
155.07106	2.8
163.07552	2.7
163.11163	28.8
165.09114	10.5
167.10631	32.6
167.97119	12.1
172.97649	4.0
173.09631	2.9
177.00702	2.3
190.98634	2.5
191.10623	60.0
201.00702	4.6
204.11649	2.6
209.11696	60.0
220.36107	2.4
227.12746	49.9
245.04105	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	245.1281
Annotation	Cyclo(L-Phe-L-Pro)
Peak:m/z	Relative Intensity
50.83755	0.8
55.05447	6.4
56.96503	1.2
69.03349	0.9
69.06973	0.8
70.06506	72.2
71.49442	0.7
72.08067	34.9
72.29119	0.8
72.93692	1.9
75.25874	0.9
76.48405	0.8
79.05406	1.0
81.06965	1.5
83.04890	1.1
85.02828	1.5
86.09621	17.3
90.94721	1.6
91.05376	3.2
91.09705	1.0
93.06961	4.2
98.05376	1.6
98.05988	41.1
98.97498	1.1
100.11134	0.8
102.96754	1.0
103.05396	4.0
105.06967	1.6
107.08534	1.1
108.95809	1.5
112.02688	1.3
113.03413	4.2
120.08057	100.0
120.97857	1.3
121.10069	1.2
126.07896	1.1
135.01669	0.9
138.98903	3.2
146.11725	5.2
149.96024	1.1
153.06546	1.9
154.07332	31.6
167.97124	1.9
172.11136	5.9
173.71057	0.9
217.13274	5.3
219.41190	1.0
231.62436	0.9
245.12782	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1382
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
52.60112	1.5
55.01812	10.8
55.05449	12.5
56.96490	8.9
57.03363	6.0
57.07011	1.8
60.95809	1.5
67.05425	31.8
69.03333	6.7
69.06989	29.2
71.01259	1.9
71.04900	9.3
72.93691	2.6
79.05403	57.6
81.06974	42.5
82.02863	3.5
82.07403	1.6
83.03197	2.2
83.04885	9.1
83.08540	2.8
85.02856	1.2
85.06452	6.8
89.02344	5.9
90.94767	1.5
91.05402	13.3
93.06966	78.0
95.04893	5.9
95.08521	24.9
97.06451	13.8
99.04385	3.3
102.96794	2.0
105.06968	14.2
107.04903	6.8
107.08523	29.8
109.06479	3.8
110.06773	1.5
111.04359	2.1
111.11655	7.4
113.03423	6.3
113.05920	1.7
117.06925	3.9
119.08544	21.0
120.97847	6.1
121.06454	10.1
121.10089	100.0
125.05944	3.4
131.08505	6.3
135.11661	23.5
138.09097	6.5
138.98912	3.4
139.07545	2.5
139.09450	9.3
139.11130	27.5
145.10104	21.4
149.09561	6.0
163.11140	33.9
167.10652	1.9
167.97141	1.9
169.08574	8.1
181.12149	8.7
185.10051	5.7
185.11641	2.0
191.10667	3.3
209.11690	2.6
227.12730	13.0
245.13791	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	0.4
53.03884	0.7
54.35694	0.4
54.46461	0.4
54.81648	0.5
55.01804	0.4
55.05456	6.6
56.96495	2.6
57.07014	0.4
67.05080	0.8
67.05427	22.7
69.03349	1.0
69.06984	4.5
70.06513	0.9
71.04911	55.1
72.08059	0.6
79.05408	24.9
81.03333	0.9
81.06976	16.4
83.04903	7.6
83.08542	1.0
84.04462	0.6
85.02824	0.8
85.06470	3.0
86.09626	5.0
87.04393	2.6
87.09963	3.5
91.05408	68.2
93.06969	12.0
95.04909	6.0
95.08533	2.1
97.03980	0.8
97.06470	1.2
98.97507	1.0
99.04380	0.8
105.06979	40.0
106.07327	0.7
107.04908	3.7
107.08546	7.4
109.05819	0.5
109.06466	4.5
111.04376	0.8
115.05423	0.6
116.98554	2.0
117.06937	0.9
119.08541	15.1
121.06461	0.7
121.10088	9.1
123.07993	2.4
125.05958	8.1
129.06976	3.4
131.08545	15.9
133.06488	7.9
133.10100	100.0
134.10399	1.0
134.99664	1.0
135.00771	0.6
135.07968	0.7
135.11626	0.6
142.07741	1.1
145.10094	3.0
147.08035	11.1
147.11668	22.8
149.09605	12.9
149.13243	2.6
151.07494	1.1
151.11154	9.3
157.10091	4.1
165.09096	0.7
165.12750	3.4
175.11147	25.0
177.00714	0.6
182.15355	0.8
193.12216	39.4
196.08847	0.7
199.11131	0.6
200.09328	0.5
200.16423	1.1
201.00630	0.6
210.14801	0.7
211.13235	12.5
228.08769	6.8
228.15913	1.1
229.14435	2.0
246.07524	0.8
246.20819	0.6
247.13327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74718	0.5
54.81863	0.6
57.06741	0.8
57.07008	15.9
58.06527	1.2
60.61201	0.5
62.38811	0.5
70.06507	22.2
71.08533	2.6
77.92238	0.5
85.10088	2.7
88.07551	27.0
102.09125	5.7
106.08600	11.5
200.56442	0.6
202.21637	1.0
219.54039	0.6
228.23134	10.1
246.24213	100.0
247.24585	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	5.1
54.43446	0.7
55.05418	0.7
57.03343	1.0
61.02854	2.0
67.05425	1.5
69.03352	63.0
69.06971	0.7
71.04911	6.9
73.18435	0.8
76.56532	0.8
81.03339	29.9
81.06956	3.4
83.08534	0.9
85.02344	1.5
85.02830	30.2
91.05417	1.1
93.06990	1.0
95.08553	1.3
97.02827	16.6
99.04382	12.6
103.03889	8.3
105.06968	3.2
107.08524	4.0
108.58841	0.8
109.02835	30.9
121.10096	1.0
123.11664	3.6
127.03881	100.0
145.04971	1.4
147.11688	3.5
161.07690	0.8
165.12706	3.4
169.04857	7.6
187.06030	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	247.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71408	0.3
55.01807	0.5
55.05455	0.4
56.96487	0.4
57.03368	2.7
58.99522	3.6
59.86019	0.4
60.14855	0.3
61.01072	2.3
64.33505	0.4
67.05428	2.6
69.03340	0.4
69.06986	1.9
71.04913	2.4
76.02130	2.1
76.56467	0.3
79.05412	4.0
81.06971	3.0
83.04884	0.8
85.02824	0.4
86.09088	0.7
86.09627	50.8
88.02138	100.0
88.03908	8.2
91.05413	3.9
93.06957	2.6
95.04902	1.5
95.08536	2.4
97.06470	1.4
98.09635	0.8
105.06969	2.1
107.04897	0.4
107.08527	0.7
109.06443	0.8
118.03188	0.7
119.08540	1.8
121.06412	0.6
123.08106	0.3
126.18909	0.3
127.25336	0.3
131.08528	0.7
132.10167	20.6
133.10091	1.4
138.82423	0.3
144.10188	2.1
147.11636	0.5
156.08444	3.0
172.07837	0.5
181.03220	0.3
182.10406	0.4
193.12285	0.6
199.08690	0.5
201.10532	9.5
211.13165	0.4
230.08415	1.7
247.11034	10.7
247.14070	0.5
255.31140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71408	0.3
55.01807	0.5
55.05455	0.4
56.96487	0.4
57.03368	2.7
58.99522	3.6
59.86019	0.4
60.14855	0.3
61.01072	2.3
64.33505	0.4
67.05428	2.6
69.03340	0.4
69.06986	1.9
71.04913	2.4
76.02130	2.1
76.56467	0.3
79.05412	4.0
81.06971	3.0
83.04884	0.8
85.02824	0.4
86.09088	0.7
86.09627	50.8
88.02138	100.0
88.03908	8.2
91.05413	3.9
93.06957	2.6
95.04902	1.5
95.08536	2.4
97.06470	1.4
98.09635	0.8
105.06969	2.1
107.04897	0.4
107.08527	0.7
109.06443	0.8
118.03188	0.7
119.08540	1.8
121.06412	0.6
123.08106	0.3
126.18909	0.3
127.25336	0.3
131.08528	0.7
132.10167	20.6
133.10091	1.4
138.82423	0.3
144.10188	2.1
147.11636	0.5
156.08444	3.0
172.07837	0.5
181.03220	0.3
182.10406	0.4
193.12285	0.6
199.08690	0.5
201.10532	9.5
211.13165	0.4
230.08415	1.7
247.11034	10.7
247.14070	0.5
255.31140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68991	14.7
57.03363	17.7
60.57042	14.1
63.11685	13.5
64.61710	14.7
69.03342	30.3
72.08087	31.6
84.08051	17.5
85.02833	94.4
86.09616	38.6
87.05459	15.1
97.02816	24.8
104.10668	66.9
118.08596	32.1
119.01869	100.0
127.03886	18.9
131.01945	25.8
132.10184	26.6
133.03467	20.2
136.11148	15.6
138.05452	91.5
143.01883	14.4
152.33272	16.3
161.02930	34.0
173.02962	35.9
175.04526	34.8
185.02858	24.5
215.03929	18.7
247.04730	17.1
249.03770	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	249.1484
Annotation	CHEBI:67422
Peak:m/z	Relative Intensity
51.65954	2.2
52.68826	2.1
53.03897	2.4
55.05441	5.1
56.04967	2.3
57.06993	3.0
62.71321	2.1
64.82460	2.5
65.03873	2.4
66.10314	2.6
67.01780	11.5
67.05424	29.1
69.03353	30.6
69.06984	3.7
72.10432	2.4
79.05416	6.9
81.06979	10.9
83.04890	6.6
91.05409	34.3
93.06970	20.2
95.04901	29.1
95.08546	5.8
105.06962	15.0
107.04871	4.1
107.08541	5.3
109.06445	5.1
109.10104	4.7
111.04390	6.2
111.08039	4.3
116.06222	4.0
117.06957	4.5
119.04897	3.6
119.08533	56.2
121.06467	6.4
121.10089	4.7
129.06949	5.3
131.08572	4.0
133.10039	10.3
135.08015	10.3
137.09581	3.7
145.06436	3.3
147.08026	100.0
149.09544	3.2
161.09644	3.2
161.13258	4.0
171.11617	3.5
175.07487	17.2
189.12717	5.8
231.13651	13.1
249.14685	20.5
253.50681	2.8
259.56427	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	249.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09877	0.8
84.41387	0.9
92.10982	1.6
94.62573	1.0
128.64713	0.9
155.10352	1.0
166.86652	0.9
249.15685	100.0
250.16011	1.1
265.19226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
51.83474	0.8
57.07011	78.0
60.23262	0.7
97.00318	0.9
125.03529	0.9
137.05957	26.1
175.11159	2.1
189.06818	0.9
193.12219	72.9
194.12587	1.0
213.00235	1.0
246.30153	0.9
249.18436	100.0
250.18686	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33474	0.2
54.81895	0.2
57.03363	0.9
59.91521	0.2
64.33500	0.2
67.01785	2.9
75.70340	0.2
76.56785	0.2
94.03971	0.4
97.02814	0.3
111.61203	0.2
118.93578	0.2
119.03510	0.5
119.93872	0.2
133.26247	0.2
136.06166	100.0
137.04582	0.4
137.06509	0.5
141.46654	0.2
178.07289	0.4
200.45836	0.3
208.30717	0.2
235.42136	0.2
250.09309	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	250.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00262	0.4
54.81458	0.5
55.05451	17.6
56.36116	0.4
57.07013	10.5
58.99522	3.4
62.99002	28.0
65.99297	0.5
67.05424	9.8
69.06989	100.0
70.02879	0.7
73.01063	1.0
74.00569	3.9
76.12500	0.4
77.00556	3.2
77.54691	0.5
79.05422	0.7
81.06982	1.1
83.08544	3.9
86.98986	0.6
87.02615	15.1
88.02142	8.3
88.03914	10.1
91.05432	0.9
93.06973	1.0
98.97518	0.6
101.04184	1.9
103.32666	0.5
105.00044	1.0
105.03701	0.6
107.08553	1.1
109.06443	0.6
109.10100	3.5
111.11674	8.6
116.05338	0.6
116.98583	0.5
120.01117	6.0
133.10121	1.0
137.09622	1.1
143.08905	3.1
145.10526	0.6
158.99612	0.6
161.09924	66.5
215.11046	2.7
232.13617	4.8
233.12006	14.0
233.14148	0.6
250.14687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62763	0.6
53.64597	0.7
55.05451	1.0
56.96500	8.1
57.03358	0.8
64.33562	0.8
67.05419	0.7
68.04941	0.9
69.03349	15.1
69.06982	0.8
70.06507	4.0
79.05000	0.8
79.05391	6.2
80.24929	0.8
84.04458	0.8
84.08049	1.7
85.02834	3.5
85.63721	0.8
86.05994	20.2
86.09607	1.3
91.05403	3.2
91.79919	0.8
92.64400	0.9
92.83635	0.8
93.06952	1.4
95.04899	0.9
97.02791	0.8
98.97506	4.2
103.05409	34.3
107.04905	17.8
107.08581	0.7
116.98577	3.6
120.08062	100.0
121.06454	4.2
121.08367	4.9
128.04941	1.3
128.98541	0.9
130.06512	0.9
131.04906	18.1
133.29405	1.0
134.99649	1.9
144.08058	1.7
146.05991	14.7
149.01198	1.6
149.05927	1.7
166.08627	14.1
167.02211	1.6
167.09091	0.8
170.09639	14.0
187.09433	1.0
188.10681	79.0
213.02911	0.9
234.11218	45.1
251.13950	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	251.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04969	2.0
69.51614	0.3
77.46770	0.3
78.34299	0.2
79.05407	2.8
84.04427	35.4
85.02833	0.7
87.00759	0.4
91.05402	0.7
92.10295	0.3
95.04902	0.3
103.05400	2.7
105.06976	100.0
106.07249	0.4
107.04919	0.5
118.06499	1.7
120.08056	15.2
122.09623	14.9
122.10504	0.6
124.83246	0.3
130.04939	2.2
146.05989	2.7
150.05540	0.3
175.10693	0.4
188.06996	1.7
205.13364	2.8
206.08109	4.5
230.14362	0.3
234.11212	12.8
234.13429	0.7
251.13911	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	251.1641
Annotation	Vernopolyanthofuran
Peak:m/z	Relative Intensity
53.03899	8.9
55.01809	2.4
55.05219	1.3
55.05452	21.7
56.96501	2.5
57.03366	4.7
61.19257	1.0
65.03864	2.5
67.05082	1.9
67.05430	54.6
69.03349	2.1
69.06993	17.2
71.04899	6.0
78.84921	1.0
79.05413	36.4
81.03340	100.0
81.06978	75.7
83.04884	6.2
83.08533	6.7
85.06458	4.5
91.05407	34.5
93.06974	22.2
95.04900	43.3
95.08533	20.8
97.06482	4.4
103.05397	2.1
105.03336	1.7
105.06977	28.7
107.08543	7.8
109.06469	7.7
109.10116	4.6
117.06987	7.9
118.70876	1.2
119.08537	24.4
121.06470	14.2
121.10104	11.8
123.08022	4.5
123.11645	8.4
129.06929	4.3
131.08536	23.0
133.10088	2.1
135.07985	1.7
137.09598	1.7
141.06940	1.5
143.08528	3.8
145.10109	13.9
147.08008	2.3
147.11693	10.0
149.09538	2.1
155.08514	1.8
159.11691	2.2
169.10002	1.1
171.11630	4.3
173.13210	2.1
187.14781	9.6
197.13257	2.4
201.78113	1.2
215.14293	4.0
233.15277	11.7
251.16396	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	251.1642
Annotation	Vernopolyanthofuran
Peak:m/z	Relative Intensity
52.06266	0.9
53.03889	8.3
55.01802	4.4
55.05454	26.5
56.96486	4.9
57.03368	2.7
65.03854	2.5
66.45663	1.1
67.05080	2.5
67.05429	64.1
69.03360	2.0
69.06989	27.0
71.04893	5.9
77.21629	0.9
79.05415	34.8
81.03337	100.0
81.06976	88.0
83.04895	5.6
83.08521	6.4
85.06451	7.3
91.04836	1.3
91.05405	40.5
93.06973	23.0
95.04897	42.5
95.08537	25.4
97.06451	6.3
98.97500	2.8
103.05425	1.3
105.06973	32.7
107.04927	1.9
107.08546	12.2
109.06459	8.7
109.10109	4.3
110.97607	1.2
117.06979	6.4
119.07758	1.8
119.08543	25.3
121.06463	15.7
121.10104	13.6
123.07976	7.7
123.11652	13.1
127.54085	1.1
127.90305	1.3
129.06973	5.6
131.08525	23.2
133.10085	5.9
133.26906	1.0
135.08029	4.5
137.50751	0.9
141.06993	1.5
143.25616	1.1
145.10135	11.2
147.08026	2.0
147.11673	16.7
149.09586	4.2
149.13222	4.1
155.08525	1.4
159.11665	2.1
165.12688	1.8
168.62476	1.0
169.10141	1.4
171.11610	5.0
173.13248	1.5
187.14758	9.3
197.13252	4.6
206.68378	1.1
212.60220	1.2
215.14262	6.6
233.15306	11.9
236.14491	1.3
251.16339	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	251.1643
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03895	4.3
53.16551	1.7
55.01806	3.8
55.05450	25.4
56.96498	10.7
57.03366	3.2
58.50358	1.6
59.04929	17.4
65.03838	2.8
67.05432	67.7
69.03341	3.7
69.06984	44.2
70.07324	8.2
71.04904	8.1
79.05409	37.2
81.03339	95.7
81.06508	4.1
81.06975	100.0
83.08537	4.2
85.06435	2.7
91.05412	40.6
93.06975	24.3
95.04899	38.9
95.08541	24.8
97.06481	3.2
98.97515	2.5
105.06982	36.8
107.04877	2.7
107.08547	15.0
109.06478	10.8
109.10120	4.3
111.11612	2.4
117.06949	13.8
119.08543	26.8
121.06484	15.3
121.10075	14.6
123.08031	4.6
123.11691	16.4
129.06975	5.0
131.08540	25.2
133.06474	2.4
133.10069	4.1
135.07968	6.5
143.08554	2.1
145.10120	20.8
147.08005	3.5
147.11688	19.9
149.09680	3.1
158.79227	1.9
159.11633	3.3
169.10052	3.3
171.11653	3.9
187.09579	2.2
187.14659	8.5
197.13155	2.5
215.14326	4.6
233.15329	13.8
251.16258	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	253.1182
Annotation	Phenylalanylserine
Peak:m/z	Relative Intensity
53.03868	0.5
55.01823	0.4
55.05450	2.7
56.96502	0.5
57.03367	1.8
59.06058	0.4
60.04438	0.4
61.02846	2.4
64.32788	0.3
69.03348	5.0
70.06501	1.9
71.04880	0.4
71.54273	0.3
72.08079	0.4
73.02819	0.6
73.06465	6.8
79.05405	3.1
81.03333	1.8
84.04426	0.6
84.08051	0.8
85.02827	20.6
85.03349	0.7
87.04375	0.5
88.03917	6.4
90.83447	0.4
91.03903	0.4
91.05402	1.7
92.04904	0.8
92.98603	0.4
93.06992	2.7
94.34771	0.4
97.02829	4.4
97.05635	0.4
103.05400	6.8
104.56017	0.4
105.06522	0.9
106.04934	0.6
107.04892	12.3
109.02838	0.9
110.07110	1.8
120.04430	6.8
120.08054	100.0
127.03858	2.6
132.08072	3.6
136.07567	0.8
144.08086	3.7
145.04953	2.5
146.06088	0.4
180.05083	3.8
181.03523	0.8
193.09831	0.5
207.11331	1.5
212.07611	0.6
220.42712	0.5
227.46530	0.4
229.22249	0.4
230.08748	0.4
253.11798	4.1
254.08774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1182
Annotation	Phenylalanylserine
Peak:m/z	Relative Intensity
55.18256	0.4
56.96501	0.5
60.04456	55.5
66.45584	0.4
67.05419	0.4
68.04955	0.5
70.06516	4.0
72.08061	0.5
75.04375	0.4
79.05406	0.6
80.04928	2.0
81.04463	5.5
83.15939	0.4
85.02798	0.6
87.05527	1.8
91.05426	0.5
92.04917	2.1
93.06970	0.8
96.04388	0.5
103.05397	3.7
105.06950	0.7
107.04884	2.0
108.04394	0.8
110.07119	1.7
120.04423	11.5
120.08057	100.0
121.08409	0.7
122.07140	3.3
122.09615	2.7
124.08674	4.5
124.13458	0.4
125.55133	0.4
131.04897	2.7
132.08064	0.5
139.01822	0.4
144.08070	2.8
149.05959	0.7
159.02827	0.7
162.09119	1.9
166.08600	27.7
207.11243	5.2
219.05002	2.1
225.17215	3.6
235.10616	0.9
246.01540	0.5
253.11635	6.3
253.16423	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	253.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	3.1
55.01796	3.2
55.05224	0.7
55.05456	11.7
57.03371	8.7
60.43531	0.6
61.02865	11.2
64.03132	0.7
65.03832	0.6
69.03003	1.2
69.03352	21.7
70.06503	3.2
71.04897	2.8
72.08069	0.7
73.02830	5.0
73.06468	29.3
76.54689	0.6
79.05405	2.8
81.03349	8.1
85.02830	100.0
87.04408	1.6
88.03897	3.2
88.21483	0.7
89.30460	0.7
91.03872	2.8
91.05414	0.9
92.04926	3.7
92.10241	1.4
97.02825	21.0
99.04369	3.7
99.88647	0.6
103.05434	0.8
105.06548	0.9
107.04906	11.7
109.02855	6.9
110.07088	5.2
115.03872	0.7
120.04420	21.1
120.08057	12.3
121.08450	0.9
121.38587	0.7
122.07063	0.8
127.03883	14.4
136.06174	0.8
136.07472	1.1
145.04939	11.7
146.06032	0.8
154.99600	0.6
163.05956	2.7
179.95129	0.6
180.05151	6.6
181.03535	1.6
195.11211	2.7
207.73682	0.6
253.11819	1.3
254.08774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1432
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03886	3.0
54.21573	1.4
54.81799	2.4
55.01798	8.4
55.05235	1.7
55.05455	28.8
59.35569	1.6
67.05431	19.8
69.03349	15.4
69.06984	8.7
71.04890	11.4
79.05008	2.4
79.05406	35.9
80.71722	1.5
81.03297	1.8
81.06974	54.3
83.04891	12.0
83.08552	13.6
84.51059	1.6
85.02835	2.2
85.06472	2.3
91.05404	24.8
93.06974	60.0
95.04890	18.5
95.08537	21.7
97.06466	14.5
98.06003	3.1
98.09644	3.4
99.04379	11.3
100.11189	49.3
103.05401	2.3
105.06970	39.4
107.04877	9.3
107.08537	23.2
109.06455	37.5
109.10108	2.7
111.04419	2.2
111.08020	2.5
113.05930	2.1
114.09106	3.4
117.06927	3.9
117.13812	3.7
119.04882	2.6
119.08529	21.5
120.08002	1.9
121.06454	100.0
123.08023	6.5
123.11627	1.8
125.05870	3.3
126.09095	3.2
127.07520	9.5
128.06207	1.8
129.06929	7.0
131.08516	4.1
133.06468	2.9
133.10071	9.2
135.04372	3.8
135.08018	15.6
137.05904	2.4
139.07498	10.8
142.07803	3.2
143.08501	12.5
143.11823	2.8
145.10104	8.7
147.08034	8.1
147.11646	29.8
151.07571	2.6
156.09315	2.9
157.10112	16.2
161.13217	10.6
165.07007	2.0
165.12758	2.0
166.07739	2.3
168.13788	12.7
171.11641	18.7
175.11140	21.0
181.10091	6.7
184.08809	2.8
185.16469	15.5
189.12677	21.6
193.12164	8.2
199.11139	28.8
207.13831	3.6
208.09676	2.1
217.12207	45.9
235.13289	20.3
253.14345	14.3
253.19040	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	253.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18536	1.2
54.07153	1.2
55.05446	6.4
56.19414	1.3
57.03357	6.6
58.48526	1.2
67.05410	2.9
67.87698	1.7
71.04903	24.1
71.97118	1.3
79.05405	5.8
81.06971	1.6
82.04298	1.3
83.04887	9.6
85.02821	2.1
85.06477	2.5
86.14738	1.2
91.05403	16.7
95.04878	2.9
96.36221	1.3
101.05958	2.0
105.06988	12.7
105.07584	1.3
107.04839	1.7
107.08537	100.0
109.06445	8.4
113.05958	7.2
114.32000	1.3
119.06021	1.4
119.08521	23.8
135.08009	50.7
138.05833	1.4
146.71974	1.7
271.47647	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1432
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03886	3.0
54.21573	1.4
54.81799	2.4
55.01798	8.4
55.05235	1.7
55.05455	28.8
59.35569	1.6
67.05431	19.8
69.03349	15.4
69.06984	8.7
71.04890	11.4
79.05008	2.4
79.05406	35.9
80.71722	1.5
81.03297	1.8
81.06974	54.3
83.04891	12.0
83.08552	13.6
84.51059	1.6
85.02835	2.2
85.06472	2.3
91.05404	24.8
93.06974	60.0
95.04890	18.5
95.08537	21.7
97.06466	14.5
98.06003	3.1
98.09644	3.4
99.04379	11.3
100.11189	49.3
103.05401	2.3
105.06970	39.4
107.04877	9.3
107.08537	23.2
109.06455	37.5
109.10108	2.7
111.04419	2.2
111.08020	2.5
113.05930	2.1
114.09106	3.4
117.06927	3.9
117.13812	3.7
119.04882	2.6
119.08529	21.5
120.08002	1.9
121.06454	100.0
123.08023	6.5
123.11627	1.8
125.05870	3.3
126.09095	3.2
127.07520	9.5
128.06207	1.8
129.06929	7.0
131.08516	4.1
133.06468	2.9
133.10071	9.2
135.04372	3.8
135.08018	15.6
137.05904	2.4
139.07498	10.8
142.07803	3.2
143.08501	12.5
143.11823	2.8
145.10104	8.7
147.08034	8.1
147.11646	29.8
151.07571	2.6
156.09315	2.9
157.10112	16.2
161.13217	10.6
165.07007	2.0
165.12758	2.0
166.07739	2.3
168.13788	12.7
171.11641	18.7
175.11140	21.0
181.10091	6.7
184.08809	2.8
185.16469	15.5
189.12677	21.6
193.12164	8.2
199.11139	28.8
207.13831	3.6
208.09676	2.1
217.12207	45.9
235.13289	20.3
253.14345	14.3
253.19040	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05375	0.8
56.22664	0.8
56.96501	1.7
60.04442	1.1
60.08095	59.1
65.03858	9.4
70.06535	1.4
82.60670	0.9
91.05397	9.1
92.04948	10.0
93.03327	15.5
95.04903	1.2
110.03614	1.6
111.04390	39.9
119.01859	1.0
119.04886	8.6
120.04417	45.5
121.06463	3.9
125.05949	61.0
125.06908	2.4
134.03654	1.4
137.05923	1.0
143.00117	5.0
149.05954	84.5
153.05438	100.0
154.05721	1.1
161.01151	7.0
167.11720	1.9
177.05400	7.4
179.02367	1.2
189.00685	4.8
195.06496	31.7
195.11221	8.5
199.07520	1.8
199.43961	0.9
207.01756	1.8
254.13812	26.1
254.16226	2.4
255.06438	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	254.161
Annotation	CI 4
Peak:m/z	Relative Intensity
54.81348	0.5
57.27365	0.5
60.08099	7.0
65.03848	0.8
70.06144	1.0
70.06507	21.4
82.06536	0.5
86.62183	0.5
87.77696	0.6
88.07546	0.6
91.05384	0.6
92.04927	1.9
93.03333	1.1
95.56310	0.5
95.56920	0.5
97.07590	1.2
98.05983	17.3
102.80878	0.5
111.04382	4.7
112.08662	0.5
120.04406	7.9
122.09612	3.3
125.05970	5.3
125.07069	24.0
130.89265	0.5
144.53075	0.6
149.05972	9.9
153.05453	12.0
153.06636	0.8
154.07309	0.7
161.95114	0.5
166.13338	0.9
167.11771	24.9
167.13210	0.9
173.87050	0.5
192.12877	0.6
194.12869	8.5
195.06584	3.9
195.11258	100.0
197.44908	0.5
237.13420	1.1
254.13843	2.7
254.16069	36.7
255.06378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36887	1.0
55.01805	1.6
55.05448	11.2
57.06999	7.6
58.93939	1.2
62.99727	1.0
67.05406	1.7
69.06986	15.0
71.08539	2.7
72.04430	26.3
77.40718	1.1
77.57272	1.2
79.05411	1.9
79.09821	1.3
81.06969	4.8
83.08542	9.3
83.88384	1.1
89.03862	1.3
91.05383	4.6
93.06976	2.6
95.08525	2.6
97.06439	1.8
97.10089	2.8
100.07545	1.7
102.63977	1.2
104.61585	1.1
106.33093	1.2
107.08468	1.4
114.09071	2.3
121.10043	1.4
123.11699	1.4
125.95686	1.3
137.02330	17.9
145.02834	2.3
153.06894	4.4
157.06494	1.5
166.75461	1.3
171.08035	5.3
181.06375	9.9
199.07495	27.8
219.21082	1.5
227.07024	13.2
237.05412	5.5
240.85387	1.4
254.24667	16.5
255.06464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0638
Annotation	Daidzein
Peak:m/z	Relative Intensity
54.81635	3.5
69.76132	2.7
82.20741	2.9
91.05419	5.5
116.88317	3.6
137.02330	20.0
149.02351	12.1
166.51511	3.4
181.06412	3.9
197.95801	3.6
199.07465	22.4
212.31065	2.9
214.27502	3.3
227.07001	13.2
255.06470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.063
Annotation	Daidzein
Peak:m/z	Relative Intensity
50.51132	1.0
57.67437	1.0
67.01728	1.1
67.23633	1.2
91.05397	8.3
116.72486	1.3
119.04889	1.5
128.06161	1.3
129.06943	2.7
131.08453	1.3
137.02325	16.5
145.02791	1.6
149.02312	1.2
153.06952	2.9
157.06490	1.8
171.08029	2.9
181.06372	8.9
199.07500	29.8
209.06052	2.0
222.50645	1.8
227.06993	12.1
237.05408	2.4
255.06448	100.0
278.01297	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0642
Annotation	Daidzein
Peak:m/z	Relative Intensity
54.92603	1.2
55.05445	1.2
56.96487	1.1
64.02794	1.0
64.33344	1.4
74.33270	1.2
79.05394	1.8
81.06987	1.7
84.25397	1.1
91.05410	9.9
93.06970	1.7
95.08543	1.8
97.09251	1.2
98.97530	1.3
106.75131	1.2
117.95696	1.2
119.04941	1.4
128.06210	1.7
129.06952	3.0
130.06554	1.3
134.03609	1.2
137.02336	17.5
142.44130	1.2
143.08546	1.6
145.02829	1.6
149.02322	5.3
153.06940	6.3
157.06490	1.6
181.06429	10.2
184.05098	1.7
199.07510	30.4
227.07034	12.0
237.05341	4.6
255.06470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0642
Annotation	Daidzein
Peak:m/z	Relative Intensity
55.01811	1.0
55.93575	0.7
56.96493	1.4
65.03879	0.7
68.99711	0.9
78.47673	0.6
88.24361	0.7
91.05428	5.3
98.97518	6.7
105.06925	1.0
107.08537	3.0
116.98564	4.7
119.04890	1.4
121.02785	0.8
128.06152	1.2
129.06967	3.0
131.08516	3.0
133.02794	1.0
134.99657	1.6
137.02315	16.3
139.06805	0.7
145.02831	3.0
149.02301	1.1
149.09552	1.0
152.06181	0.8
153.07028	4.9
157.06496	2.8
158.99666	1.3
165.06844	0.9
169.06522	0.7
171.08043	3.6
177.00656	1.7
181.06502	9.1
197.05989	0.6
199.07515	24.2
208.99664	0.7
209.06000	1.1
227.06950	8.0
237.05464	5.0
255.06465	100.0
256.06833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0639
Annotation	Daidzein
Peak:m/z	Relative Intensity
50.45801	2.8
56.12157	3.5
60.37473	3.4
60.42733	3.0
65.03859	4.8
72.77093	3.5
73.53819	3.1
78.02052	3.3
80.27601	3.8
80.58468	4.1
85.63985	3.7
92.10876	7.0
99.29799	3.8
102.98064	4.1
137.02348	9.7
149.02318	15.6
153.06921	4.4
181.06380	7.0
193.05017	13.7
196.73470	4.4
199.07437	28.2
215.66016	4.0
227.07011	8.2
255.06485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0649
Annotation	Daidzein
Peak:m/z	Relative Intensity
55.01796	0.8
62.61531	0.4
64.33812	0.4
65.03855	0.6
68.99692	0.6
79.60781	0.5
81.03326	0.7
91.05401	5.5
119.04893	2.5
119.49728	0.5
128.06143	2.3
129.06956	2.7
131.04900	0.6
133.02792	1.2
135.24590	0.5
137.01547	0.7
137.02306	16.8
143.08507	0.9
145.02814	2.5
149.02238	2.0
152.06218	0.8
153.06998	5.4
157.06441	2.7
169.06511	0.5
171.07997	3.0
181.06459	9.1
184.05141	0.5
197.05917	1.0
199.07515	25.6
221.33838	0.5
227.06958	10.3
237.05428	5.1
238.10144	0.5
255.06453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0641
Annotation	Daidzein
Peak:m/z	Relative Intensity
52.45720	1.0
55.01833	1.1
59.31005	0.9
61.37877	1.1
73.33006	1.0
74.75370	1.0
79.68889	1.1
81.03329	1.3
84.98273	1.4
91.05386	5.7
92.10968	1.1
96.10257	1.1
119.04880	1.8
120.54978	1.2
128.06161	1.6
137.02328	19.2
145.02805	1.9
149.02382	1.7
149.24223	1.2
153.06953	5.3
157.06476	2.5
171.07994	2.3
181.06357	8.0
184.05171	1.3
197.05928	1.4
198.06686	1.3
199.07523	26.6
200.91208	1.1
227.06963	10.0
237.05424	5.0
255.06464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04155	0.5
52.59068	0.5
52.71666	0.5
52.87862	0.5
53.03885	0.7
55.01809	0.5
55.05449	0.6
65.03873	6.9
67.05429	1.0
67.06113	0.5
68.99715	0.9
69.06989	1.5
70.06461	0.6
75.15714	0.5
79.05421	1.5
81.06953	1.2
84.08118	0.6
91.05404	8.6
92.04928	5.3
93.06985	1.2
97.06450	0.6
106.06496	1.0
110.06001	0.7
111.04413	0.7
115.05442	0.8
118.06467	1.1
119.04897	1.3
119.26071	0.7
120.04454	0.9
121.02773	0.7
128.06166	2.4
129.06978	3.8
130.06506	1.0
131.07274	0.7
133.02838	0.7
134.06030	0.9
137.02318	16.0
141.06953	1.4
142.07735	1.1
143.07277	1.4
143.08553	1.3
144.08110	1.3
145.02870	1.5
146.05977	1.3
149.02301	0.9
152.06221	2.9
153.06981	6.3
154.06474	2.4
155.08519	0.7
156.06844	0.8
156.08057	1.3
157.06474	3.0
157.08832	1.0
165.06992	1.2
167.07266	7.9
167.08540	0.9
168.08064	3.2
169.07597	2.8
169.08864	2.5
170.08406	1.4
170.09723	0.7
171.08044	3.1
180.08124	0.8
181.06354	8.3
181.08876	1.0
182.09674	5.2
183.09093	8.1
184.05119	1.1
184.09927	6.4
184.11292	2.5
185.07153	1.0
187.08698	1.0
193.07463	0.9
194.08318	0.9
197.07089	10.0
197.10713	1.4
198.07799	1.3
199.07431	23.9
199.12289	13.6
209.07173	2.7
209.10748	0.9
210.09152	4.0
211.08640	16.7
212.09340	14.0
222.07835	2.6
225.06572	8.8
225.10208	1.2
227.06924	5.2
227.08168	6.2
227.11736	21.0
237.05484	4.3
237.10239	1.0
239.08107	9.3
240.08876	13.2
246.14500	0.7
253.09641	1.0
255.06487	100.0
255.11079	34.9
255.15633	1.3
256.06805	1.5
256.09338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05608	0.9
55.01815	1.2
66.84750	1.0
67.05424	1.4
69.06993	8.6
70.06509	8.1
72.08074	1.3
73.02846	1.3
83.06011	1.6
84.08073	13.8
85.02850	1.0
85.06470	1.7
86.07069	1.0
86.09634	97.5
86.12029	1.1
87.09976	2.8
87.33270	1.1
91.05389	1.8
93.04435	1.6
94.21634	1.1
94.90447	1.1
97.06491	8.9
101.00817	6.3
105.88104	1.1
106.40157	1.3
110.07117	22.6
118.03471	6.4
119.01881	63.6
121.04778	1.5
123.05531	9.3
124.03896	2.1
126.05489	16.6
131.01888	2.4
134.05998	5.7
136.04597	1.4
137.02977	35.1
144.05077	1.5
144.44678	1.2
149.01280	1.5
152.07056	9.5
162.09703	2.1
164.07068	2.8
172.04477	1.8
173.06584	1.6
186.09727	42.1
191.07623	1.8
192.10138	18.0
199.07532	5.7
204.10803	34.6
210.11206	23.5
212.12726	2.3
212.67342	1.3
214.09221	17.2
215.07631	2.0
227.06996	2.4
232.10271	100.0
233.08629	1.7
255.03963	2.1
255.06467	25.1
255.13359	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	255.2317
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
55.05453	81.6
57.03374	3.5
57.06779	3.8
57.07013	73.1
63.64330	2.8
64.89426	2.9
65.60608	3.0
67.05422	19.8
68.29070	2.9
69.06985	100.0
69.45055	3.6
70.94728	3.2
71.08556	24.2
79.05400	22.6
81.06983	37.3
83.04894	6.7
83.08546	62.1
83.42117	3.5
85.06485	4.8
85.10078	14.4
93.06960	32.1
95.08521	32.6
97.06463	16.3
97.10089	27.2
107.08525	21.1
109.10088	6.6
111.07998	4.7
111.11656	3.4
118.01978	3.1
121.10108	24.0
129.79047	3.4
132.17964	4.1
135.11639	22.9
137.02299	4.6
149.13235	17.3
153.12778	3.3
163.14755	5.1
168.01607	3.9
193.36644	3.3
219.21045	27.1
237.22044	17.0
255.06383	15.1
256.26288	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	255.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12968	1.0
55.01802	1.8
55.05449	9.7
57.07002	9.9
60.34686	1.0
65.03829	1.1
67.05428	1.5
68.59722	1.1
69.06989	13.5
71.08537	5.8
79.05394	2.4
81.06977	5.6
83.08552	9.4
85.06400	1.2
85.10110	1.4
91.05395	7.8
93.06960	6.4
95.08508	5.0
97.06454	2.2
97.10094	5.1
98.54798	1.1
107.08553	2.2
119.04912	1.7
121.02801	1.3
121.10098	4.4
122.02682	1.2
123.11572	1.3
125.09631	1.3
135.11661	2.6
137.02328	19.0
145.02876	2.5
153.06918	2.4
157.06479	1.2
171.08038	2.4
181.06381	7.8
199.07521	22.9
219.21077	1.9
227.06932	10.3
237.05432	6.1
255.06459	100.0
256.06784	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	256.2632
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
52.02610	0.7
54.81380	0.8
55.05435	1.2
57.06764	1.0
57.07013	14.0
63.32021	0.8
71.08537	5.3
72.04404	3.3
80.09540	0.8
81.06985	1.0
85.10104	1.1
88.07516	1.5
91.95123	0.8
92.10876	2.0
95.08543	1.0
102.09106	7.5
113.08295	0.8
115.06351	0.9
116.10685	8.8
120.14956	0.8
130.12225	4.4
138.02605	0.8
140.21342	0.9
151.40813	0.9
156.62276	0.9
200.07858	3.7
204.77429	0.9
256.06757	21.6
256.26282	100.0
257.07095	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70647	0.5
54.03412	0.6
55.02916	0.5
55.05468	3.7
56.04980	1.2
56.96492	0.7
60.05581	1.2
68.04942	5.3
69.03352	0.6
69.06999	0.7
70.06516	63.3
71.04903	3.2
72.05551	0.5
72.07721	0.9
72.08077	17.4
79.05404	1.0
80.04935	1.3
81.06978	2.2
82.06476	2.0
84.04440	1.1
84.08073	1.3
85.02827	0.8
91.05418	2.3
96.08064	1.3
97.02837	0.6
97.07606	8.7
98.09631	0.8
98.97535	0.6
100.03929	0.6
104.10703	1.2
106.06490	2.1
108.08076	6.9
110.09639	100.0
112.08703	5.2
114.10253	16.3
124.99987	0.9
126.05449	0.6
126.09118	4.8
130.09758	1.2
139.53018	0.5
152.07039	5.1
152.11774	0.6
154.08618	22.8
169.14455	3.9
175.10645	0.5
177.06943	0.5
178.46117	0.5
183.07541	0.8
213.13428	2.4
229.04199	4.5
252.05814	0.8
257.07095	0.6
257.12436	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	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03869	2.0
53.30876	1.5
54.81937	1.6
55.05445	13.5
55.59424	1.5
56.74728	1.5
57.03369	31.6
57.07006	1.8
66.60149	1.8
67.05441	20.4
67.91239	1.9
69.06980	11.2
79.05387	15.4
79.46782	2.0
81.06970	17.4
83.08524	4.2
91.05407	37.1
93.06959	12.7
95.08520	17.4
97.06439	2.5
99.08032	9.1
101.06149	1.9
104.45110	1.8
105.06985	33.7
107.08543	4.8
109.06478	3.0
110.95007	1.7
115.05396	4.1
116.06183	3.5
117.06975	76.2
119.08533	25.2
121.00703	3.0
127.36488	2.1
128.06174	10.1
129.06958	53.8
130.07744	4.9
131.08530	60.6
133.10101	11.1
139.01834	8.9
141.06978	10.7
142.07727	4.2
143.08546	44.7
144.09312	3.4
145.10100	90.1
147.11674	11.6
155.08537	10.8
157.10101	31.7
159.11661	84.5
161.13277	2.5
162.03360	3.6
168.09338	2.7
169.10129	19.1
169.93614	2.0
170.10706	2.3
171.11627	13.8
173.09473	2.3
173.13237	22.6
183.11652	15.5
185.11552	3.3
185.13213	100.0
192.42879	2.2
197.13280	14.3
201.16278	4.5
229.19539	8.0
239.17870	26.1
257.18921	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.81811	1.2
53.03882	1.9
55.01803	2.2
55.05438	10.3
55.37654	1.9
57.07008	2.1
57.24547	1.4
59.47778	1.5
65.03858	2.0
67.05417	17.9
69.06982	10.7
71.04907	6.8
79.05399	20.8
81.06974	13.2
83.08543	2.3
84.12500	1.6
85.06485	1.5
91.05402	28.2
91.75513	1.6
93.06973	44.1
95.04912	13.4
95.08529	18.3
102.22595	1.7
102.60321	1.6
103.05376	2.3
105.06976	56.4
105.52044	1.6
107.08537	29.4
109.06476	14.0
109.10088	11.0
111.08014	8.8
115.05386	3.1
117.06987	14.5
117.36250	1.5
117.51923	1.6
119.08530	39.2
121.10093	100.0
123.08017	10.8
128.06175	3.5
128.64317	2.1
129.06937	10.2
131.08540	20.5
133.10092	18.0
135.08009	35.4
135.11649	2.4
137.09587	7.8
139.01788	7.5
141.06923	2.3
142.07739	10.3
143.08510	26.3
144.09305	3.6
145.10086	26.6
147.11630	2.6
149.09605	2.0
155.08521	4.1
156.09305	6.8
157.10081	25.0
158.10791	2.7
159.11650	18.2
163.11217	2.7
164.08492	1.8
169.10075	9.0
170.10796	3.6
171.11676	14.5
173.13213	18.4
182.10939	2.1
182.73486	1.7
183.11661	8.1
185.13254	2.6
187.11137	3.5
197.13264	8.8
199.14781	25.3
200.23526	1.7
201.12753	4.1
213.16429	3.6
215.17897	3.0
239.17873	10.0
257.07004	6.8
257.18945	43.1
259.97150	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41796	1.0
60.08098	13.8
71.07290	2.4
86.09627	27.0
98.98383	4.8
99.48741	1.1
104.10681	100.0
124.99976	35.7
127.03797	1.6
130.08574	1.3
173.02934	1.6
184.07281	14.0
221.40166	1.2
229.99124	1.1
235.31145	1.2
258.07452	12.0
258.10938	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	258.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	3.1
55.01809	2.2
55.37753	1.9
55.48587	1.9
56.96503	21.5
57.03378	2.2
60.08093	14.3
70.06508	14.2
74.02370	2.7
79.05411	2.9
81.03340	12.2
84.04455	4.6
84.08066	12.5
85.02821	3.7
86.09618	28.7
90.25550	2.5
91.05406	12.1
93.06961	5.0
93.29284	2.2
94.96617	2.4
98.97509	36.9
104.10677	100.0
105.03313	10.6
107.08536	4.8
108.34433	2.2
110.07153	3.5
116.98560	49.1
117.06966	43.9
121.06516	3.0
124.99966	24.8
127.82437	2.2
131.08481	4.7
134.99628	53.7
135.08037	11.8
142.03200	3.2
142.08664	3.3
149.09589	2.9
153.00697	19.9
163.07492	3.6
164.02283	3.3
177.09108	9.8
184.07320	14.4
195.10204	5.7
216.05345	29.7
241.10658	4.0
258.07376	24.8
258.10904	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	258.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59949	0.5
52.76598	0.6
53.03891	5.9
53.04090	0.7
55.01808	1.5
55.05447	1.4
56.96489	2.8
57.03363	3.6
57.92360	0.6
58.99522	0.8
60.08070	1.0
61.01075	14.9
67.05414	1.1
68.22555	0.5
69.03333	1.5
69.06944	0.7
70.06506	3.9
75.02636	0.7
79.05407	8.2
81.03336	23.2
81.06980	1.0
83.04914	5.2
84.08051	1.2
85.02795	2.8
86.09604	3.2
87.02617	9.6
88.03899	0.8
89.04190	0.8
91.05407	19.0
92.10308	0.9
93.06965	16.0
94.06487	3.6
95.04868	1.4
96.04403	0.8
97.02811	1.6
98.97490	1.5
104.10694	8.6
105.06962	3.3
107.04886	6.9
107.08536	12.7
108.08060	0.7
109.06480	0.7
110.07095	1.3
111.04389	0.8
115.05417	1.0
116.98602	2.6
117.06966	100.0
118.06452	1.0
119.08544	6.9
121.06451	9.0
121.10069	3.4
122.05923	1.2
124.03982	0.9
124.99944	1.4
125.04635	1.3
125.05926	1.4
126.05476	30.0
127.56424	0.7
131.08514	12.4
133.03146	14.7
133.06458	1.1
133.10051	1.1
134.99559	0.9
135.04399	1.3
135.08015	22.0
136.03893	5.9
136.07574	1.4
137.04694	3.6
137.05962	3.7
138.05507	4.6
139.07611	0.6
140.47107	0.8
145.06474	2.3
148.07498	0.8
149.09598	14.5
152.07080	4.6
153.05399	0.9
153.09076	1.4
159.08028	5.8
161.05945	2.8
163.07515	14.7
164.07027	90.8
165.07825	9.3
177.09077	17.9
184.07245	0.7
187.07545	1.4
195.10129	20.8
205.04985	0.7
205.08585	5.8
209.42473	0.6
210.07571	3.4
212.07376	10.9
217.06898	0.9
223.09546	5.4
240.06886	1.2
241.10652	20.7
251.63924	0.7
258.07886	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	258.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64793	0.5
53.03885	6.0
55.01802	1.5
55.05443	2.8
56.96494	2.3
57.03363	4.5
61.01076	11.9
67.05415	1.5
69.03341	1.4
70.06489	3.1
70.89068	0.5
71.04926	0.7
72.08063	1.0
75.02611	0.7
78.67027	0.5
79.05392	8.4
81.03336	21.7
81.06948	1.4
83.04903	4.8
83.42815	0.5
83.85112	0.5
84.08051	1.1
85.02810	2.3
86.09616	4.9
87.02610	8.1
90.19081	0.6
91.05406	15.9
93.06969	13.1
94.06490	2.8
95.04884	2.4
97.02821	2.6
98.97475	1.0
104.10667	6.3
105.06956	2.9
107.04906	7.5
107.08531	12.6
109.05148	0.6
109.06425	1.3
110.07064	1.0
111.04350	1.0
115.05400	1.0
116.98524	1.0
117.06960	100.0
118.06491	0.6
118.07292	1.2
119.08528	6.5
121.06436	7.2
121.10080	3.2
122.05963	2.3
123.04388	1.4
124.99957	1.1
125.04659	1.3
126.05466	23.6
127.32003	0.6
131.08527	15.4
133.03145	9.8
133.06454	2.6
133.10071	0.8
134.06056	0.6
134.99590	3.1
135.04326	0.9
135.08015	20.4
135.73235	0.5
136.03912	4.1
136.07523	0.9
137.04684	2.3
137.05928	1.5
138.05469	3.4
138.06573	0.6
139.07486	0.9
141.05435	0.9
145.06427	0.9
148.07503	0.9
149.06015	0.8
149.09596	14.0
152.07037	3.8
153.05450	1.4
153.09059	1.1
159.08032	6.6
161.05894	0.9
163.07484	18.3
164.07018	64.7
165.07806	6.7
166.08427	0.6
174.15706	0.7
177.09055	17.8
181.08638	0.8
182.13869	0.6
184.07227	0.9
195.10129	21.9
205.08553	6.6
210.07547	3.4
212.07265	6.1
217.03790	0.8
223.09705	5.0
240.06740	1.3
241.10651	21.8
258.07877	43.6
259.08383	1.4
260.72372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04969	2.0
60.08092	0.6
61.64325	0.5
70.06507	0.6
73.24134	0.4
76.56094	0.5
84.04428	27.7
84.04935	0.9
84.08066	100.0
86.09623	2.6
101.10722	1.1
102.05493	0.8
104.10669	8.9
111.09184	0.7
112.07577	0.4
124.99957	3.4
129.10199	61.7
130.04967	4.8
139.56438	0.5
153.39049	0.5
159.84703	0.6
167.11858	0.5
184.07422	0.6
195.11238	3.5
198.05518	0.5
240.13350	2.4
258.10922	1.0
258.14459	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	258.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21697	0.4
53.21472	0.4
57.07011	12.3
58.06519	2.4
59.31956	0.5
70.06500	1.7
71.08540	4.4
72.08070	38.5
85.10094	1.8
87.70457	0.4
88.07538	2.2
90.09118	26.4
92.10281	0.7
97.16728	0.4
138.86331	0.4
185.25592	0.5
214.25246	0.8
226.59058	0.5
258.27859	100.0
259.28088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23560	2.8
53.06337	2.7
55.01800	6.1
56.04966	3.5
56.96494	16.4
57.03371	5.6
58.06518	3.9
60.08094	16.9
64.50177	2.8
67.28437	3.2
69.03350	15.8
69.06981	3.1
70.06516	28.8
72.08072	14.0
73.38351	3.8
74.02354	7.1
82.06427	3.2
84.04421	42.6
84.08064	69.7
85.02811	14.6
85.08378	3.8
86.09629	37.9
87.09960	5.2
97.02827	72.3
98.05997	6.1
98.97522	19.5
98.98368	5.8
102.54882	3.1
104.10677	100.0
105.11007	39.9
110.07148	7.9
116.98571	23.8
119.01845	13.0
122.76247	3.6
124.99963	53.6
126.00208	3.5
127.04954	11.6
129.10211	17.3
130.05002	5.5
130.08612	6.0
130.10587	6.0
131.01855	4.1
134.99641	22.6
137.02931	6.9
142.03224	6.0
151.04930	5.1
161.01198	6.5
169.06107	14.5
184.07297	13.5
195.01608	4.5
205.05898	3.8
258.10925	13.6
259.04669	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45732	0.2
53.00233	0.4
64.66415	0.3
67.05416	0.3
69.03352	13.8
92.63747	0.3
97.02823	100.0
98.97557	0.5
114.73505	0.4
115.03908	0.5
115.38618	0.3
116.98560	0.6
131.08456	0.3
139.03874	7.0
157.04964	1.5
176.02252	0.4
234.90102	0.4
243.61963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	0.4
53.56942	0.2
61.35472	0.2
62.56675	0.2
64.29717	0.2
67.05438	0.2
68.28006	0.2
69.03346	13.6
69.06972	0.2
76.12815	0.2
79.05449	0.2
81.06953	0.2
85.02788	0.2
87.39633	0.2
91.15565	0.2
93.06997	0.3
95.66094	0.2
97.02820	100.0
105.06918	0.3
107.08477	0.2
113.94892	0.2
139.03882	7.4
140.51273	0.2
157.04916	1.9
160.86009	0.2
169.04466	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	259.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	1.2
56.04972	4.1
56.96495	1.9
57.03367	1.7
59.28667	0.7
60.51781	0.7
61.01091	0.8
68.04951	12.0
69.03342	1.7
69.06959	0.9
70.06551	0.9
72.04440	8.2
79.52940	0.8
80.04929	1.2
81.06972	0.9
84.04431	16.5
86.09629	1.0
91.05412	1.6
97.02838	1.2
98.97500	4.1
112.03902	0.9
115.05351	1.3
116.98565	5.3
117.05650	1.2
117.06995	1.4
118.05651	1.5
118.06498	39.0
130.05093	7.7
130.06496	100.0
132.08052	3.4
134.99615	6.4
135.02788	0.9
142.03172	3.4
142.06503	6.5
143.07288	4.8
144.08075	26.0
146.05994	70.7
159.09158	5.0
160.07472	1.0
168.08075	7.0
169.07605	6.4
170.05966	8.8
186.09081	3.7
188.07028	31.8
195.09195	1.1
206.28964	0.8
213.06897	3.3
215.06195	1.3
215.08078	7.5
241.09773	1.2
242.08211	1.1
249.10330	0.9
253.86641	0.9
259.10739	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39935	1.7
54.81859	2.2
55.01821	2.6
55.05452	22.5
56.96498	8.9
61.59028	2.3
62.82351	1.8
66.62252	2.0
67.05418	18.2
69.03358	3.9
69.06973	4.4
79.05384	15.5
81.06973	22.5
83.04900	8.8
84.04463	2.3
86.00569	7.9
91.05383	23.1
93.06972	9.3
95.04900	4.2
95.08523	12.9
97.02797	3.0
97.06438	4.2
98.97529	21.5
105.06973	52.9
107.08537	21.3
109.06471	12.5
109.10106	54.9
115.03815	2.7
116.98569	36.6
119.08533	100.0
121.10084	11.5
123.08009	5.4
128.78773	2.4
132.01096	4.3
133.06451	4.6
133.10095	74.5
134.99619	33.4
137.09598	30.3
144.08449	2.7
147.08000	10.3
150.22914	2.5
151.07553	26.8
153.00671	10.3
155.10629	4.2
161.09569	25.2
163.11160	9.0
165.09076	30.9
177.00624	2.4
179.10588	36.9
183.10086	17.0
189.09012	8.7
190.95377	2.9
195.01736	4.1
197.11697	34.9
207.10115	10.7
225.11180	11.2
243.12169	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	260.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51899	0.7
53.03876	3.8
55.01802	5.1
55.05449	1.3
56.96490	1.3
57.03371	0.9
58.49933	0.6
67.05420	3.2
68.32967	0.7
69.06979	1.1
70.02874	1.2
71.04887	3.2
72.67020	0.8
79.05398	12.8
81.03333	10.2
81.06955	1.5
83.04883	4.0
85.02804	1.8
91.04825	1.4
91.05396	33.8
93.06966	5.7
95.04877	3.8
95.08562	0.9
97.06464	0.8
98.97506	6.7
105.06975	24.7
107.04859	3.6
107.08530	0.9
109.06477	0.8
109.10104	0.9
115.05386	0.7
116.98553	10.9
117.06956	9.0
119.08528	62.6
123.08017	1.3
123.41690	0.8
125.05936	4.4
128.06181	3.6
129.06956	9.7
130.06464	5.0
131.08528	1.4
133.06438	4.3
133.10086	34.7
134.99615	10.6
137.05910	0.9
137.09579	1.7
139.07487	0.8
139.11116	1.1
143.08540	15.9
145.06477	1.1
145.10196	1.1
146.06023	5.4
146.07037	0.9
147.04459	0.9
147.08018	51.0
153.00668	3.4
158.05914	1.9
161.09579	100.0
162.09984	1.0
163.11107	4.3
165.09056	5.0
171.07919	3.5
177.00655	1.1
179.10635	17.9
189.09061	53.9
190.95285	1.2
195.01649	1.3
207.10129	27.8
215.44919	0.8
225.11160	30.6
244.58795	0.8
260.08987	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1609
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
56.04983	8.4
56.96503	6.8
67.05429	1.0
68.55483	1.0
69.06989	9.8
70.06503	2.1
71.28242	0.8
72.08066	1.3
74.02355	1.8
74.05260	0.9
83.01281	0.8
83.05522	1.4
83.06026	55.6
84.04430	100.0
84.08079	8.8
85.04770	1.2
86.09630	82.4
98.96901	1.9
98.97520	41.6
101.04162	1.8
101.07076	4.1
102.05476	3.7
116.98576	54.8
119.04906	0.9
124.98741	0.8
128.97487	0.8
128.98553	1.2
129.06543	11.4
130.04965	1.6
130.08592	3.4
131.08994	1.1
132.10172	17.2
134.99634	45.6
139.08644	3.9
140.00165	1.3
153.00687	11.0
158.01236	1.9
161.01241	1.4
169.13362	1.0
172.04228	4.1
176.02200	1.0
177.00656	6.7
195.01735	10.4
195.11211	4.8
196.14417	9.1
197.12823	29.8
203.08142	1.0
210.02147	1.2
214.14450	1.0
215.13857	1.2
219.01802	0.9
225.12370	1.4
225.44812	0.8
242.14944	30.2
243.11597	1.5
243.13422	19.0
245.79358	1.0
260.14221	1.5
260.19470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1969
Annotation	Lys Leu
Peak:m/z	Relative Intensity
50.39056	0.3
56.04974	2.4
63.20744	0.3
67.05427	0.6
69.06985	1.6
70.06515	1.4
72.08073	1.7
81.04457	2.4
84.04432	1.7
84.08068	100.0
85.06480	0.3
85.08389	0.3
86.06002	0.3
86.09625	16.9
92.10895	0.6
98.97478	0.5
99.05502	1.6
101.10710	1.2
111.02116	0.3
112.07577	0.4
112.11189	0.4
120.45869	0.3
129.10202	8.0
130.05000	1.7
130.08614	9.9
147.07666	1.8
147.11259	6.9
180.13817	0.6
189.48260	0.3
197.16467	0.5
243.17026	2.7
260.19647	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	260.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	0.6
57.06737	0.7
57.07014	17.7
58.06534	1.2
60.09073	0.4
60.24137	0.5
62.06008	0.7
69.07022	0.9
70.06515	23.2
71.08550	6.3
76.61605	0.5
76.62058	0.5
85.10125	0.9
88.07560	30.3
92.10188	0.5
98.97491	0.9
102.09123	7.5
106.08616	13.5
116.98581	2.0
125.89458	0.5
134.99576	1.1
216.23239	2.2
224.61334	0.5
242.24738	10.3
260.25806	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	261.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47052	0.4
53.37673	0.5
55.01815	5.1
56.62301	0.5
56.96509	2.0
66.28915	0.5
70.02851	1.1
70.06499	1.4
73.02802	0.6
81.06966	0.7
84.04414	0.9
84.08050	2.7
86.09600	3.0
91.05404	0.8
98.02356	5.6
98.06033	0.7
98.97508	2.8
107.04896	0.8
116.04928	81.8
116.98523	2.8
118.06462	0.7
126.03599	0.7
128.04924	4.2
129.99477	1.1
130.06450	1.3
144.04420	65.2
145.05185	3.9
146.05992	5.7
149.04655	5.3
155.79010	0.7
158.05994	0.9
162.05476	4.6
171.05521	5.4
172.03894	100.0
173.07039	5.6
177.04181	6.9
189.06519	13.8
190.04956	23.4
201.06555	38.9
201.08435	1.3
243.07611	11.3
261.08640	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	261.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47052	0.4
53.37673	0.5
55.01815	5.1
56.62301	0.5
56.96509	2.0
66.28915	0.5
70.02851	1.1
70.06499	1.4
73.02802	0.6
81.06966	0.7
84.04414	0.9
84.08050	2.7
86.09600	3.0
91.05404	0.8
98.02356	5.6
98.06033	0.7
98.97508	2.8
107.04896	0.8
116.04928	81.8
116.98523	2.8
118.06462	0.7
126.03599	0.7
128.04924	4.2
129.99477	1.1
130.06450	1.3
144.04420	65.2
145.05185	3.9
146.05992	5.7
149.04655	5.3
155.79010	0.7
158.05994	0.9
162.05476	4.6
171.05521	5.4
172.03894	100.0
173.07039	5.6
177.04181	6.9
189.06519	13.8
190.04956	23.4
201.06555	38.9
201.08435	1.3
243.07611	11.3
261.08640	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	261.1441
Annotation	Gamma-Glu-Leu
Peak:m/z	Relative Intensity
56.04959	3.4
57.81361	0.5
64.33256	0.5
67.27208	0.5
69.06992	10.4
69.89922	0.5
84.04430	72.3
84.16445	0.5
85.02836	1.1
86.09628	100.0
87.09958	0.6
92.10840	0.7
101.64274	0.6
102.05498	1.1
114.05491	0.7
130.04973	8.6
132.10175	17.0
152.10709	0.6
170.11729	3.3
198.11223	8.4
244.11736	4.8
261.14386	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	262.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	1.7
54.81568	1.0
55.01816	25.5
55.05449	6.6
57.03371	2.7
57.07014	4.2
58.99522	1.4
60.06005	0.9
62.27042	0.9
67.05434	17.7
69.03345	8.1
69.06992	27.0
71.01263	1.2
71.04910	9.5
77.20629	1.1
79.05414	27.9
81.03362	1.3
81.06981	28.7
83.04903	7.0
83.08538	1.3
85.06460	13.4
91.05402	8.3
93.06976	52.3
95.04916	13.2
95.08530	30.7
97.06462	23.2
99.04391	12.0
105.03339	21.4
105.06985	24.7
107.04913	2.6
107.08540	75.1
109.06458	14.7
109.06947	0.9
109.10101	2.1
111.08037	5.5
111.11669	4.0
111.24874	1.0
113.05961	7.3
116.01596	2.0
117.06963	4.9
119.08559	13.5
121.06458	16.4
121.09231	2.1
121.10098	59.2
121.92030	1.1
123.08009	16.6
125.05953	2.4
127.05782	2.4
130.07727	1.6
131.08549	5.3
135.08049	4.7
135.11665	24.1
139.11177	16.4
144.08423	1.4
145.08830	4.6
145.10091	23.3
149.09575	12.9
151.07527	8.6
153.12750	1.5
163.11147	46.6
167.10640	19.3
169.08565	100.0
173.09601	2.2
181.12209	21.4
185.11696	8.9
191.10594	14.1
209.11690	10.7
227.12746	66.9
245.13791	48.7
262.12897	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	262.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56119	0.4
55.05431	0.5
56.04976	20.7
57.06737	0.6
57.07014	18.7
58.06535	11.1
60.04445	3.1
68.04950	1.0
69.06989	0.5
70.25185	0.4
71.08544	3.7
74.05990	15.5
85.10101	3.2
86.05961	2.6
86.18467	0.4
88.07554	80.4
92.10188	0.8
104.07051	1.1
118.08605	11.0
122.08108	6.9
143.83627	0.4
177.12671	0.6
182.18993	0.5
200.20003	0.7
214.21626	82.2
215.21947	0.6
237.41661	0.6
244.22736	3.3
262.23712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35942	0.5
54.81397	0.5
57.06742	0.5
57.07011	14.1
58.06511	0.6
59.41391	0.5
66.22316	0.4
69.06980	0.5
69.47336	0.4
70.06512	30.4
71.08551	8.8
73.24723	0.4
74.61501	0.5
79.91441	0.5
84.08070	2.1
86.05954	0.6
86.09599	0.6
88.07555	28.7
89.03852	0.4
94.29378	0.5
102.09111	1.0
106.08617	4.0
114.09122	11.2
118.08591	4.0
119.01859	0.8
123.47239	0.6
130.08595	0.7
131.01862	0.6
132.10175	36.8
150.11234	30.4
169.08560	0.6
170.64903	0.6
186.18513	2.5
200.20125	1.1
216.62985	0.5
218.21126	11.5
262.23718	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	262.2374
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
57.07004	17.9
58.06523	3.9
60.04468	0.9
70.06137	1.6
70.06507	37.2
71.08539	10.6
88.07551	46.7
102.08484	1.4
102.09113	28.8
152.89264	1.1
156.17328	1.9
166.31660	0.9
200.20049	84.5
244.22749	4.9
262.23703	100.0
263.23956	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81605	4.6
55.01817	7.1
55.05446	17.8
56.17103	2.9
67.05431	26.9
68.53234	3.4
69.03346	17.8
69.06982	22.3
70.06506	8.1
71.04919	7.3
72.08066	6.1
79.05428	25.9
81.06971	31.7
83.04896	4.4
85.06464	4.7
88.02119	4.3
88.20950	3.6
89.50586	3.2
90.01724	3.4
91.05388	16.3
93.06978	80.3
95.04916	8.8
95.08538	15.9
97.06477	7.5
99.04385	7.5
103.13181	5.2
105.06988	28.8
105.29877	3.6
107.08539	71.2
109.06484	15.8
109.10088	4.2
110.07106	20.2
116.98598	3.8
119.08501	14.4
121.06460	17.6
121.10107	58.5
134.99628	3.5
135.08017	16.5
135.11649	23.1
145.10109	16.4
149.09561	5.0
153.09081	8.9
163.11188	62.7
167.10641	5.0
168.51031	3.8
169.08549	8.8
170.51743	3.6
181.12161	43.4
191.10616	5.8
209.11774	7.9
227.12810	17.5
263.08853	100.0
269.83749	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	263.1388
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
55.22113	0.3
66.49443	0.3
70.06508	36.1
78.34492	0.3
88.53764	0.3
90.03581	0.4
92.10342	0.7
93.06961	2.4
100.30408	0.4
103.04755	0.4
103.05408	8.0
107.06608	0.4
116.07040	55.8
120.08054	100.0
121.08431	0.5
180.31087	0.4
224.93307	0.4
258.42932	0.4
263.13852	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	263.1388
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
56.33045	0.3
70.06512	33.0
75.88175	0.3
78.07807	0.3
91.05386	0.4
92.10825	0.4
93.06979	2.5
95.04890	0.3
103.05403	8.5
116.07047	50.5
120.08061	100.0
121.08425	0.7
123.77829	0.3
146.06001	1.6
201.50464	0.4
263.13843	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	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.66521	6.3
55.05445	10.9
57.06994	9.4
60.36098	5.4
63.19512	5.9
67.05428	86.6
69.06986	12.1
79.05396	26.7
79.34591	7.5
81.06973	100.0
91.05428	9.0
93.06993	10.2
95.08537	80.9
97.06470	7.2
105.01540	6.8
105.06976	9.4
107.08588	6.7
109.10114	30.6
121.10089	12.1
139.18320	6.8
182.93207	6.4
191.66931	6.9
198.98944	8.3
245.22586	12.8
263.23642	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96502	100.0
57.68069	0.7
69.06960	0.7
69.57356	0.8
72.37979	0.8
72.64668	0.7
72.95948	1.1
74.97524	1.7
74.98537	0.7
83.97542	1.5
96.78425	0.7
98.97517	13.2
102.47829	0.7
111.33897	0.6
111.96085	0.7
116.98568	9.9
116.99321	1.2
120.08078	1.3
134.99608	6.7
162.97844	0.9
167.03757	1.2
176.03790	12.3
178.05370	13.7
181.01534	1.0
183.03214	4.1
194.04893	11.8
196.06445	20.4
201.04349	8.2
204.03247	3.2
208.02754	1.1
210.04372	1.1
222.04341	34.3
226.03954	6.7
240.05388	41.4
245.05391	0.8
260.13220	0.8
264.05350	9.3
282.06390	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39783	0.2
65.03871	0.3
67.05420	0.4
69.06991	0.3
71.04922	0.2
76.56396	0.2
79.05421	1.0
81.03331	0.4
81.06989	0.4
82.07397	0.2
87.04397	2.7
91.05410	11.6
93.06973	1.0
95.08538	0.4
98.97554	0.2
100.07550	3.5
103.05412	0.9
105.06969	0.4
107.08581	0.2
118.08607	7.7
119.04899	40.5
119.08528	0.4
131.04904	1.6
132.57326	0.2
133.10147	0.2
141.29730	0.2
147.04391	100.0
148.04718	0.3
149.09563	0.2
165.47324	0.2
170.23361	0.2
174.52733	0.2
187.93739	0.2
188.18988	0.2
211.13260	1.0
217.30666	0.2
264.12186	3.3
264.14633	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	265.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15150	0.6
52.96637	0.6
55.05456	0.7
56.04976	18.3
56.96495	3.3
57.03382	0.6
58.99512	4.4
60.52355	0.6
61.01087	12.8
67.05393	0.7
69.03345	0.7
69.06974	1.3
69.09358	0.6
69.82395	0.6
70.06506	3.8
71.26762	0.8
72.08063	0.8
74.05986	1.1
75.02613	1.2
76.02159	2.3
83.06010	0.8
84.04430	7.3
84.08060	1.5
85.02828	1.5
86.09633	0.8
87.02614	1.2
88.02140	100.0
88.03905	13.1
91.05399	1.4
102.05477	4.2
104.05272	25.0
104.05939	1.6
105.06957	0.9
107.08585	0.8
116.05317	0.9
116.98590	0.8
120.08055	1.1
122.07099	1.1
130.04924	4.9
131.08556	1.2
133.03160	19.8
146.05977	1.2
150.05815	23.4
152.48892	0.7
162.05748	1.2
171.05841	13.6
171.07266	1.1
197.01018	0.7
217.06364	4.0
219.06152	1.7
231.97815	0.8
265.06760	10.9
265.09485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1116
Annotation	Thiamine
Peak:m/z	Relative Intensity
54.03421	0.3
58.95862	0.3
61.77387	0.2
73.36197	0.3
78.90771	0.3
80.04926	1.6
81.04463	19.0
86.09615	1.3
90.60012	0.3
92.64315	0.4
95.06018	3.6
96.06349	1.7
110.07094	0.4
113.02912	0.4
122.07109	100.0
123.66417	0.3
126.03683	1.3
126.05476	2.0
127.05856	1.5
144.04767	27.7
220.10730	0.4
221.11082	1.4
265.11078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	12.0
67.05428	28.3
69.03340	27.7
69.06961	4.9
71.04929	6.6
72.08068	18.7
74.35612	4.1
79.05393	10.6
81.06967	11.8
83.04909	6.4
84.04414	6.5
91.05408	64.7
93.06972	45.7
95.04900	37.9
95.08540	11.3
97.06458	4.9
105.06973	68.1
107.08528	28.8
109.06480	30.0
111.04387	25.9
113.05958	9.6
114.36382	5.2
117.06974	27.2
118.06499	31.0
119.08530	100.0
120.08042	9.0
121.06477	48.1
123.07987	23.9
128.06190	4.6
129.06917	11.2
131.08530	45.0
133.06442	9.5
133.10121	11.3
135.08011	59.0
136.07515	8.5
141.06943	8.4
142.07759	18.2
143.08537	18.3
145.06474	10.2
145.10112	28.7
146.05846	5.8
146.07072	5.3
147.08017	37.4
147.11693	5.8
149.09586	7.0
155.08545	7.1
156.09296	7.4
157.10085	9.9
158.07220	18.3
159.08052	25.1
159.11638	36.9
161.09581	30.4
165.09024	7.1
171.11664	5.6
172.08772	11.4
173.09569	9.2
173.13225	9.9
175.07471	45.4
175.11125	9.7
181.06470	5.7
185.09610	6.5
186.10355	5.8
187.11160	30.0
196.08838	9.9
199.11189	5.8
201.12701	11.3
203.10674	19.6
211.11189	6.7
229.12149	11.5
247.13200	18.6
260.12927	5.7
265.12906	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.143
Annotation	Populene F
Peak:m/z	Relative Intensity
54.91801	8.6
55.05455	9.2
57.06616	9.0
60.74723	9.8
61.49535	10.7
63.71839	10.5
65.50586	10.3
67.05415	21.1
67.89437	9.3
69.03338	18.5
70.17824	9.0
72.85634	10.8
79.05398	18.2
81.06981	14.0
83.04903	19.9
84.53770	11.1
91.05402	27.8
93.06960	62.0
95.04895	65.0
105.06989	100.0
107.08568	18.5
109.06437	21.4
111.04397	64.4
117.07074	34.8
117.76334	10.7
119.08521	68.1
121.06465	20.5
121.10139	13.6
123.07976	10.7
123.84783	11.0
129.06960	17.8
130.07758	12.0
131.08577	62.5
133.06439	24.1
135.08032	42.7
142.07759	10.2
143.08545	18.6
145.10104	13.7
147.08014	46.9
149.09608	14.2
158.07216	19.1
159.08084	38.1
159.11732	26.0
161.09554	14.9
163.07584	14.3
172.08760	19.0
173.13185	12.9
175.07520	71.8
183.11717	15.3
187.11189	47.5
193.08598	48.5
201.12704	15.0
223.33067	13.5
247.13258	14.8
265.14374	86.5
284.34430	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	265.1431
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
52.17429	1.5
53.03884	7.3
54.31131	1.4
54.47038	1.5
54.93420	1.4
55.01800	2.7
55.05443	10.0
57.07010	15.9
58.07325	2.4
60.18971	1.5
65.03865	2.7
66.67115	1.5
67.05418	10.9
68.99715	3.7
69.03348	32.3
69.06991	2.8
70.06505	18.9
71.06844	8.0
71.08549	2.9
71.87150	1.6
79.05412	21.6
81.06985	13.6
83.04900	44.3
83.05354	3.1
83.08521	2.3
87.00919	1.8
88.07558	20.3
89.07875	10.9
90.08007	2.4
91.05408	38.0
93.03345	3.7
93.06972	44.6
93.34341	1.6
95.04919	17.7
95.08543	8.2
97.02814	7.4
97.06504	3.2
102.09126	10.3
103.05357	2.3
103.09450	4.2
105.06972	35.8
107.04881	7.4
107.08531	66.1
109.02814	25.1
109.06475	25.3
109.10130	4.0
111.04403	15.4
111.08035	3.9
115.05401	7.4
117.06972	24.2
119.08530	44.0
121.02843	3.0
121.06453	66.6
121.10087	10.4
123.08041	9.7
128.06195	7.1
128.68237	1.7
129.06969	10.7
131.08516	30.8
133.10095	18.3
135.08014	100.0
135.11719	2.2
137.05978	3.0
137.09579	6.9
141.06976	3.2
142.07799	3.7
143.08540	18.8
144.09300	13.6
145.06441	17.3
145.10089	23.2
147.08080	9.1
149.06007	4.0
149.09619	22.2
150.10298	2.6
151.07515	2.3
151.11208	3.4
153.06943	2.5
155.08543	7.6
157.10114	6.8
158.07323	2.4
158.10867	23.1
159.08051	11.1
159.11638	39.9
160.08774	2.2
161.09668	3.0
162.71825	1.8
163.07481	34.7
163.11171	9.2
168.09319	7.9
170.10867	3.5
171.08041	10.0
172.08772	23.9
173.09590	33.1
173.13235	50.5
177.12698	2.2
183.11671	9.6
186.10376	37.7
187.11136	100.0
189.09076	2.3
191.06937	14.5
196.08730	2.8
200.20033	13.8
201.12709	60.0
201.20377	11.9
202.20695	24.7
203.14401	2.6
203.20914	3.1
205.12219	13.6
206.34413	2.1
211.11136	4.1
214.09972	2.1
219.13680	14.5
229.12148	45.4
247.13216	34.6
264.24274	58.1
265.14084	2.1
265.24524	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
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
55.05446	15.6
57.03402	3.8
59.04921	4.2
62.40532	3.4
64.32784	3.0
65.03873	7.3
67.05425	25.3
69.03349	28.0
71.04903	7.9
72.55470	3.0
75.68707	2.8
79.05405	24.3
81.06979	20.8
83.04908	5.6
85.36425	3.3
85.95370	3.2
88.58382	3.1
89.82372	3.1
90.78741	3.2
91.05407	65.4
93.03336	7.2
93.06961	44.3
95.04893	47.1
95.08542	20.0
105.06984	82.7
105.21996	3.0
107.08524	22.4
109.06472	32.9
109.10137	4.2
111.04400	30.0
111.08052	5.9
113.05958	5.9
115.05435	7.6
116.06154	6.6
117.06936	27.1
119.08531	100.0
120.08078	13.2
121.06460	49.3
121.10099	14.8
123.07978	26.1
128.06165	6.8
129.06958	28.3
130.07739	6.1
131.08536	38.8
133.06464	4.9
133.10115	18.7
135.04518	3.6
135.08026	66.8
137.09639	6.8
141.06909	6.1
142.07742	15.4
143.08545	24.6
144.09251	4.4
145.06476	14.3
145.10118	36.9
146.07272	7.1
147.08051	42.2
147.11673	16.0
149.09618	8.6
155.08527	5.8
156.09346	4.8
157.06406	3.9
157.10106	16.1
158.07272	31.2
159.08009	40.3
159.11658	28.8
161.09596	34.6
162.09152	4.5
165.09068	18.8
168.09325	4.0
171.07988	5.9
171.11705	3.8
172.08772	28.1
173.09613	5.2
173.13237	23.2
175.07504	48.0
175.11111	25.9
183.11642	7.1
184.10455	3.4
186.10355	4.3
187.11150	23.4
189.09085	4.2
189.12732	5.2
193.08572	4.3
196.08827	5.4
199.11201	6.2
201.12706	28.5
203.10558	25.8
211.11139	18.3
217.12379	8.2
229.12262	21.9
247.13245	31.4
265.14212	41.9
283.83054	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	265.1434
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03886	2.9
54.42036	2.3
55.01798	3.0
55.05449	13.4
65.03855	4.8
67.05422	32.0
69.03342	31.4
71.04912	5.5
79.05389	22.5
79.89819	2.6
81.06982	14.5
83.04917	14.9
91.05412	62.7
93.03311	3.8
93.06978	41.0
95.04897	45.0
95.08558	22.0
105.03339	4.5
105.06988	65.4
107.08540	17.7
109.06467	28.5
109.10090	3.7
111.04384	23.0
113.05978	7.1
115.05411	13.1
116.06204	3.9
117.06971	18.5
119.08533	100.0
121.02795	5.8
121.06469	47.0
121.10101	6.3
123.07978	22.6
128.06212	4.2
129.06961	14.7
130.07748	5.7
131.08524	47.2
133.06451	7.0
133.10094	19.6
135.08034	67.0
137.09575	5.5
139.03825	3.4
141.06992	12.1
142.07777	14.9
143.08548	12.8
144.09338	11.0
145.06448	7.1
145.10110	33.1
146.07191	6.2
147.08044	42.3
147.11665	15.5
149.09607	6.3
155.08539	13.3
156.09389	3.3
157.06407	3.6
157.10086	13.1
158.07231	30.8
159.08008	31.9
159.11671	29.6
161.09605	33.9
161.10881	4.2
165.09088	17.9
166.07658	3.1
168.09352	12.6
169.10141	5.1
171.07988	6.6
172.08800	20.2
173.09567	20.1
173.13222	14.3
175.07561	40.5
175.11182	24.9
175.96017	3.3
183.11578	9.1
185.09644	4.1
186.10384	4.0
187.11195	25.0
189.09094	5.5
189.12814	6.8
193.08659	3.9
199.11092	11.8
201.12698	17.0
203.10638	19.5
211.11142	4.7
217.12167	7.2
229.12271	12.8
247.13246	28.2
265.14279	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	265.1433
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
53.03878	3.3
55.01809	3.6
55.05442	8.8
63.56787	3.7
65.03851	4.9
67.05426	22.8
69.03349	34.2
69.06979	4.8
71.04891	5.8
71.69903	2.9
72.08050	5.3
79.05424	25.7
81.06976	22.7
82.68167	3.4
82.69366	3.0
83.04914	5.7
91.05411	65.1
93.03310	3.8
93.06966	44.1
95.04915	37.8
95.08513	17.7
97.06489	5.8
99.04370	3.6
103.05388	14.7
104.22397	4.1
105.06979	74.3
107.08539	21.7
109.06474	24.0
110.16169	3.2
111.04412	19.4
111.08042	7.3
113.05973	7.7
115.05386	6.0
116.06184	6.4
117.06990	17.2
119.08543	100.0
120.08059	67.0
121.06470	39.3
121.10144	5.4
123.08041	22.3
128.06252	5.2
129.06960	22.0
130.07735	4.3
131.08524	37.2
133.06479	5.8
133.10110	23.8
135.08020	56.9
137.09598	8.8
141.06999	7.4
142.07751	7.9
143.08545	7.9
144.05693	4.2
144.09320	8.1
145.06487	8.0
145.10136	33.0
147.08028	38.8
147.11664	8.9
153.06944	4.2
154.76257	3.9
155.08513	6.6
156.09251	5.7
157.06493	4.3
157.10100	17.7
158.07265	21.4
159.08028	29.7
159.11687	25.9
160.08762	4.7
161.06027	6.8
161.09644	26.2
165.09117	15.6
168.09343	8.4
169.10060	3.8
171.07970	8.3
171.11644	4.3
172.08815	24.9
173.09581	8.9
173.13194	8.0
175.07565	42.2
175.11153	21.3
183.11659	8.6
185.09529	6.6
186.10399	5.7
187.11154	23.5
189.12796	4.4
193.08560	5.1
196.08830	7.5
199.11229	7.0
201.12752	17.1
203.10678	17.9
211.11172	6.0
217.12172	4.6
229.12088	11.7
247.13239	18.0
265.14401	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.19225	2.8
54.17498	2.7
55.05439	13.9
65.03864	4.1
67.05418	24.5
69.03358	40.9
69.06976	7.8
70.06571	3.0
71.04890	4.8
79.05426	24.4
81.06973	20.6
83.04900	6.9
91.05411	60.0
93.03323	5.6
93.06966	44.0
95.04893	46.3
95.08534	22.6
99.04380	4.4
103.05376	4.9
105.06979	82.4
107.08568	25.2
109.06477	30.1
111.04402	30.4
111.08031	5.4
113.05976	5.9
114.38441	3.8
115.05436	4.1
116.06185	4.2
117.06997	26.7
119.08545	100.0
121.02792	6.3
121.06474	43.9
121.10085	7.3
123.08036	27.4
128.06161	5.9
129.06958	28.8
131.08549	56.2
133.06459	6.4
133.10063	15.9
135.08015	69.7
137.09608	6.8
139.07487	3.6
141.06987	16.6
142.07741	18.0
143.08533	16.3
144.05678	6.5
144.09302	6.4
145.06447	19.2
145.10132	27.3
146.07254	3.6
147.08015	38.4
147.11696	12.1
149.09596	4.0
154.07758	5.3
155.05966	3.2
155.08577	7.6
156.09285	4.4
157.06512	4.0
157.10080	20.9
158.07249	32.9
158.10782	3.6
159.08038	33.8
159.11658	39.6
160.08833	4.5
161.09570	33.0
165.09081	19.6
168.09286	12.5
171.07974	6.2
171.11629	7.5
172.08803	27.3
173.09583	15.1
173.13217	13.7
175.07533	42.9
175.11174	32.8
181.06425	5.8
183.11626	6.6
185.09541	3.8
186.10417	4.8
187.11111	27.8
189.12653	7.9
193.08585	5.4
196.08710	5.6
199.11130	5.4
201.12749	21.8
203.10565	25.1
211.11116	8.0
217.12183	7.9
219.13782	5.2
227.05881	3.2
229.12178	18.3
247.13168	19.1
265.14310	37.4
273.50870	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	265.1433
Annotation	Hirsutic acid C
Peak:m/z	Relative Intensity
53.03885	3.3
55.01806	6.2
55.05449	5.6
56.61033	2.2
57.06999	12.2
59.04932	5.8
59.27086	2.2
65.03857	4.1
67.05424	26.6
68.99700	3.0
69.03345	16.8
69.06985	4.7
71.04900	2.4
79.05404	25.2
81.06968	14.5
83.04888	13.4
83.08564	2.8
85.02841	3.9
86.91782	2.2
91.05424	34.1
91.05960	3.3
93.03337	3.7
93.06971	27.4
95.04890	13.3
95.08529	5.8
96.97495	2.7
97.02847	2.7
97.06465	4.0
97.10105	2.6
103.05441	2.7
105.06962	22.4
107.04887	3.7
107.08537	73.8
109.06460	34.1
109.10109	10.8
111.04433	3.2
111.08039	24.1
115.05418	11.9
117.06953	35.4
119.08534	48.8
121.06450	44.4
121.10119	16.6
123.08060	5.4
125.05914	2.4
125.09576	9.9
129.06952	2.4
131.08559	13.4
133.06433	4.6
133.10121	5.3
135.08017	100.0
135.11649	5.8
137.09587	4.8
139.03883	11.8
143.08545	4.5
144.09346	2.7
145.06453	24.2
145.10182	3.3
147.08046	10.9
149.05934	12.6
149.07011	2.9
149.09595	9.7
151.07529	13.5
153.09030	17.4
157.10081	3.5
158.10884	5.0
159.11682	15.3
161.09641	3.5
163.07527	56.6
163.11205	3.5
169.10104	2.4
170.10806	2.9
172.08746	5.1
173.05888	3.8
173.09601	2.7
173.13223	15.2
177.12715	5.4
181.08603	20.4
186.10397	5.5
187.11174	17.1
191.07054	10.5
201.12772	5.6
205.12196	6.3
209.08080	38.1
247.14423	11.0
265.10208	4.7
265.11633	3.1
265.14267	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	265.1435
Annotation	Cybrodic acid
Peak:m/z	Relative Intensity
53.03905	3.4
54.04576	3.0
54.05146	2.9
55.01809	4.1
55.05453	19.6
55.29942	3.2
56.96503	27.3
57.03373	3.8
65.03861	4.8
67.05431	38.2
69.03336	36.2
69.06993	6.2
70.06502	9.1
71.04913	7.6
74.02344	3.9
79.05405	27.0
81.06982	21.3
83.04884	5.7
83.06031	4.7
84.08079	4.6
85.02804	6.2
85.94408	3.6
91.05404	50.5
92.10853	4.9
93.06946	37.5
95.04887	58.9
95.05995	5.4
95.08522	8.7
97.02832	6.7
98.97537	8.3
105.03342	33.5
105.06976	64.6
107.08544	24.8
109.06463	26.7
111.04408	18.6
111.08022	6.0
113.05954	7.0
115.05366	7.4
116.98548	6.0
117.06970	20.5
118.06518	4.6
119.08540	100.0
121.02811	6.0
121.06438	41.9
121.10085	18.2
122.07231	4.0
123.08031	20.8
128.06177	9.0
129.06961	17.7
130.07744	5.3
131.08537	46.0
133.06454	8.0
133.10075	22.0
134.99620	8.7
135.08026	63.3
137.06009	4.5
137.09534	3.7
138.98840	4.5
141.07007	7.0
142.07762	16.2
143.08534	24.4
144.05708	4.4
144.09285	9.3
145.06445	18.0
145.10095	34.9
146.06000	16.1
146.07121	3.8
147.04329	4.3
147.08008	38.5
147.11664	8.6
149.09723	3.8
155.08540	4.8
156.09346	7.6
157.10121	16.4
158.07153	27.7
158.10837	6.4
159.08020	41.8
159.11664	35.0
160.08713	4.1
161.09604	33.5
165.09068	16.3
166.06232	4.0
168.09253	5.5
171.08028	4.6
171.11696	9.2
172.08780	16.4
173.09615	16.9
173.13271	5.2
175.07506	48.9
175.11157	37.9
177.08534	6.2
179.10089	5.3
183.11658	9.1
187.11121	29.2
189.05197	35.3
189.12679	6.9
193.08525	7.3
196.08823	6.5
199.11099	8.3
201.00710	8.9
201.12683	26.7
203.10646	20.4
211.11241	6.6
217.12224	14.6
219.01665	4.4
219.09511	5.3
219.13741	6.6
229.09837	4.4
229.12167	6.3
242.03264	4.1
247.13387	28.3
264.96570	4.1
265.10208	6.8
265.14316	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	266.036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58797	0.3
54.81886	0.3
55.96885	0.3
59.01948	0.4
76.93322	0.4
80.62713	0.5
86.27505	0.4
90.88457	0.4
101.00803	2.1
119.01879	21.0
134.99896	0.5
137.02933	9.0
137.98262	0.4
153.00896	0.9
158.99867	0.4
167.67432	0.4
177.00922	45.3
178.00905	0.5
178.26003	0.5
193.04034	1.0
195.01984	1.7
201.00832	1.9
201.02507	0.8
217.04005	5.0
219.01970	48.0
220.02164	1.9
224.75789	0.5
225.00914	0.7
243.01733	3.2
261.03012	100.0
262.03186	1.6
284.04697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37276	0.5
56.96494	1.1
57.07010	1.1
59.04914	0.7
59.74956	0.5
60.04457	13.7
61.38243	0.5
65.03854	0.9
67.05431	0.7
69.03316	0.5
70.02852	2.0
70.06501	0.8
79.05428	0.6
88.03913	68.7
91.05403	100.0
92.53121	0.6
93.06994	0.6
98.97525	0.6
102.05476	78.0
107.08540	1.0
116.98532	0.7
117.06971	0.7
119.04886	1.0
120.05190	0.6
142.13873	0.6
146.05969	1.0
147.04373	2.8
148.04713	3.4
148.06006	24.9
206.08090	0.8
220.09631	3.6
229.23846	0.6
234.07462	0.8
237.02606	0.6
266.10269	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1201
Annotation	2'-Amino-2'-deoxyadenosine
Peak:m/z	Relative Intensity
55.05443	2.1
57.06995	2.6
59.54682	1.3
63.16791	1.5
67.05421	6.4
68.38337	1.3
69.03336	2.3
69.06992	2.3
79.05414	3.2
81.06971	6.3
89.79429	1.6
91.05400	1.5
92.10234	1.5
93.06950	1.7
95.04887	1.7
95.08536	6.6
105.03308	2.0
105.06918	1.6
107.08536	1.9
119.08583	1.5
119.13551	1.3
134.99557	1.8
136.06139	8.4
140.02336	1.4
157.91713	1.6
181.05019	1.5
202.64981	1.7
208.20497	1.4
267.11984	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1336
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
56.04724	0.9
56.04979	22.8
57.03363	4.3
58.06540	5.4
64.59782	0.5
70.06515	0.8
74.05995	100.0
75.04392	0.9
84.04424	5.4
84.08081	0.7
91.05405	1.3
101.07050	1.4
103.05396	3.1
107.04839	0.8
110.09806	0.6
118.28627	0.6
120.08063	72.0
121.06511	2.1
130.06523	2.1
131.04918	1.3
136.06158	5.1
146.05981	1.2
158.09663	1.1
166.08598	23.8
176.10693	0.9
176.17664	0.6
203.11737	1.1
221.12787	4.2
241.53049	0.7
249.12277	3.9
267.13358	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	267.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75756	0.3
53.00256	1.7
54.21391	0.3
56.30404	0.4
56.96498	0.5
57.03381	0.9
57.07005	0.4
61.02865	1.4
67.05421	0.8
69.03350	3.6
69.06991	100.0
70.06503	0.9
75.18127	0.3
76.55835	0.4
80.16009	0.4
81.03349	0.6
84.04382	0.5
84.08053	0.4
85.02832	13.7
87.08035	47.8
97.02844	2.0
105.09088	15.5
107.03767	0.4
107.04937	1.6
109.02847	0.9
120.08066	0.9
127.03896	0.7
128.32320	0.4
136.06163	18.8
181.39044	0.4
258.23431	0.4
268.10394	0.6
277.07297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99212	0.2
55.01797	0.4
55.89502	0.2
56.96490	0.4
57.03359	0.5
63.27706	0.2
66.09796	0.3
67.05399	0.3
68.09930	0.3
69.03334	0.3
69.06982	1.1
70.06508	2.7
70.07311	0.4
73.02835	0.3
74.01980	0.4
74.02354	9.3
79.05414	0.4
84.08078	2.0
85.02824	0.7
86.09602	0.5
87.08008	0.3
88.03915	16.0
91.05389	1.3
93.37743	0.2
94.04021	0.4
95.04888	0.4
99.70083	0.3
103.05384	0.4
107.04896	47.8
110.07073	1.0
114.37234	0.3
116.03388	4.4
116.98502	0.3
119.03501	0.6
120.08100	0.7
129.10161	0.4
133.96436	0.3
134.04451	11.5
136.06158	100.0
137.04582	0.3
147.04393	0.5
155.20473	0.3
185.02869	0.3
222.07716	0.3
222.11240	0.5
250.06958	0.6
268.07904	0.4
268.10345	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	268.1039
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01800	0.4
57.03363	1.1
59.04941	0.2
61.30016	0.2
67.41041	0.2
67.48183	0.1
69.03342	0.3
70.06478	0.2
73.02820	0.4
74.71851	0.2
85.02831	0.3
104.10671	0.2
107.04876	0.3
119.01883	0.2
119.03482	1.0
127.99992	0.2
136.06165	100.0
137.04575	1.0
137.06535	0.3
138.05466	0.4
200.78290	0.2
233.31175	0.2
268.10352	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	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01807	0.3
57.03370	0.6
58.95144	0.1
64.76006	0.2
69.03351	0.2
71.01266	0.2
73.02827	0.2
73.13303	0.1
85.02850	0.2
87.83199	0.1
89.72862	0.1
94.03989	0.7
119.03503	1.3
121.19789	0.1
127.62179	0.1
136.06169	100.0
137.04573	1.1
141.61160	0.2
178.19064	0.2
268.10333	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	268.9457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61424	9.3
79.58211	9.4
81.77560	10.6
94.92919	14.8
215.22099	12.1
238.81104	12.1
268.94519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0954
Annotation	Phe Cys
Peak:m/z	Relative Intensity
51.22282	0.2
51.74912	0.2
52.52589	0.2
55.38769	0.2
56.96498	0.4
63.52348	0.2
64.33029	0.2
67.05444	0.2
68.22973	0.2
70.06504	0.5
72.08070	0.2
73.02818	0.2
73.89356	0.2
77.03846	0.2
79.05402	0.4
80.04933	0.3
83.01270	0.3
86.00608	0.2
91.05414	1.3
93.06991	2.6
95.04897	1.3
98.97493	0.3
103.05405	8.3
105.03350	2.3
105.04447	0.2
116.98576	0.2
120.08061	100.0
121.08399	1.0
136.06169	2.8
137.06532	0.9
195.18210	0.2
224.40535	0.2
251.08363	0.3
269.09598	2.6
289.81976	0.2
292.08542	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	269.1647
Annotation	Daimuron
Peak:m/z	Relative Intensity
55.42953	0.3
56.96504	5.3
64.75067	0.3
65.03861	1.8
67.05441	0.4
67.99472	0.4
72.04430	19.2
74.76142	0.3
80.14846	0.4
81.06976	0.4
84.95939	0.6
85.02842	0.4
91.05405	100.0
92.05742	0.4
93.06913	0.4
95.08443	0.4
98.97519	2.8
99.02747	0.4
101.07093	0.8
104.74699	0.4
104.99248	0.5
105.06974	0.5
107.08524	7.5
108.08888	2.0
109.10100	0.4
116.98592	3.0
119.08540	1.6
123.03844	1.8
128.98584	1.5
134.99635	1.7
135.07997	6.0
136.06186	0.8
136.08362	2.6
136.11215	2.9
137.06525	1.6
146.99654	2.1
161.01221	0.4
165.06970	0.6
166.07774	2.1
166.77007	0.4
169.55339	0.6
173.01210	0.9
178.55975	0.5
181.10069	3.0
189.53084	0.4
236.08812	0.4
267.81561	0.4
269.08090	0.4
269.16489	2.8
281.03809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97421	6.1
55.05225	6.6
55.05448	79.9
57.07003	42.9
67.05412	45.9
69.06989	100.0
71.08562	13.4
73.94420	7.4
79.05399	39.1
81.06956	69.9
83.08527	60.3
86.79330	7.8
93.06962	44.9
95.08533	19.0
97.06445	15.1
97.10097	41.3
104.27231	7.5
104.99194	42.9
105.40929	8.5
107.08544	19.2
109.10090	15.0
121.10091	43.1
135.11630	39.1
136.06171	9.2
219.21025	35.6
237.22072	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	270.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18274	0.5
53.03883	2.4
55.01807	3.5
55.05462	5.8
55.83654	0.4
57.03382	7.0
61.02569	0.5
61.02858	11.1
69.03011	0.8
69.03357	18.5
70.06504	3.3
70.75417	0.5
71.04906	3.3
73.02828	3.7
73.06474	30.0
81.03342	7.2
81.45551	0.5
83.01267	0.5
85.02835	100.0
87.04399	3.4
91.03899	3.7
97.02828	21.8
99.04379	3.6
101.02328	0.6
104.00124	0.5
109.02849	7.9
110.07106	1.0
115.52493	0.6
122.07042	0.7
127.03888	17.3
131.01828	0.6
136.06155	1.1
139.05011	5.2
140.03419	6.2
141.80621	0.6
145.04945	20.3
151.90436	0.5
163.06006	7.8
170.19843	0.7
242.32857	0.6
253.12752	2.6
271.05942	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	270.2788
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
50.50684	0.8
57.07007	12.1
58.02901	11.4
69.06978	1.2
71.08533	4.3
85.10107	1.2
88.07548	4.0
95.09382	1.0
102.09109	13.6
103.03928	0.9
108.30344	1.0
116.10677	4.8
195.41699	0.9
270.27853	100.0
271.28119	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2789
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
53.06419	0.7
55.05437	0.7
57.07008	10.8
67.05440	0.8
71.08531	3.7
72.04433	6.8
76.56397	0.6
76.69775	0.7
81.06950	0.9
85.02826	1.0
91.05402	1.0
102.09106	4.5
116.10683	6.4
119.04796	0.9
130.12216	1.7
131.04910	0.7
149.02252	1.0
153.01802	4.9
154.98346	0.7
159.70900	0.6
169.06429	1.3
215.07056	6.4
243.06537	4.7
270.27856	100.0
271.05945	27.0
271.28186	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0581
Annotation	Genistein
Peak:m/z	Relative Intensity
50.72485	1.2
54.81409	1.6
55.05458	1.7
56.61730	1.2
56.96505	2.4
64.54556	1.3
68.99692	1.9
75.87100	1.5
81.06969	1.9
88.87045	1.8
91.05412	10.1
92.83501	1.6
94.00887	1.6
98.97484	1.8
109.10105	1.7
116.98531	2.0
119.04903	3.0
126.72805	1.5
131.08589	1.4
135.30479	1.5
145.02849	3.3
149.02328	9.1
153.01843	17.1
159.04315	1.7
169.06473	2.9
197.05963	3.2
215.06978	14.1
243.06552	3.8
253.04860	6.2
271.05963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0589
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
53.77432	2.1
70.06510	5.9
79.52505	2.9
91.05392	3.6
93.07008	3.8
95.08538	2.7
107.01283	2.9
110.57063	2.9
116.07066	4.7
127.71641	2.8
131.84517	2.7
137.73076	2.5
141.06952	5.9
153.01819	5.0
169.06496	19.5
197.06015	15.1
210.76418	2.6
212.35710	3.3
215.07089	17.4
225.05473	10.2
253.04999	3.2
269.93839	3.2
271.05951	100.0
271.15311	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	271.0591
Annotation	3,7,4'-Trihydroxyflavone
Peak:m/z	Relative Intensity
54.81289	2.1
56.64294	1.9
59.78944	1.8
67.05448	2.6
70.06494	3.3
74.55540	2.4
79.84901	2.4
91.05397	4.0
95.08562	2.0
107.04913	3.0
116.07018	4.2
141.06895	3.9
153.01817	13.8
169.06467	13.1
197.05890	15.8
215.06903	19.1
243.06467	4.5
253.04820	3.9
271.05969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0589
Annotation	Genistein
Peak:m/z	Relative Intensity
55.05465	1.0
59.76241	0.7
60.25565	0.6
61.04688	0.6
68.99703	1.6
91.05397	8.3
107.04894	0.8
111.00757	1.1
119.04896	4.8
121.02753	1.0
131.04881	0.9
141.06950	2.8
145.02835	3.9
149.02306	5.6
153.01794	24.2
159.04370	3.5
165.01816	1.2
169.06389	5.7
185.81647	0.8
187.07489	1.3
197.05945	6.1
200.04701	1.0
213.05779	0.9
215.07021	19.4
243.06490	10.5
253.04956	6.0
271.05957	100.0
276.16721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0588
Annotation	Genistein
Peak:m/z	Relative Intensity
55.05453	1.8
56.30354	0.8
57.80610	0.8
66.95976	1.0
69.03357	1.5
73.04067	0.9
79.05385	1.2
91.05412	10.9
93.89400	1.0
96.13093	0.9
105.06981	1.1
107.04908	1.4
109.02832	1.3
119.04910	5.0
121.02850	1.4
122.54111	1.0
131.04866	1.3
141.06981	1.8
145.02829	3.8
146.05920	1.0
147.07964	1.3
149.02313	6.9
150.09990	1.0
153.01810	19.8
159.04396	1.8
165.01787	1.4
169.06474	4.3
194.76036	1.0
197.05951	4.7
215.06999	16.0
243.06386	6.9
253.04942	3.8
271.05966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0588
Annotation	Genistein
Peak:m/z	Relative Intensity
55.60305	2.9
56.54206	2.9
91.05399	5.1
149.02377	3.5
153.01793	19.2
163.48491	3.4
165.01637	3.1
166.41168	3.2
169.06374	3.7
215.06978	13.6
243.06516	4.5
271.05957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0593
Annotation	Genistein
Peak:m/z	Relative Intensity
52.68133	0.3
54.40973	0.2
55.01806	0.4
55.05433	0.4
55.30481	0.3
56.96509	0.2
65.03864	0.4
67.05403	0.7
68.99689	1.1
69.03319	0.4
69.06977	0.4
74.57717	0.3
79.01763	0.3
79.05397	0.6
81.06953	1.2
85.02810	0.7
86.05975	2.0
87.04390	0.7
91.05395	3.2
93.03318	0.4
93.06959	1.9
95.08507	0.6
98.97514	0.4
105.03364	0.3
105.06981	0.7
107.01243	1.7
107.04870	0.3
107.08546	2.6
111.04374	0.4
115.05386	1.1
117.06959	0.6
119.04884	2.0
121.02818	0.5
125.02340	2.1
129.06958	0.4
131.08534	0.6
133.02789	0.4
134.03566	0.6
137.02325	0.6
141.06949	7.4
144.05719	0.4
145.02821	4.3
145.06453	1.2
149.02293	1.1
149.09529	0.4
153.01787	8.6
155.04849	0.4
159.08011	0.5
168.05730	0.6
169.06435	21.4
187.07544	0.4
197.05936	15.4
201.05414	0.4
215.06984	19.9
225.05426	5.9
238.61691	0.3
243.06445	4.3
253.04814	3.0
270.16895	1.3
271.05939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	Genistein
Peak:m/z	Relative Intensity
54.81424	0.2
55.01786	0.2
55.38638	0.2
65.03866	0.9
67.01786	1.2
68.99705	2.6
69.03336	0.2
88.36992	0.2
89.03802	0.3
91.05404	8.9
95.01281	0.4
97.02834	0.3
97.65712	0.2
107.04897	1.1
108.76584	0.2
109.02827	0.5
111.00724	0.3
115.05387	0.4
117.06966	0.3
119.04899	3.4
121.02814	1.9
128.06163	0.3
129.06949	0.3
131.04912	1.8
131.08521	0.4
133.02846	0.3
135.04375	0.9
137.02315	0.4
141.06927	2.9
145.02820	3.8
145.06442	1.3
147.04411	0.3
147.08044	0.3
149.02322	7.7
150.03069	0.3
153.01797	23.1
159.04410	3.0
159.08020	0.9
165.01801	2.0
169.06439	4.4
173.05898	0.5
175.03839	0.2
175.07472	0.3
183.02771	0.7
183.04314	0.4
185.05908	0.5
187.03908	0.4
187.07523	1.1
197.05945	4.7
200.04683	0.4
201.05399	0.4
213.05435	0.5
215.06989	15.0
225.05440	1.3
229.04939	0.3
242.05554	0.2
243.06476	10.5
245.87120	0.3
253.04889	5.5
271.05942	100.0
272.06247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03684	0.6
53.03884	11.2
55.05438	3.0
67.01800	0.7
67.05425	1.6
68.99696	3.4
69.03354	1.3
69.06979	1.8
75.83900	0.7
76.45807	0.7
79.05406	1.0
79.67213	0.7
81.03333	44.1
81.06960	1.5
83.04791	0.7
86.86630	0.8
91.05405	12.0
92.10197	1.6
93.06979	0.9
95.08492	1.6
97.02816	23.3
97.10082	0.8
105.06933	1.0
107.04877	0.8
107.08514	1.2
109.02826	96.2
109.10063	1.5
119.04883	4.0
119.08480	0.9
121.10051	0.8
127.03869	1.4
131.04869	1.2
131.08492	0.9
133.54723	0.8
135.11780	0.7
139.03958	1.0
140.93788	0.7
141.06993	2.8
145.02808	4.4
145.06441	0.8
147.04372	0.8
147.11647	0.8
149.02322	7.5
153.01799	22.9
159.04326	1.4
165.01846	1.7
169.05060	2.4
169.06439	5.1
178.68977	0.7
187.07513	1.7
197.05913	3.9
201.05453	0.8
215.06984	15.1
225.05322	1.3
235.20439	0.8
243.06471	10.1
253.04897	3.4
271.05939	100.0
272.06223	3.5
293.06458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.5
54.81699	0.4
55.01810	6.3
57.03132	0.7
57.03376	11.6
59.04943	0.9
60.05580	0.5
61.02852	4.4
64.33405	0.6
69.03353	8.3
70.06506	3.5
71.01255	3.6
71.04929	0.7
73.02831	6.8
73.06464	5.1
74.06812	0.5
78.03371	1.1
81.03340	2.2
84.08062	1.2
85.02826	26.4
86.03158	2.7
87.04391	1.1
91.05405	2.1
94.02859	0.6
97.02827	6.0
98.03123	0.9
98.97514	0.9
99.04339	0.7
109.02798	1.2
110.07098	1.0
112.03897	0.6
115.03886	2.4
116.98574	0.9
119.04883	0.7
122.02358	9.9
127.03870	3.2
133.04947	2.3
139.05000	79.0
140.03400	100.0
145.02818	0.9
145.04956	2.4
153.01814	3.2
163.05948	0.8
166.08603	2.3
178.37016	0.6
215.06987	4.2
218.03577	0.6
243.06387	1.2
253.04860	1.0
271.05988	19.3
271.09094	4.0
271.13901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19792	0.9
53.03881	1.7
55.01804	2.1
55.15344	0.9
57.03376	9.4
59.04934	1.4
61.02853	6.5
66.74149	1.0
69.03347	26.8
71.01272	1.2
71.04902	5.0
73.02823	10.7
81.03333	10.1
84.08046	1.4
85.02823	5.0
87.04386	1.4
91.05420	1.9
92.04926	1.7
94.06491	5.3
95.04848	1.5
95.08548	0.9
97.02806	1.7
99.04380	10.1
101.94922	1.1
104.04919	2.2
105.03329	2.0
106.06498	1.4
111.04406	1.2
117.05468	4.8
118.06492	11.4
120.04413	37.2
120.08113	1.1
122.05973	12.7
130.06474	5.5
132.04413	100.0
133.04926	1.2
134.05965	10.9
138.05455	4.9
144.08067	2.5
146.05988	19.4
150.05476	34.4
154.06526	1.9
158.05978	4.9
162.05360	1.2
170.05914	1.5
172.07529	19.3
190.08549	2.2
200.07050	9.6
218.08086	19.1
236.09116	4.8
254.10129	7.7
272.08218	1.4
272.11230	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80994	0.3
53.00251	2.4
53.03876	0.5
55.05454	17.2
56.96502	9.0
57.03370	2.3
57.07018	1.9
67.05426	2.6
69.03356	1.7
69.06991	100.0
70.07323	3.9
72.41602	0.4
73.02840	4.4
79.05418	0.4
83.08541	0.9
84.95956	2.7
85.02843	0.6
95.08574	0.4
97.02827	2.3
98.97518	23.9
99.97847	0.5
110.97529	8.0
111.11671	2.6
111.86674	0.3
112.99087	2.7
115.03912	0.7
116.98575	24.8
118.54353	0.4
128.02330	0.3
128.98570	19.9
131.00160	7.0
132.00563	0.4
134.99629	14.5
135.00610	0.6
140.98662	0.4
143.00171	0.9
144.98105	1.5
146.99631	21.9
147.00737	0.8
149.01213	7.7
149.02287	0.8
153.00749	0.9
153.01865	1.7
154.02168	0.5
155.00180	0.7
158.01120	0.4
158.99664	5.3
161.01234	2.1
162.99100	3.0
165.00671	4.8
167.02290	0.6
170.01192	0.5
170.99611	10.0
171.00969	0.5
173.01237	4.3
177.00685	7.7
185.03819	0.4
186.99208	0.7
189.00685	41.7
190.01007	0.9
191.02184	3.2
192.02704	0.5
194.04454	2.3
195.01816	0.6
197.16827	0.5
201.00725	1.5
205.00168	0.5
207.01743	11.0
207.03555	0.6
212.02351	1.7
216.07419	0.6
219.01752	0.7
225.02846	0.5
231.01720	6.3
240.09224	0.5
244.06944	0.4
249.02783	14.1
249.10020	0.4
250.03081	0.5
267.03833	5.1
272.06326	9.7
291.03818	20.1
292.04248	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	1.6
56.08212	0.7
57.06742	1.1
57.07012	32.3
58.06522	5.4
62.06019	21.4
64.37681	1.0
71.08540	13.8
77.45647	0.9
85.10098	4.5
92.10956	2.8
96.93921	1.0
124.65849	1.1
153.01866	1.6
202.03981	0.9
216.07358	2.1
230.24692	3.9
244.06856	1.1
254.28429	6.1
272.06253	17.3
272.26074	4.1
272.29398	100.0
273.06784	1.6
273.29733	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0753
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01797	0.2
62.37673	0.2
65.03873	0.2
67.01545	0.2
67.01795	2.9
68.99699	1.7
69.03351	1.3
71.79073	0.2
74.97279	0.2
76.56052	0.3
76.70653	0.2
77.36846	0.2
83.01263	0.2
84.78512	0.2
91.05404	6.9
95.04908	1.9
95.40134	0.2
97.02824	0.9
103.46701	0.2
107.04896	2.3
111.00742	0.3
119.04899	19.4
121.06448	0.3
123.04395	3.5
142.37836	0.2
147.04396	36.4
151.03935	0.4
153.01810	100.0
154.02115	0.3
171.02878	3.8
179.03397	0.4
189.05432	0.9
197.06149	0.2
255.06555	0.3
273.07526	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	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01811	0.3
55.05444	0.3
56.96510	2.4
65.03859	0.3
67.01793	2.4
67.05414	0.8
68.99702	1.7
69.03348	1.9
69.06999	0.3
79.05406	0.8
80.59285	0.2
81.03342	0.3
81.06960	1.0
83.01241	0.2
91.05412	7.8
93.06964	0.8
95.04919	2.3
95.08523	0.4
97.02830	1.0
105.06974	0.4
107.04891	2.9
107.08556	0.3
109.06443	0.2
111.00742	0.5
111.04405	0.3
119.04900	19.5
119.08550	0.3
121.02832	0.2
121.06447	0.2
123.04399	3.7
127.03810	0.2
137.09593	0.4
147.04395	39.9
151.03870	0.4
153.01808	100.0
154.02127	0.4
157.06396	0.3
171.02859	2.9
171.09959	0.2
172.91212	0.2
179.03345	0.4
185.05739	0.2
189.05400	0.8
255.06456	0.4
273.07529	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	273.0753
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
52.44417	0.8
67.01785	2.1
68.99702	2.0
75.73410	0.8
82.57137	0.9
91.05392	6.9
95.04883	1.4
97.02836	0.9
100.81449	0.9
107.04908	1.8
119.04891	17.8
123.04350	3.7
147.03210	1.5
147.04381	37.7
147.05508	1.8
153.01794	100.0
157.85138	0.8
171.02840	3.5
197.02866	1.1
273.07489	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
62.31385	0.5
62.96363	0.5
63.73292	0.5
65.03874	0.8
67.01773	3.1
67.05412	0.8
68.99717	6.4
69.03350	1.5
70.46794	0.5
71.01290	0.8
79.05415	0.7
81.06961	1.1
86.54393	0.5
91.05411	18.0
91.41578	0.5
95.04897	2.1
98.54691	0.6
103.05400	6.2
105.00650	0.6
105.03323	3.9
107.04958	0.7
115.05446	0.9
119.04895	7.0
121.02819	8.1
123.04412	0.9
128.06189	0.9
129.06973	3.4
131.04935	1.0
131.08527	5.0
134.99736	0.7
143.08524	1.4
147.04388	10.2
147.89786	0.6
149.02318	49.1
152.06203	4.3
153.01804	100.0
153.06963	13.2
155.08435	0.6
157.06511	1.3
159.97118	0.6
164.03049	0.7
165.06981	2.6
167.03369	3.6
171.02849	3.5
171.08005	3.3
175.91377	0.6
181.06436	8.6
185.05971	0.7
197.05988	2.1
199.07510	82.9
200.08043	0.7
212.73627	0.6
227.06985	29.6
251.81964	0.7
255.06470	10.9
273.07529	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	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.05445	0.9
56.96502	0.8
65.03844	0.7
67.01785	3.0
67.05415	1.1
68.99715	2.2
69.03339	2.6
70.06517	0.6
79.05402	1.0
81.06970	1.3
85.02831	0.9
91.05410	10.7
95.04912	3.4
95.08532	0.6
97.02819	1.3
97.06434	0.7
107.04911	2.8
116.98529	0.6
119.04902	21.6
121.02810	1.0
121.06483	0.7
123.04401	4.6
145.10092	0.6
147.03218	0.9
147.04396	35.2
149.02370	3.8
153.01805	100.0
153.06914	0.9
171.02856	3.4
181.06424	0.8
189.05496	0.7
199.07533	7.7
227.07021	2.5
255.06473	1.2
273.07541	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
52.51629	0.4
55.01804	1.1
55.05440	0.5
63.06609	0.4
65.03858	1.0
67.01785	2.8
67.05438	1.1
67.39774	0.4
67.46381	0.4
68.99714	7.6
69.03358	1.0
79.05405	1.0
86.60412	0.6
91.05405	18.8
95.04891	2.3
95.08518	0.6
97.02804	0.6
100.67496	0.5
103.05396	6.6
105.03342	2.5
107.04878	0.7
115.05441	0.9
119.04894	6.7
121.02815	7.9
123.04409	1.1
127.03891	1.1
128.06172	2.3
129.06964	3.3
131.04930	1.3
131.08528	8.2
136.70364	0.5
136.72807	0.6
139.03891	0.5
141.07024	0.7
143.08502	2.1
143.26576	0.5
147.04388	12.7
149.02321	47.7
152.06200	2.3
153.01810	100.0
153.06973	12.5
157.06473	2.6
165.06993	0.7
167.03355	1.2
171.02899	3.7
171.07988	2.9
181.06462	9.1
184.05170	1.1
185.05971	0.8
197.05914	1.3
199.07521	79.4
209.05887	0.6
226.06114	1.0
227.07011	26.9
254.28099	0.5
255.06483	10.5
273.07541	20.8
286.29858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	4.2
54.51733	0.8
55.01804	1.8
55.05438	1.4
56.04951	0.7
56.96498	0.9
57.01374	0.7
57.03372	8.2
59.98920	0.8
65.03855	3.6
65.73861	0.9
67.05411	5.5
69.06970	3.9
70.06509	5.6
71.04917	0.9
75.04391	3.6
76.55737	0.9
79.05410	1.5
81.06969	4.0
83.08512	0.8
87.04398	0.9
91.05408	2.0
93.03300	1.0
93.06956	4.0
95.04898	30.2
95.08531	1.0
97.02828	1.4
97.06442	3.8
98.88795	0.8
105.06955	1.2
107.04891	1.3
107.08528	1.2
108.63216	0.9
109.06460	0.8
110.03566	0.8
111.04380	3.7
113.02299	1.1
119.04903	1.0
120.08036	1.0
121.02834	1.2
123.04379	13.3
123.07980	0.8
125.02297	8.4
131.08496	1.0
137.02309	1.2
137.05966	1.1
140.04660	100.0
141.01791	1.8
153.01801	4.7
154.02550	1.3
155.06995	18.2
167.03421	3.5
169.01274	17.5
173.08061	4.1
181.04921	12.2
184.03632	75.5
199.05992	32.8
199.07513	0.8
273.18005	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	273.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40590	0.7
54.03404	1.3
55.01817	0.7
55.05453	9.3
56.04963	3.4
57.03364	1.4
58.06522	0.8
58.83776	0.8
67.05441	8.4
68.04933	1.6
69.06989	6.2
70.06487	3.4
71.06026	5.5
75.06868	0.8
79.05388	7.6
80.04934	9.4
81.03348	7.0
81.04462	12.5
81.06980	14.1
82.06497	1.9
83.04894	4.4
83.08527	5.5
85.02803	1.2
91.05423	7.8
92.10898	1.9
93.06982	5.9
95.04882	1.5
95.06030	2.0
95.08519	5.2
96.08038	1.3
97.06473	1.2
97.10091	1.4
98.05978	1.1
99.05493	4.8
105.06968	4.6
107.06012	4.8
107.08494	3.2
109.07565	0.9
109.10106	1.0
110.09651	1.0
119.08538	3.8
121.07590	1.8
121.10094	4.4
125.96682	0.9
129.06976	1.5
131.08496	3.3
133.10081	3.9
135.09167	1.0
138.12733	4.2
147.11665	3.6
149.09677	1.2
150.12749	6.6
154.34439	0.8
157.10106	3.4
159.61089	0.9
164.14334	5.0
166.12231	5.4
175.11162	3.4
176.10751	1.2
182.15370	15.9
184.13304	7.9
185.14098	1.0
191.15463	7.3
192.13821	4.4
193.12167	4.9
194.11754	5.3
200.16454	1.5
203.12785	0.9
210.14886	14.2
211.13223	4.4
211.14789	1.0
219.14870	18.5
220.13397	1.0
229.15411	1.0
237.15959	8.1
238.14319	1.1
255.17007	16.5
273.18036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2422
Annotation	3-hydroxy-hexadecanoic acid
Peak:m/z	Relative Intensity
53.00248	2.5
53.03893	1.3
54.58033	1.3
55.01810	2.6
55.05450	81.0
57.03358	2.3
57.07011	81.8
59.04918	2.0
61.92983	1.1
66.51695	1.0
67.05428	24.7
69.06608	3.3
69.06986	100.0
71.04910	2.7
71.08544	38.6
73.06469	2.7
73.08719	1.4
79.05412	20.0
81.06978	40.1
83.04878	5.8
83.08539	63.7
85.06469	3.0
85.10100	18.2
87.04375	1.4
91.05399	1.8
93.06971	38.3
93.07520	2.3
95.08535	32.3
96.87811	1.5
97.06458	24.3
97.10098	35.5
101.05936	1.5
105.06973	2.0
106.99415	1.4
107.08537	28.8
109.10104	17.1
109.10791	1.8
111.08028	7.2
111.11656	7.3
115.07538	3.2
120.18475	1.3
121.10091	25.6
123.11647	5.8
125.09588	8.3
135.11656	22.2
137.13242	2.2
139.11150	6.5
149.13264	14.6
153.12729	5.2
158.47626	1.2
163.14786	8.6
167.14273	2.7
177.16389	5.7
181.15802	2.7
200.40709	1.5
217.82672	1.4
219.21039	25.8
237.22079	21.8
273.29706	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	273.2573
Annotation	beta-Springene
Peak:m/z	Relative Intensity
50.70297	2.6
55.05446	22.6
56.10334	2.7
57.07016	7.7
57.44663	2.6
57.44986	2.4
65.58020	3.1
67.05432	34.1
69.06977	42.6
79.05412	20.2
81.06969	100.0
83.08539	15.5
91.05397	19.4
93.06982	61.3
95.08533	86.9
97.10091	6.4
97.60089	3.1
104.79025	2.8
105.06977	35.5
107.08538	80.2
109.10107	61.9
115.50609	3.2
119.08555	30.8
121.10091	55.0
123.11632	39.8
131.14290	2.9
133.10086	21.8
135.11670	29.6
137.13243	7.1
147.11668	20.8
149.13245	47.3
161.13243	23.0
163.14822	18.3
175.14822	6.1
177.16325	7.8
189.16350	12.8
191.17964	7.2
203.17976	18.9
217.19472	19.1
240.30800	3.6
273.25690	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	274.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	6.3
56.96500	7.8
57.03379	4.6
57.57764	3.2
58.99507	5.1
67.05418	8.7
67.60334	3.9
70.06513	76.5
72.08070	5.0
77.00815	4.1
79.05396	6.1
80.06295	3.6
81.06971	18.8
84.04421	8.7
84.08057	6.5
85.02858	3.5
85.06452	33.0
86.09594	7.3
87.04356	4.3
91.05387	17.7
97.06501	5.3
98.97516	4.1
99.08025	15.4
104.10689	7.7
105.06990	14.5
107.04898	15.0
107.08502	5.4
109.06444	6.3
110.07114	8.5
112.08646	5.9
113.07072	4.8
113.13667	4.1
115.08669	6.5
116.07034	19.7
120.08081	27.6
127.03863	4.0
130.06514	47.5
133.06462	4.8
134.04419	5.4
140.04582	7.1
141.05054	3.8
146.06006	15.4
155.86523	3.9
156.02655	8.5
157.07574	7.3
157.10881	5.9
158.05916	4.4
184.07449	5.8
232.66426	4.1
256.10983	4.5
274.06793	100.0
274.27408	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1071
Annotation	L-thyronine
Peak:m/z	Relative Intensity
67.05409	0.6
79.05405	4.6
81.03333	0.6
81.05699	0.8
91.05397	3.1
94.74875	0.4
95.04875	2.9
96.04395	2.3
97.02819	8.0
103.05397	9.2
104.04913	0.5
105.06949	2.0
106.06473	0.6
107.04912	4.0
109.05193	5.0
110.03592	1.6
111.04375	0.7
111.81503	0.4
115.03860	2.8
115.05421	0.7
118.47531	0.4
123.04391	6.2
124.03896	0.8
125.04684	1.7
126.05469	15.8
126.67387	0.4
129.06944	2.6
130.12587	0.3
131.04884	2.1
136.03905	14.6
137.04692	18.4
137.31815	0.3
138.05446	1.8
139.06247	2.5
141.06984	3.0
153.06941	1.6
155.08519	5.0
156.08060	1.9
157.06474	0.4
158.09547	0.7
165.04156	1.9
165.06921	1.8
167.07146	1.3
168.05667	0.6
168.07970	0.7
169.06372	0.6
182.09607	0.6
183.05328	1.0
183.07938	3.3
198.06706	0.8
198.09044	0.4
199.07515	1.4
201.09070	30.9
210.09097	0.8
211.07486	10.3
228.10136	100.0
229.10609	0.5
237.42770	0.4
255.16922	0.5
256.09647	2.5
256.17334	0.5
274.10663	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	274.2738
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
54.81631	0.5
57.07014	15.1
58.06518	1.2
60.04456	0.8
62.06016	1.0
64.30927	0.6
66.88019	0.5
70.06507	23.1
71.08533	4.1
85.10103	1.1
88.07552	27.2
92.10959	1.4
102.09132	7.4
106.08617	12.1
138.50871	0.6
144.36104	0.6
145.59869	0.6
168.73840	0.6
209.89029	0.6
230.24660	1.1
256.26273	9.1
274.27347	100.0
275.27469	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2738
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
51.53851	0.7
53.08601	0.8
53.10411	0.6
55.98757	0.7
56.63388	0.6
57.07014	19.7
61.74292	0.7
70.06511	24.1
71.08530	5.3
73.71250	0.7
85.10133	0.7
88.07556	30.2
88.08105	1.0
92.10852	1.1
95.54365	0.8
98.86924	0.8
102.09097	8.8
106.08612	14.9
113.06400	0.9
119.86629	0.7
158.70819	1.1
159.42662	0.8
230.24916	0.9
256.26285	11.7
273.83725	1.1
274.27344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00117	2.7
54.86475	2.5
57.07016	46.9
59.66507	2.6
63.47229	2.3
70.06519	21.9
71.08537	24.5
72.32954	2.4
77.66296	2.9
79.05406	2.7
81.70998	2.8
85.10102	6.5
88.07549	43.0
92.11032	2.5
98.97534	2.6
106.08606	50.1
120.88050	3.4
143.91090	3.9
274.27316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.11
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41028	1.0
53.84600	0.9
56.04964	1.4
56.96501	1.5
63.66117	0.9
69.03331	1.4
70.06513	16.5
72.08057	5.8
73.02815	1.5
84.04423	7.6
84.08098	7.7
85.02819	1.4
86.09635	1.3
86.27146	1.1
97.02832	1.4
98.97502	2.0
116.98557	2.1
119.01882	17.2
120.02073	1.1
125.07056	4.8
126.05549	1.0
129.10153	1.5
131.93594	1.1
134.99632	1.4
137.02946	12.1
144.04909	1.5
145.03418	5.6
146.05974	6.8
151.99489	1.0
159.04990	1.5
161.02887	1.2
163.04498	2.0
215.96271	1.1
226.51141	1.1
229.04102	6.6
244.06514	2.5
252.05865	2.4
258.26932	1.1
275.10950	100.0
276.11270	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45365	1.8
55.01806	28.7
55.05452	31.5
55.66360	1.7
56.04966	5.0
57.07012	16.5
58.99520	14.1
61.01070	11.8
68.04935	2.2
69.06996	2.6
70.02857	8.4
70.06500	3.1
72.04419	12.3
73.01038	11.8
73.02827	2.2
74.00578	18.9
76.02139	2.5
79.05437	14.3
81.06980	37.6
82.06490	4.0
83.08515	10.5
84.04430	22.6
85.01065	19.5
86.38519	2.0
86.98967	10.8
87.02608	3.5
88.02132	12.1
90.05477	16.3
95.08512	4.1
98.02335	12.5
98.09629	10.2
99.02618	17.7
100.11189	50.7
104.01640	17.8
107.08537	4.5
112.11204	24.1
113.04165	2.3
115.05723	9.5
116.01627	39.2
116.03413	3.5
116.05283	41.4
124.11151	13.9
126.05470	61.2
141.07318	28.6
143.08870	4.7
144.06526	9.1
154.12238	3.8
158.02663	29.3
158.09959	94.8
172.13271	22.4
203.63832	2.2
240.10356	2.7
257.12955	2.3
258.11578	36.6
275.14169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
51.51379	4.5
54.81409	6.1
55.05445	27.7
55.67128	5.5
56.56411	5.7
56.77247	4.9
57.07010	5.0
64.20029	5.6
67.05421	35.8
69.07009	18.2
79.05407	31.4
81.06984	31.0
81.20779	5.1
84.04381	6.6
91.05401	77.9
93.06987	24.4
95.08530	12.6
105.06969	100.0
107.08545	26.0
109.10090	8.2
117.06940	8.3
119.08516	52.6
121.10087	7.2
131.08528	9.3
133.10110	45.0
145.10094	27.7
147.11679	30.7
153.08382	6.5
184.35777	5.9
205.75703	5.9
253.89351	6.2
274.27164	8.4
275.19928	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01819	6.0
55.05445	35.2
57.03366	8.3
57.07004	12.5
67.05418	41.4
69.03316	5.6
69.06981	11.8
71.04892	33.0
76.56089	5.9
77.23298	5.9
79.05402	52.2
79.55017	6.2
81.06981	48.9
82.93293	5.7
83.04889	11.8
83.08492	9.6
85.06454	9.6
91.05409	83.4
93.06975	88.4
95.04885	10.7
95.08533	63.7
103.44361	7.3
105.06963	100.0
107.04926	12.7
107.08533	54.6
109.06468	28.6
109.10099	34.5
109.26669	6.4
111.08004	33.2
117.06952	34.6
119.08520	80.9
121.10083	40.3
123.08020	10.3
127.80797	6.5
128.06119	7.5
129.07005	6.4
131.08545	70.4
133.10123	59.9
135.08017	35.4
135.11674	7.9
137.09592	46.0
139.40575	6.9
142.07768	14.2
143.08542	12.0
145.10086	42.9
147.11658	29.4
155.08441	9.6
157.10085	37.8
158.10893	11.9
159.11655	69.5
161.13210	8.0
171.11548	10.7
173.13240	61.2
177.12720	10.0
183.11649	11.4
184.12457	8.8
187.11230	8.6
199.14816	9.2
211.08601	6.8
257.18900	24.5
275.20078	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
55.05439	27.3
55.19276	4.8
57.03357	8.8
63.67847	7.0
67.05415	29.8
69.06985	24.8
73.70905	6.5
76.55653	6.0
79.05415	31.6
81.06954	28.1
85.06413	5.9
91.05402	71.3
93.06956	31.9
95.08532	9.6
105.06980	100.0
105.20596	6.6
107.08514	25.8
117.06952	12.9
119.08537	60.2
121.10097	12.2
121.63187	5.5
122.84570	6.2
131.08516	12.9
133.10068	32.3
143.08488	8.0
145.10059	12.5
147.11681	23.3
159.11584	8.9
161.13133	8.5
173.13239	6.8
180.40550	7.1
185.13211	11.8
257.18860	7.4
275.20013	95.7
275.27325	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	275.2002
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
54.39813	2.8
54.81717	2.8
55.05447	20.1
57.03361	4.4
57.55248	2.1
67.05421	18.4
69.06977	12.3
71.30155	2.5
79.05412	21.0
81.06967	24.5
82.79855	2.3
83.08533	3.7
88.47407	2.4
91.05400	61.1
93.06983	18.4
95.04906	2.9
95.08526	14.0
105.06269	4.1
105.06968	100.0
107.08536	10.8
109.10098	3.0
117.06951	12.6
119.08533	55.0
121.10069	3.3
129.07019	4.1
131.08565	19.8
133.10081	31.6
143.08548	3.1
145.10104	15.7
147.11676	34.2
157.10091	4.2
159.11652	16.4
160.08835	2.6
161.13275	3.3
185.13242	3.9
203.14326	6.0
225.78568	3.1
257.18906	5.2
275.19983	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03897	1.6
55.01809	3.6
55.05450	31.7
57.03378	21.1
61.92614	1.6
65.03867	1.5
67.05433	26.6
69.06982	17.0
71.11739	1.7
79.05408	34.4
81.06973	30.1
83.08538	9.4
85.06436	2.1
91.05405	67.8
93.06976	27.5
95.04890	3.9
95.08534	21.6
95.46509	1.6
97.06449	2.2
99.07943	1.8
105.06975	100.0
107.04899	2.5
107.08549	12.4
109.06478	9.1
109.10088	3.3
117.06978	23.6
119.08538	72.9
121.10098	6.8
129.06953	8.8
131.08542	24.5
132.84566	1.7
133.10104	34.6
143.08562	6.7
145.10103	21.8
147.11658	33.4
155.08522	2.5
157.10092	7.2
159.11650	20.9
161.13283	11.9
171.11632	1.9
173.13235	3.3
183.11649	2.5
185.13277	18.0
203.14281	8.2
239.17857	3.0
257.19012	10.3
275.19995	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
54.33448	2.4
54.81779	2.6
55.01817	2.7
55.05455	27.5
57.03376	10.2
64.33363	2.4
67.05186	2.1
67.05441	33.1
69.03355	5.3
69.06990	18.2
70.54893	2.4
71.04897	2.9
79.05424	40.5
81.06979	45.3
83.04881	2.8
83.08521	3.8
85.06419	2.2
91.05414	80.3
93.06985	37.9
94.96020	2.4
95.04907	5.2
95.08548	32.9
97.06452	3.8
105.06983	100.0
107.04922	10.7
107.08527	28.8
109.06508	3.1
109.10098	5.9
117.06940	22.2
119.08543	62.5
121.06456	4.5
121.10122	10.9
123.11723	2.9
129.06938	5.7
131.08551	28.5
133.10089	40.7
135.08043	5.2
135.11624	4.6
145.10066	18.8
147.11670	35.2
149.09549	3.9
157.10048	4.3
158.88936	2.6
159.11655	11.2
163.11191	2.8
185.13287	3.4
197.13312	3.9
247.20575	3.1
257.18869	11.5
275.20007	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78787	0.9
55.01802	2.3
55.05459	7.1
55.41138	0.9
56.04723	1.9
56.04976	34.8
57.31986	0.8
58.99520	40.3
60.46949	1.0
60.64931	0.9
61.68689	0.8
65.31133	1.0
67.05083	1.1
67.05432	30.9
68.73304	0.9
69.06992	15.7
70.02842	1.1
70.06512	4.9
71.04912	1.1
73.01042	4.7
74.00579	6.6
76.02144	16.3
79.05407	13.5
80.04924	2.2
81.06974	16.5
83.08526	5.1
84.08059	1.8
85.01048	4.6
85.06500	2.3
86.00574	38.7
86.98485	1.1
86.98980	25.9
87.02615	6.8
88.02127	4.3
88.03907	5.1
91.05399	21.8
92.10875	1.2
93.06968	42.9
95.04893	2.2
95.08541	16.4
97.01050	30.4
97.06464	6.8
99.02631	2.1
100.02143	1.3
105.00028	12.3
105.06973	4.2
107.04894	2.2
107.08544	15.3
109.06439	1.3
109.10106	27.3
110.09651	1.3
111.02607	1.7
111.08043	4.4
113.00573	1.9
116.05235	1.8
117.06966	5.1
119.08514	10.5
120.01103	1.1
123.02560	1.3
125.04189	4.8
125.94145	1.2
126.12752	1.5
127.05748	1.5
132.01120	23.3
132.99530	1.6
133.10094	2.4
135.08040	8.6
135.11693	1.1
136.11186	2.0
137.09587	10.4
141.07303	5.3
151.05733	9.5
153.05453	1.1
154.12244	31.8
169.06757	3.5
172.13246	11.9
173.11703	1.1
177.07320	2.4
178.12277	1.5
184.11534	1.7
195.08427	8.2
212.11017	42.5
213.09430	1.9
223.07780	2.4
230.12025	17.8
258.11523	15.0
259.09885	8.8
276.12582	100.0
277.13116	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81438	2.7
55.05439	4.0
56.96487	4.8
57.05739	2.6
57.06998	20.3
58.06520	3.3
65.50943	2.5
67.05408	3.8
69.03339	2.9
70.06504	37.1
71.08527	6.3
72.63385	2.7
75.15171	2.6
79.05396	3.2
79.14743	2.7
81.06966	4.4
87.04386	7.2
88.07551	48.7
93.06911	3.1
102.09116	30.5
106.07296	3.6
131.08684	3.1
214.21625	68.7
248.71654	2.9
276.20450	3.4
276.25278	100.0
286.33896	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	277.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
62.68155	7.1
67.94062	7.7
70.06516	34.2
72.08072	20.4
85.02838	8.8
86.09627	100.0
99.63889	8.1
100.07545	14.6
113.07090	11.1
114.09138	19.5
119.01875	62.0
121.01633	11.4
128.07022	9.5
132.10178	14.2
157.03348	13.8
161.02928	77.3
175.04543	10.3
187.04565	11.6
234.09833	11.0
277.07144	61.4
283.85205	10.7
295.08484	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	277.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03381	2.1
69.03351	3.7
70.06512	2.2
73.02787	1.4
75.05294	1.0
80.04913	1.5
81.03341	1.2
84.04440	3.6
84.08060	1.9
85.02816	8.7
97.01104	1.0
97.02822	7.0
101.00805	10.5
109.02870	1.3
113.00809	1.5
114.03691	1.7
116.56564	0.9
119.01874	81.7
120.01999	1.0
121.01642	1.3
127.03882	1.5
131.01874	38.1
133.03448	4.9
137.02934	39.1
139.02660	1.2
142.03247	6.4
143.01877	13.8
143.05487	1.0
145.03441	9.4
149.02924	15.0
155.01855	16.1
157.03447	7.6
159.01390	1.4
159.04948	1.2
161.02925	100.0
162.03110	1.8
163.04486	3.6
169.03444	1.2
173.02931	50.3
175.04497	16.8
179.03932	8.0
185.02916	11.3
187.04469	9.3
189.06003	1.8
189.53400	1.2
191.04013	9.7
192.79947	1.0
197.02971	1.8
199.04652	1.1
203.03922	7.9
205.05547	6.5
215.03993	4.0
217.05463	1.4
218.32474	1.0
221.04968	1.3
229.05547	1.2
235.06630	1.8
245.05006	1.6
277.07611	37.5
278.07675	1.2
295.08691	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	277.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01815	11.8
56.04965	5.3
56.65052	0.7
56.96481	1.7
58.99519	12.9
61.02855	1.0
61.27762	0.9
61.28094	0.8
64.26958	0.9
67.05423	1.5
69.03349	1.0
69.06982	1.0
70.02859	0.9
70.06467	1.0
72.04411	4.2
73.01057	1.0
73.02836	1.3
74.23866	0.9
76.02141	1.4
81.07005	1.0
84.04432	5.0
84.08082	1.1
86.98981	6.7
87.36359	0.8
88.02109	3.4
90.05468	9.3
90.45419	0.8
91.05394	1.5
93.06980	1.3
98.97506	6.2
99.02618	1.8
99.04404	1.2
99.47987	0.9
100.02137	100.0
102.05479	25.4
103.99217	0.8
104.01624	14.3
105.06970	4.0
107.08584	1.3
110.90972	0.9
110.98951	3.5
114.05482	4.2
116.01627	31.3
116.98560	4.5
119.08529	2.2
120.08065	6.4
128.01639	11.9
131.08482	1.2
132.04753	9.1
134.99643	1.6
145.04295	11.8
147.11636	3.5
149.01134	1.2
156.06502	3.5
157.04318	7.4
158.02690	27.8
158.99561	1.0
160.04271	22.0
171.00963	1.4
174.07581	4.8
176.03694	1.5
177.00693	3.4
191.02177	1.8
199.05312	14.5
202.98564	1.0
217.04266	1.6
217.06384	48.0
235.55504	1.0
259.07544	2.2
277.08469	16.3
277.11328	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78281	0.2
56.04967	2.4
56.96511	1.5
69.03349	0.9
73.02816	0.2
79.05400	0.3
84.04422	48.7
85.02804	1.0
86.09602	0.4
91.05373	1.5
93.06955	1.5
95.04910	0.3
97.02829	1.0
98.97508	2.9
100.02139	0.4
103.05402	3.6
105.03302	0.3
105.06955	0.5
107.04901	1.4
107.08521	0.4
116.98569	2.0
117.46582	0.2
119.07260	0.3
119.08611	0.8
120.08052	100.0
121.06456	0.3
121.08410	0.4
128.98506	0.3
131.04878	2.7
131.08540	1.0
134.99626	1.1
138.96167	0.3
143.08496	0.2
146.99591	0.4
149.01192	0.4
149.05977	1.3
149.09624	0.5
158.99603	0.3
160.04251	0.2
165.00734	0.3
166.08594	17.7
171.41893	0.2
173.01346	0.2
176.75633	0.2
177.00674	1.0
180.95114	0.2
182.02246	3.5
182.52386	0.2
186.09109	3.1
197.06007	0.3
209.11690	0.4
219.01634	0.3
231.11220	11.2
237.02878	0.5
259.10657	0.4
269.01157	0.2
271.05905	3.4
272.06226	0.4
277.11673	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	277.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47218	0.3
53.00246	0.8
53.03872	0.5
54.81790	0.3
55.05222	0.4
55.05455	6.9
55.51336	0.3
57.03368	3.0
57.06745	0.8
57.07015	16.6
58.06527	0.9
58.07071	0.3
58.07347	8.6
59.07684	0.5
62.06018	0.5
67.05432	8.8
70.06512	20.9
71.04900	2.5
71.06482	0.6
71.06843	11.2
71.08545	5.3
72.07162	1.9
72.07998	0.3
72.08878	2.9
78.61548	0.4
79.04962	0.6
79.05412	15.3
81.03308	0.4
81.06984	12.3
83.04920	0.4
83.08547	1.5
85.06470	0.4
85.10083	0.9
86.10429	0.4
87.08484	0.3
87.10783	0.4
88.07555	21.3
88.57361	0.4
89.07295	1.6
89.07879	12.3
90.07949	4.2
91.05403	8.1
91.08326	0.4
93.06979	20.0
95.04919	2.7
95.08531	8.4
99.07986	0.5
102.09119	4.1
103.09442	3.7
104.09605	0.7
105.06965	6.3
106.08615	6.6
107.08437	8.3
108.09034	5.0
109.06447	1.7
109.09442	0.6
109.10079	2.9
113.09583	0.6
117.06965	1.9
119.08505	4.0
121.10096	7.1
123.11678	0.6
131.08563	2.9
133.10110	3.0
135.11664	4.9
135.50909	0.4
143.08560	0.4
145.10106	1.9
147.11671	2.2
149.02324	4.2
149.13264	3.2
159.11688	0.5
161.13223	0.6
163.14838	0.4
171.11668	0.4
173.13252	0.8
187.14810	0.7
232.25450	0.6
241.19380	0.5
257.26675	0.8
258.26974	10.0
259.20584	1.9
259.27325	3.3
276.27988	100.0
277.21649	11.1
277.28241	42.3
297.03033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.00255	2.0
53.03882	3.4
55.01815	4.0
55.05453	30.1
57.03353	4.9
57.07017	3.1
62.18222	2.1
67.05074	2.8
67.05422	69.9
69.06988	20.0
69.63046	2.1
71.04903	2.3
71.08258	1.9
71.08546	32.2
76.56384	2.1
77.67709	1.8
79.05408	75.5
81.03328	10.6
81.06971	63.6
81.27873	1.9
83.04881	10.2
83.08524	4.8
85.06461	2.4
91.05409	40.1
93.06973	100.0
95.04886	23.2
95.08532	34.9
97.06451	8.2
99.08002	11.8
105.06981	25.3
107.04861	3.8
107.08534	49.8
109.10100	9.9
119.08548	19.5
121.10122	27.5
129.07007	3.8
131.08522	3.0
133.10072	11.5
133.13541	2.2
135.11658	33.7
145.10066	3.0
147.11740	3.0
149.13246	8.4
151.11176	8.6
161.13243	3.9
179.14297	27.5
183.53952	2.1
183.55617	3.0
190.55154	2.0
208.84798	2.1
277.18768	2.7
277.21585	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
50.54863	1.3
53.03875	2.9
53.76276	1.2
55.05450	19.8
56.74566	1.1
57.07016	1.6
59.17377	1.2
67.05427	37.5
67.50178	1.1
69.06988	18.2
70.64886	1.3
71.04930	1.7
79.05408	71.2
81.06976	30.2
83.08541	2.8
91.05406	35.6
93.06967	100.0
95.04871	11.3
95.08520	16.8
97.06420	1.6
105.04482	1.9
105.06959	13.5
107.08538	36.8
109.10092	7.8
119.08534	7.2
121.10098	23.9
133.10060	10.0
135.11656	30.9
145.10147	1.8
147.11682	3.2
149.13228	9.3
171.78754	1.5
257.46909	1.5
259.20679	1.9
277.21582	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03895	1.5
53.46156	1.3
55.05446	28.2
56.96505	1.8
57.07008	7.5
64.89857	1.4
65.03871	2.0
67.05428	29.3
69.03342	1.6
69.06977	15.3
71.04922	2.1
73.25095	1.6
79.04957	3.2
79.05405	78.5
81.06978	36.3
83.04935	1.5
83.08530	4.0
91.05402	34.9
92.10955	2.0
93.06969	100.0
95.04883	10.5
95.08529	22.9
105.04437	1.6
105.06982	15.4
107.08527	42.9
109.06439	3.2
109.10108	4.0
117.06952	2.9
119.08527	9.9
121.10103	29.0
123.11617	2.1
131.08475	2.4
133.10078	9.2
135.07982	2.3
135.11652	27.3
147.11673	2.8
149.13208	9.1
171.69563	1.7
172.95184	2.3
190.96219	2.5
201.70056	1.6
277.21545	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	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03882	4.7
55.05451	23.3
56.96502	4.5
57.07010	2.1
61.74645	1.9
66.46237	1.9
67.05438	32.8
69.06996	14.9
71.04900	2.5
76.57808	2.0
79.05411	73.6
81.06980	28.8
82.62202	2.0
83.08517	2.4
91.05409	40.3
92.10314	3.0
93.06970	100.0
95.04900	12.5
95.08509	16.3
105.06965	13.0
107.08538	37.7
109.06480	1.9
109.10112	8.1
119.08551	9.4
119.41232	1.9
121.10105	25.0
133.10088	7.7
135.11659	16.0
143.08582	2.6
147.11613	2.5
149.13194	3.9
150.53276	2.0
159.11716	2.7
172.95239	10.2
190.96289	9.1
196.90718	2.4
240.79044	2.2
266.98297	2.2
277.21509	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	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03857	2.2
55.05455	24.0
56.02795	1.5
56.96484	2.3
57.07005	4.2
61.39396	1.5
67.05428	52.5
69.06991	19.0
71.04917	2.1
73.05865	1.5
75.06151	1.4
79.05407	78.4
81.06972	55.2
82.22860	1.5
83.08542	2.4
91.05396	37.7
93.06972	100.0
95.04881	10.0
95.08535	35.8
100.63567	1.6
105.06999	14.4
107.08539	37.4
109.10092	11.7
117.07005	1.8
119.08575	13.6
121.06431	2.1
121.10101	25.8
123.08054	2.9
123.11588	2.4
131.08499	2.6
133.10092	10.4
135.11667	18.0
137.13225	3.7
147.11690	3.8
149.13194	9.8
153.09172	2.0
277.16144	2.4
277.21521	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	278.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33267	0.5
52.66163	0.5
53.03884	0.5
55.01825	0.8
56.96501	1.5
57.03358	0.7
61.02854	0.7
68.18627	0.6
68.59789	0.5
69.03337	1.2
70.02866	4.0
79.05409	3.3
85.02866	1.0
91.05405	34.6
97.02799	2.3
98.97499	1.3
103.05399	14.7
104.04929	6.5
107.04907	5.8
115.05407	41.1
116.98544	0.7
117.06963	39.8
120.08052	1.2
129.06966	0.6
130.06500	8.6
131.04890	4.3
143.07236	2.2
144.08064	51.2
145.06464	35.0
145.07603	0.9
147.04341	1.2
149.02309	1.1
153.01787	3.3
155.06010	9.2
172.07538	100.0
173.07858	0.7
190.08597	10.6
218.08087	60.7
225.00648	0.7
246.04686	0.7
273.07391	0.8
278.10181	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	278.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04977	8.9
57.07009	10.5
58.06535	12.3
60.04453	4.0
61.50891	0.6
68.04949	0.7
68.54515	0.6
69.72137	0.7
70.06499	1.1
71.08543	5.4
72.08061	3.3
74.05992	7.7
79.84005	0.6
85.02799	0.7
86.05991	7.3
87.04411	0.9
88.07552	73.1
89.05936	1.1
90.01004	0.7
100.07520	1.4
104.07066	6.1
118.08595	2.8
132.10164	18.3
133.13397	0.7
149.02284	7.6
162.11189	3.9
166.10719	3.5
170.19009	0.7
172.16994	0.8
186.18486	71.5
190.18021	0.8
198.18419	1.0
203.07117	1.0
230.21094	23.6
260.22028	1.6
277.70438	0.8
278.23206	100.0
279.23441	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0932
Annotation	Triphenylphosphine oxid
Peak:m/z	Relative Intensity
51.02314	0.2
53.03865	1.3
57.06987	1.4
69.61886	0.3
72.65169	0.3
77.03875	0.4
81.06943	0.4
92.10149	0.6
95.00409	1.2
95.04903	2.7
105.04461	0.4
107.00410	0.3
121.02821	0.6
128.06136	0.7
129.06932	0.7
141.00934	1.3
149.01161	0.6
149.02328	14.8
154.07729	0.5
167.03421	0.3
171.03534	2.9
173.05135	10.0
183.03578	1.7
201.04581	6.4
205.08575	0.3
219.05669	100.0
220.05972	0.6
259.22601	0.3
263.95386	0.3
272.28537	0.3
279.09286	69.7
280.09726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1339
Annotation	Prolyl-tyrosine
Peak:m/z	Relative Intensity
51.72647	0.5
53.03883	0.9
53.57930	0.4
56.96496	2.7
57.07012	6.2
57.37143	0.5
60.05562	0.5
61.02858	0.6
67.05404	0.8
68.66789	0.5
69.03346	2.2
70.06509	52.1
71.75076	0.5
81.03329	0.7
81.06961	1.3
84.04405	0.7
85.02823	2.9
91.04833	1.3
91.05407	40.8
93.03292	0.6
95.04883	3.1
95.08464	0.6
96.65498	0.6
97.02808	0.7
98.97508	3.5
98.98386	0.7
105.03329	21.8
107.04874	2.0
107.46829	0.5
111.63134	0.5
114.05483	3.7
116.07041	75.4
116.98572	2.9
118.06507	2.5
119.04080	1.1
119.04894	28.1
120.08067	0.9
121.02799	4.5
121.06467	1.0
134.99651	2.2
136.07552	100.0
140.98660	0.5
146.05949	0.7
147.04385	5.6
149.02318	67.0
172.95244	1.0
177.00731	0.9
190.96294	1.3
262.10623	1.1
279.13297	12.5
281.47742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1374
Annotation	Pantetheine
Peak:m/z	Relative Intensity
55.01804	1.6
55.05446	0.8
56.96493	2.6
57.03329	0.5
57.07011	15.6
58.06522	1.0
59.04926	1.3
60.04445	1.6
61.01077	16.0
62.91643	0.7
65.03857	0.8
67.05442	5.7
69.06970	3.4
70.06501	7.1
72.04428	28.2
73.02811	1.1
78.03706	35.5
81.03328	0.6
81.06942	1.0
83.04908	1.0
84.08057	3.8
85.02840	0.8
85.06446	4.6
86.09625	1.3
88.02138	7.4
90.05462	1.2
91.05373	1.6
95.04867	5.2
98.97506	4.3
99.05516	1.5
100.03892	1.0
102.03698	46.1
103.02103	3.4
103.07484	1.2
105.03313	4.5
105.06932	1.2
110.07093	1.4
111.04388	0.9
112.07560	0.6
113.05943	4.6
114.03679	1.3
116.98588	4.8
119.04903	1.1
120.04743	4.5
120.37625	0.6
121.02802	7.3
124.07539	3.6
131.06306	18.5
131.08516	0.8
132.04750	23.5
134.99619	2.8
141.06583	0.8
142.08641	5.5
146.05986	21.5
147.04396	2.9
149.02310	100.0
149.07408	74.7
149.08644	1.1
158.99583	0.8
159.05832	3.0
162.09076	3.5
167.03386	2.7
177.00781	0.7
184.09692	0.7
245.09056	1.4
261.12607	21.9
279.17276	1.1
287.82657	0.7
298.25146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.159
Annotation	Monooctyl phthalate
Peak:m/z	Relative Intensity
57.07011	13.0
60.05026	0.3
65.03853	1.4
82.36942	0.3
93.03325	0.5
121.02823	6.7
121.03806	0.7
149.02316	100.0
167.03400	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1702
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
53.07907	0.4
55.05445	0.6
55.44434	0.4
56.96511	1.6
57.07013	4.1
58.43962	0.4
59.19756	0.5
65.03847	0.7
66.17451	0.5
67.05426	0.6
68.72913	0.5
69.07018	0.5
70.06507	0.6
72.97104	0.5
79.05408	1.0
79.33206	0.5
81.06996	0.8
83.04912	0.5
86.09627	87.6
91.05412	1.1
91.17439	0.4
93.06957	3.5
95.08588	0.6
97.02813	0.8
98.97513	2.0
103.05374	6.2
107.04920	2.9
116.98546	0.9
120.08057	100.0
121.02821	2.9
123.77018	0.6
130.06519	0.6
133.10132	0.9
134.99632	0.5
147.04413	1.1
149.02312	41.7
151.94879	0.4
163.11189	1.0
166.08597	5.6
172.75847	0.5
177.00764	0.6
180.87311	0.5
233.16504	0.6
279.17053	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	279.2315
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03882	2.2
55.01806	9.9
55.05451	25.5
57.07004	14.3
59.19602	2.3
65.03847	2.8
67.05424	82.4
68.63028	1.9
69.06978	37.9
71.08553	2.3
73.07446	2.1
77.07324	2.4
79.05402	50.8
81.06967	84.6
83.04880	3.3
83.08528	15.4
83.41091	1.8
91.05399	35.9
93.06960	100.0
95.04868	3.5
95.08525	68.2
97.06454	4.0
97.10078	4.1
105.06937	21.1
107.08526	63.3
109.10128	27.0
114.36995	2.2
117.06953	5.2
119.08507	16.7
121.02824	3.3
121.06409	2.2
121.10089	32.0
123.11656	4.6
131.08505	24.3
133.10104	9.4
135.08009	18.6
135.11659	14.9
137.09615	3.8
145.10075	10.5
147.11673	5.3
149.02304	70.9
149.09625	20.1
149.13205	3.8
151.11137	3.4
159.11690	9.7
161.13197	3.6
163.11089	3.2
167.10637	3.5
173.13268	4.6
174.32884	2.1
195.13821	2.8
219.21046	9.4
243.21053	15.3
261.22128	10.2
279.23007	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	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03896	0.6
55.05455	10.2
57.07008	1.5
58.85868	0.6
65.03860	2.9
67.05431	100.0
69.06993	7.6
79.05408	10.1
81.06978	88.8
83.08551	3.6
91.05405	3.7
93.06967	9.0
95.08534	59.0
97.00474	0.8
97.10103	1.4
105.06968	3.2
107.08524	5.8
109.06433	0.7
109.10107	32.5
119.08462	1.6
121.10111	5.3
123.11670	13.9
131.08528	2.8
135.11681	1.4
137.13214	4.9
145.10080	1.0
147.11671	0.9
149.02325	21.8
161.13200	0.9
173.13266	1.1
195.13815	1.0
201.83658	0.6
223.16873	0.8
251.60222	0.7
261.22189	1.2
279.23148	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	279.2316
Annotation	4-[3-(4,8-Dimethyl-3,7-nonadienyl)-3-methyloxiranyl]-2-butanone
Peak:m/z	Relative Intensity
55.05444	8.7
57.07005	1.0
58.09223	0.9
64.33114	0.9
65.03874	1.9
66.23123	0.9
67.05423	100.0
69.06992	9.2
71.04890	1.0
79.05415	12.7
81.06970	88.5
83.08537	2.0
91.05390	1.9
93.06970	12.6
95.08527	64.1
105.06972	2.1
107.08516	4.4
109.06470	1.0
109.10105	18.3
111.08006	1.1
119.08504	1.3
121.10127	2.5
123.11655	6.4
131.08546	4.9
133.10072	1.0
135.11656	2.2
137.13242	4.7
139.66612	1.0
149.02278	10.1
149.09775	1.0
149.13278	1.6
159.11655	1.6
173.13225	1.9
174.98444	1.2
209.15375	1.7
225.84770	1.0
238.03188	1.1
279.23050	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	279.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44481	1.4
54.81458	1.6
55.05447	11.5
57.03373	1.2
57.07013	11.2
67.05426	96.9
68.05750	1.3
68.50137	1.5
69.06989	10.2
71.08547	1.9
79.05406	15.9
81.06974	100.0
83.04904	1.6
83.08543	3.1
85.10139	1.8
91.05405	6.2
92.10181	1.6
93.06969	15.3
95.04898	1.9
95.08533	74.9
97.06459	1.5
105.06973	3.1
107.08512	10.2
109.06484	1.8
109.10096	20.0
121.02827	2.9
121.10103	6.7
123.11655	7.9
123.34747	1.4
131.08528	2.5
135.11653	2.2
137.09654	1.5
137.13249	2.3
145.10077	2.1
149.02310	67.9
151.11234	1.5
156.97427	21.9
167.03336	1.8
173.13306	2.8
174.98500	54.8
182.00603	1.6
194.99057	7.3
198.00154	1.6
200.01678	8.7
210.92238	1.7
213.00050	59.8
231.01086	9.9
236.01591	2.6
238.03317	1.7
238.49048	1.6
256.38531	1.5
256.64539	2.2
259.64832	1.3
279.23132	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	279.2317
Annotation	4-[3-(4,8-Dimethyl-3,7-nonadienyl)-3-methyloxiranyl]-2-butanone
Peak:m/z	Relative Intensity
53.00261	1.7
55.01815	1.3
55.05453	9.9
56.96503	6.8
57.07017	13.6
62.27502	1.1
65.03876	1.9
65.95164	1.0
67.05074	2.6
67.05428	61.3
67.05787	2.1
69.03340	1.6
69.06985	12.2
71.08544	9.5
75.09188	1.0
76.13450	1.0
79.05411	13.6
81.06976	62.6
82.73063	1.1
83.04883	1.7
83.08545	1.9
85.10122	7.4
91.05392	7.6
93.06976	10.8
95.08533	44.9
99.08024	7.3
105.06978	9.5
107.08559	10.3
109.06438	2.1
109.10094	12.9
111.04382	2.1
113.09570	5.9
115.57072	1.1
117.06959	1.2
118.85925	1.4
119.08527	2.0
121.02832	5.6
121.10097	5.6
123.11676	1.7
131.08554	2.7
133.06462	1.9
133.10130	4.7
135.07996	2.3
135.11722	4.6
137.13231	1.5
147.11673	7.4
149.02316	100.0
167.03369	1.6
172.95197	1.6
173.13100	1.4
190.96304	2.3
225.41592	1.4
233.10599	1.3
251.11624	9.4
261.22217	3.8
279.23087	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	279.2317
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.82779	1.0
53.03879	1.3
54.81593	1.0
55.05448	17.7
57.07008	4.9
65.03846	1.0
67.05425	100.0
69.06979	16.0
71.04930	1.3
79.05411	21.1
79.80741	0.9
81.06975	96.3
82.11575	0.9
83.08544	9.6
85.06479	1.9
91.05398	8.9
92.10181	2.1
93.06972	17.3
95.04900	1.6
95.08529	71.7
97.06468	3.9
97.10095	5.8
105.06994	7.0
107.08543	7.6
109.10101	26.6
119.08554	8.9
121.02836	1.7
121.10059	9.1
122.88675	0.9
123.08009	1.6
123.11663	9.1
131.08542	2.1
133.10085	4.3
135.11664	5.0
137.13177	2.1
137.74640	1.0
145.10059	1.4
147.11665	5.2
149.02310	38.4
149.13261	1.5
149.47081	1.0
161.13243	4.7
173.13232	1.1
179.14282	1.8
183.62402	1.1
219.05637	7.7
243.21190	1.5
261.22073	2.4
276.25705	1.0
279.09222	6.3
279.23080	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	279.2317
Annotation	4-[3-(4,8-Dimethyl-3,7-nonadienyl)-3-methyloxiranyl]-2-butanone
Peak:m/z	Relative Intensity
50.96173	1.1
55.05450	8.2
55.53377	0.9
57.07013	9.7
65.03840	2.1
67.05429	100.0
69.06980	7.1
71.04897	1.1
72.95078	1.0
79.05400	15.2
81.06976	83.4
81.30649	1.1
83.08536	2.7
91.05404	2.0
93.06969	12.5
95.08535	58.6
97.06466	1.7
105.06990	2.0
107.08533	5.8
109.10111	16.7
111.76341	1.2
117.07023	1.6
119.08482	1.6
121.02819	2.4
121.10130	5.6
123.11656	5.1
131.08554	2.7
133.10063	1.5
135.11650	1.6
137.13231	2.5
145.10146	1.6
147.11607	1.2
149.02318	63.7
149.13293	1.8
150.02696	1.5
151.14673	1.3
163.11174	1.6
172.95203	4.9
173.13248	1.3
190.96262	1.8
200.02606	1.6
202.38985	1.2
210.92137	2.3
267.53003	1.2
279.23224	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	280.129
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
52.68428	1.6
53.03881	1.9
55.05450	1.8
56.96494	8.2
57.07006	11.2
58.06530	2.3
58.84001	1.8
65.03843	2.0
67.05399	2.2
70.02865	13.2
70.06507	8.3
72.08082	2.8
79.05402	3.5
81.06969	4.7
84.08086	3.3
85.02827	3.3
85.07897	1.7
87.05515	45.1
88.03907	12.2
91.05407	93.1
93.06979	2.2
95.08544	4.2
98.02348	2.5
98.97514	4.4
103.05405	32.2
105.03325	9.6
105.97530	1.9
106.03664	3.3
107.04890	12.5
112.68462	1.7
116.98576	3.7
119.04861	3.5
120.08051	100.0
121.02801	9.2
122.03111	2.0
123.07963	4.5
128.40056	1.8
129.06981	3.2
130.06491	16.0
131.04890	19.8
131.08467	1.7
132.08037	2.8
134.99615	3.2
136.06155	18.6
144.08069	7.8
145.17419	2.0
147.04382	9.7
147.09151	4.4
149.02313	69.1
149.05910	2.5
150.02641	36.2
154.06454	3.3
157.06465	12.3
162.04085	9.0
166.08606	16.6
172.07536	27.3
175.08629	53.8
182.05956	28.4
187.41425	2.1
200.07016	69.5
203.08154	2.3
217.09648	3.3
221.09177	22.9
228.06509	2.1
234.12289	7.6
245.09151	2.4
246.07617	23.6
262.15558	2.6
262.23087	1.9
263.10141	15.3
264.59131	2.1
280.12823	2.3
290.23187	2.2
304.02316	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	280.1292
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
55.05437	2.1
56.96497	7.1
57.07000	7.4
58.06549	1.7
62.06028	2.5
64.14069	1.5
67.05425	2.3
69.07003	1.5
70.02878	12.7
70.06501	6.0
71.04901	1.6
72.08043	1.6
79.05402	8.2
80.75732	1.6
81.06965	6.7
84.04438	1.6
84.08082	5.1
85.02834	3.4
87.05522	40.5
88.03919	9.6
91.05412	100.0
93.06973	1.9
95.04890	3.2
95.08534	3.4
97.06441	1.7
98.02355	2.4
98.97507	6.9
103.05407	35.7
105.03330	10.2
105.04425	2.1
106.03681	3.2
107.04894	16.8
116.98582	3.4
119.04913	7.4
120.08058	87.8
120.08913	2.9
121.02834	2.9
123.07947	3.4
129.06978	3.2
130.06497	11.3
131.04900	12.2
132.07974	1.9
134.99585	3.1
136.06181	22.6
144.08015	6.2
145.06554	3.2
147.04333	11.2
147.09122	6.3
149.02332	57.4
149.05994	6.2
150.02658	29.7
150.05376	1.6
154.06473	3.8
157.06458	13.2
161.01111	1.5
162.04068	9.2
166.08646	12.5
172.07550	23.1
175.08633	44.2
176.06989	3.7
177.00642	1.8
182.05939	22.8
200.07053	61.8
203.08055	2.5
217.09619	1.8
221.09131	19.0
234.12418	5.6
235.10602	1.8
245.09045	3.1
246.07593	27.5
263.10129	12.9
280.12714	3.4
280.15793	2.2
281.10901	1.8
287.84561	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26472	0.4
53.93785	0.3
54.81584	0.4
55.01805	0.8
55.05449	1.0
58.99520	3.6
61.01075	3.2
67.05418	2.4
69.06981	2.6
76.02143	1.7
76.53621	0.4
79.05415	3.0
81.06970	2.5
83.04879	0.8
88.02135	87.6
91.05399	2.7
93.06966	3.1
95.04915	0.8
95.08519	0.8
97.06451	1.5
103.05396	4.1
105.06962	3.7
107.04896	2.0
107.08516	0.9
109.06482	0.5
109.10087	0.5
117.05693	0.4
117.06982	0.6
119.08527	2.2
120.08051	100.0
121.10062	0.5
123.08044	0.9
130.06503	2.1
131.04887	2.2
131.08517	0.4
132.08047	16.5
133.10049	0.6
135.07933	0.5
143.08528	0.4
144.08063	0.8
147.08005	0.5
149.02286	0.5
149.05983	1.7
149.09508	0.5
150.02551	0.6
156.78407	0.5
157.10048	0.6
162.29353	0.4
166.08585	24.6
178.08583	3.4
182.12566	0.4
190.06857	2.1
196.02031	0.4
218.06355	2.0
235.08920	5.2
255.18666	0.4
257.62079	0.4
259.36591	0.5
264.06900	0.5
281.09460	7.7
284.68933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1128
Annotation	H-PHE-ASP-OH
Peak:m/z	Relative Intensity
55.05449	0.5
55.69410	0.2
58.06522	0.2
58.86939	0.2
60.08084	0.9
69.06999	0.3
70.06489	0.2
70.10812	0.2
72.08067	2.6
73.46295	0.2
74.05984	0.5
84.04392	0.2
88.03912	0.4
89.25177	0.2
91.05392	1.0
93.06973	2.7
95.04897	0.4
101.05959	0.2
103.05402	8.4
103.06080	0.3
105.06993	0.3
107.04882	0.4
114.37273	0.2
120.08057	100.0
121.08354	0.3
127.18459	0.2
128.66194	0.2
134.04451	0.5
134.05978	2.0
135.44768	0.2
138.05450	0.2
147.04376	0.4
152.06804	18.7
159.17091	0.2
165.05455	0.3
176.06984	0.2
195.55716	0.2
235.14441	1.0
247.17281	0.2
281.11807	2.3
281.14523	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	281.1129
Annotation	H-PHE-ASP-OH
Peak:m/z	Relative Intensity
53.45867	0.4
53.86454	0.5
55.05446	2.6
56.04967	0.7
56.94015	0.5
56.96503	0.8
57.07003	1.0
64.33936	0.5
67.05426	1.9
69.06979	4.8
70.02876	4.2
70.06508	0.9
74.02348	2.4
74.05972	0.8
81.06984	2.3
81.97256	0.6
83.08537	2.2
84.04406	0.8
88.03917	21.8
91.05405	14.8
93.06969	1.3
93.46806	0.6
95.04891	0.7
95.08522	2.5
96.44730	0.5
97.10126	0.7
98.02319	0.5
98.97507	0.8
102.05460	0.8
103.05407	9.8
105.03362	0.6
107.04897	4.8
107.08507	0.6
110.07087	0.5
111.11746	0.6
116.98550	1.2
119.03492	5.0
119.04913	3.1
120.06570	3.2
120.08054	100.0
121.08386	1.0
121.10093	0.5
129.06955	0.9
130.06490	5.6
131.04915	3.8
133.10089	0.7
134.05962	0.6
136.06157	74.1
137.04552	4.1
144.08066	2.7
147.04388	5.4
147.09119	0.5
149.05931	0.9
150.02695	1.0
157.06425	1.3
162.04076	38.0
166.08601	16.6
172.07549	4.9
175.08652	7.6
182.05954	4.4
189.10197	0.5
190.08659	1.1
200.07050	9.9
217.09795	0.7
218.08043	0.6
221.09262	0.9
235.10706	9.0
237.06737	0.6
245.22647	0.8
246.07498	4.5
263.10220	2.0
281.10275	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	281.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89406	2.1
54.71658	2.0
55.01808	2.3
55.05445	14.2
56.96494	10.6
57.03378	4.4
57.07014	3.2
59.04913	2.6
67.05429	50.6
67.36741	2.0
69.03347	11.9
69.06983	11.5
70.06519	2.9
71.04900	2.4
79.05398	14.0
81.06977	23.5
83.01253	4.0
83.04903	19.4
83.08538	3.4
84.04447	1.9
85.02824	19.0
91.05414	22.2
93.06968	23.8
95.04904	24.8
95.08514	20.4
97.06452	3.1
98.97516	2.7
105.06974	18.2
107.04904	15.2
107.08530	11.7
109.06467	12.0
109.10104	71.2
110.42854	2.4
111.04397	2.8
111.08045	3.7
116.71896	2.2
116.98558	5.1
119.08538	15.8
120.08036	9.2
121.06470	11.2
121.10064	3.3
122.07293	16.1
123.08024	3.9
127.03892	2.2
131.08540	9.6
133.06476	4.8
133.10103	22.3
134.99586	5.4
135.08015	5.4
137.05994	3.5
137.09592	100.0
137.23135	2.2
141.06868	2.5
143.08585	2.6
145.10086	3.3
146.54739	2.0
147.09157	2.6
147.11694	5.0
149.02303	2.8
149.09604	12.4
150.02649	9.1
151.07532	4.0
151.11201	4.3
156.09300	3.6
161.09697	2.6
170.27943	2.3
171.11676	10.0
173.09561	9.0
173.13232	2.6
175.11200	4.2
177.00647	3.4
179.06978	9.5
179.10625	4.4
188.11911	3.0
189.12730	8.7
206.12915	2.9
227.10564	3.7
263.12784	4.8
281.10773	4.4
281.13925	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	281.1497
Annotation	L-tyrosyl-L-valine
Peak:m/z	Relative Intensity
55.01798	0.7
55.05452	3.4
56.96497	0.7
57.07009	0.5
59.17508	0.3
65.03858	0.4
67.05421	1.4
69.03336	0.6
69.06982	1.8
70.06511	1.7
71.16248	0.3
72.08074	13.1
79.05388	0.5
80.02437	0.3
81.03313	0.5
81.06973	1.8
83.08526	1.4
84.08070	0.8
85.02822	1.3
88.96764	0.3
90.05492	1.6
91.05410	38.5
93.06964	0.7
95.04885	0.8
95.08538	0.6
97.02827	0.5
97.10087	0.4
98.97541	0.6
102.46922	0.3
103.05391	0.4
107.04897	1.8
107.08541	0.6
109.06485	1.2
113.05964	0.4
116.03472	0.4
116.07038	0.5
116.98563	0.6
117.58190	0.3
118.06509	1.4
118.08616	1.6
119.04903	28.8
120.08065	2.3
121.06479	2.7
121.10078	0.3
127.29400	0.3
131.08524	0.5
134.99687	0.6
136.07559	100.0
137.07939	0.6
145.10080	0.4
147.04381	3.6
149.09608	0.4
162.03998	0.5
166.76044	0.4
182.08153	0.4
214.84131	0.3
220.11763	0.7
235.14430	0.8
264.12250	0.5
281.14932	5.3
294.37772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2472
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
55.05453	86.7
57.07018	24.4
62.39133	2.3
63.52877	2.2
67.05426	60.6
69.06985	100.0
71.08531	3.0
75.74106	2.8
79.05405	19.0
81.06973	75.6
83.04896	3.5
83.08541	62.7
85.06506	3.5
91.05412	26.0
93.06979	27.7
95.08540	66.6
97.06453	12.0
97.10109	42.8
99.08024	2.5
104.05716	2.9
105.06979	30.7
107.08546	18.4
109.10107	35.1
111.07971	2.8
111.11660	13.2
119.08536	26.1
121.10078	18.9
123.07998	4.0
123.11658	16.5
125.09570	3.2
133.10094	29.0
135.11673	12.6
139.11183	2.9
147.11710	12.4
149.13190	3.8
151.11208	3.1
161.13271	4.7
163.14720	4.3
175.14746	6.9
188.18628	2.6
197.13200	4.2
198.27263	2.9
199.58722	2.5
205.90848	3.3
213.12733	4.0
221.13153	5.3
221.22684	3.1
233.35597	2.8
235.14731	4.1
245.22562	21.0
263.17905	3.0
263.23685	20.5
281.18771	19.6
281.24252	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	281.2473
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
51.99297	1.9
52.07513	1.4
53.00240	2.0
53.03879	2.0
54.81918	1.9
55.01807	2.4
55.05453	80.5
56.96493	2.2
57.03371	3.8
57.07013	31.4
66.39775	1.6
67.05430	42.8
69.03345	16.0
69.06989	100.0
71.04899	7.3
71.08550	19.0
74.58825	1.9
77.06319	1.8
78.41629	1.8
79.05411	19.9
81.06977	73.9
83.04906	12.0
83.08536	50.7
85.02818	2.9
85.06461	7.7
85.10076	2.8
86.09615	2.1
87.42027	2.0
88.03912	2.8
91.05411	21.5
92.11027	3.6
93.06992	20.9
95.08537	60.2
97.06443	4.1
97.10104	36.3
98.97513	4.5
104.10676	7.3
105.06983	22.3
107.08534	53.9
109.06468	4.3
109.10101	22.8
111.04380	2.2
111.11677	10.9
116.98546	10.1
119.08526	18.2
121.10104	11.4
122.67443	1.8
123.08017	3.4
123.11672	8.5
128.35130	1.9
133.06439	3.0
133.10081	16.5
134.99626	4.0
135.08020	21.3
135.11659	7.0
137.09584	2.9
137.13275	2.1
140.52570	2.2
147.11659	9.3
149.13306	3.1
151.11191	4.0
153.00636	2.1
161.13211	8.5
165.12718	3.4
172.95146	2.5
175.14787	4.6
184.07359	2.3
211.08128	2.3
245.22667	11.5
263.23557	10.2
276.62399	2.0
277.00748	1.8
280.35150	1.9
281.24692	3.2
293.39386	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2474
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
53.78069	5.0
55.05450	74.4
56.24866	6.6
56.96491	26.6
57.06990	11.3
67.05422	36.0
69.06985	100.0
71.08567	9.5
79.05416	9.4
81.06979	75.0
83.08537	44.4
83.36958	7.6
91.05409	31.3
92.63979	7.8
93.06986	17.2
95.08524	40.1
97.06447	8.5
97.10108	38.2
98.97513	12.4
98.98362	8.0
105.06974	15.5
107.08530	11.8
109.10084	28.0
113.96017	7.7
116.98569	30.3
119.08487	7.5
133.10138	14.1
134.99596	34.5
135.11581	7.7
138.71721	7.5
182.09079	7.1
210.92155	38.0
211.92104	10.0
249.64526	7.4
263.23792	12.0
281.24908	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	282.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23869	0.9
54.81905	1.2
55.05444	2.3
56.45454	1.0
56.96507	17.1
57.07022	0.9
57.75285	1.0
57.99256	0.8
64.52596	0.8
69.06999	2.2
71.95188	2.2
81.06936	1.3
81.15785	0.9
83.08546	1.8
95.08535	1.6
97.10091	1.3
98.97512	55.1
116.98573	81.7
119.01889	5.5
128.22821	0.9
134.99629	100.0
137.02988	2.2
153.00691	35.8
156.97473	1.3
158.01274	1.4
169.81360	1.0
174.98589	4.0
200.81778	1.0
216.99728	1.8
219.01855	1.4
220.02077	1.1
223.09988	1.0
236.98560	5.5
258.99664	13.8
277.00769	66.6
300.02237	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	282.1195
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01810	0.5
55.05442	0.5
55.84791	0.2
56.96496	1.1
57.03363	1.1
59.04919	1.1
60.04463	0.2
61.02843	0.5
62.13781	0.2
67.05416	0.3
69.03347	3.0
69.06977	0.4
70.06512	0.3
71.04903	0.3
73.31080	0.2
75.04372	0.4
77.16220	0.2
81.06982	0.4
83.05519	0.3
84.02603	0.2
84.08059	0.4
85.02821	1.0
85.06446	0.9
87.04391	1.0
88.03886	0.3
89.88352	0.2
91.05416	0.4
94.03947	0.4
95.04897	0.4
95.42086	0.2
97.02827	1.0
98.97494	0.5
101.05936	1.5
105.03302	0.4
105.06933	0.3
107.04844	0.3
110.07104	0.2
115.03848	0.3
116.98545	0.4
119.03510	1.2
119.08545	0.3
120.08089	0.5
121.08424	0.4
123.04372	0.2
134.99620	0.5
136.06152	100.0
137.04590	1.7
137.06564	0.4
147.04373	0.5
260.04639	0.3
265.14487	0.3
282.11978	3.6
300.12201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2789
Annotation	Stearamide
Peak:m/z	Relative Intensity
55.05437	2.4
55.29235	0.4
57.07003	6.4
69.06982	0.4
70.06507	1.9
71.08529	2.8
72.04436	8.8
72.08070	39.2
76.56733	0.4
79.36997	0.5
81.06975	0.7
82.35743	0.4
83.08549	0.7
85.10092	0.8
86.50182	0.4
92.10819	0.8
95.08487	0.7
97.10120	0.5
98.05987	2.3
123.00732	0.4
128.10680	2.5
134.09604	3.4
142.12270	3.2
156.13777	0.8
181.98770	0.5
203.42575	0.5
282.22128	7.6
282.27847	100.0
283.28064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87120	0.5
55.01796	0.8
55.05452	6.8
56.96490	3.7
57.03370	2.6
57.07005	4.2
59.04924	1.1
65.03862	3.8
67.05428	100.0
69.03311	1.0
69.06991	7.3
70.06515	4.0
71.04910	20.5
72.08080	1.0
74.98978	1.0
79.05408	4.3
81.06972	15.1
83.04868	0.6
83.08544	1.3
84.04436	0.6
84.08077	1.2
85.02842	2.2
85.06467	11.4
87.08011	1.1
91.05376	1.4
93.00013	0.9
93.06962	0.7
95.04896	1.1
98.97514	4.3
107.08532	2.6
109.10103	28.5
114.37020	0.6
116.54879	0.6
116.98572	3.8
119.04868	0.9
119.06030	0.6
120.99500	3.9
126.05485	0.8
127.11159	6.3
128.98499	0.6
134.99638	1.5
135.27106	0.7
136.07530	2.8
137.07913	1.1
137.88539	0.6
146.99597	0.7
147.04460	0.7
149.06505	2.1
177.00633	1.2
178.08734	0.7
201.00703	0.6
202.09306	0.8
245.06950	1.1
247.09909	3.3
260.09647	1.0
265.10971	18.6
283.11975	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	283.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17310	0.7
55.02933	5.9
55.05440	2.1
57.97999	0.8
65.91875	0.8
70.06141	1.4
70.06512	32.6
72.05548	1.7
72.08071	82.3
74.05974	0.9
82.90160	0.7
86.09653	1.0
86.93225	0.8
97.07594	45.4
108.04420	3.6
111.04400	1.4
112.08664	6.3
114.10247	100.0
114.61461	1.0
126.05478	68.0
136.07536	2.0
138.05481	21.1
139.06258	1.2
150.07689	1.1
151.05006	3.8
152.05641	4.7
173.32213	0.8
178.08594	7.1
180.10155	88.0
197.12831	3.8
206.08003	1.4
222.12312	6.1
223.10789	1.7
239.14964	21.2
254.93610	0.8
265.12915	4.7
283.13959	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	283.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48568	2.4
55.05447	13.1
56.25436	3.0
56.96507	12.9
57.03374	3.3
57.07003	4.4
60.05572	21.2
66.46971	2.5
67.05429	5.3
69.03343	14.1
69.06972	4.5
70.06512	85.1
71.04900	19.7
72.08069	71.2
79.05407	6.5
81.06962	3.5
83.08542	3.7
84.01494	3.1
84.04430	17.6
84.08065	14.5
86.05980	3.4
91.05415	13.5
93.06978	5.8
95.04893	13.5
96.04413	7.5
97.07588	20.5
98.97529	7.2
103.05396	3.0
107.04845	4.1
109.02834	3.5
110.05968	12.0
110.07122	13.2
112.07551	5.4
112.08679	3.2
114.10234	33.2
114.36723	3.8
116.98547	6.4
120.04384	4.1
120.08068	12.8
121.02845	3.4
121.03925	3.4
124.07574	4.2
126.05494	22.1
128.96284	2.8
130.09740	25.4
134.09581	6.6
134.99638	4.6
136.03864	4.6
136.07573	33.5
138.05493	19.0
138.09131	38.6
147.04346	3.4
152.11829	4.2
160.07602	7.2
178.08578	85.2
178.09940	5.3
180.09979	42.3
180.11343	15.9
181.09679	4.2
182.08110	34.7
205.09705	3.5
211.03439	3.1
219.16695	3.5
222.12286	11.8
224.10245	13.2
237.03006	3.9
239.14935	3.8
266.11160	21.8
283.11169	7.6
283.13953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2628
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
53.00262	2.3
55.01808	2.2
55.05453	61.4
57.07014	79.7
64.33549	3.2
67.05423	23.9
69.06992	100.0
71.08543	41.6
72.04432	4.3
73.06441	2.9
78.83784	2.2
79.05417	20.0
81.06969	44.1
83.04921	5.4
83.08536	45.4
85.10088	15.0
87.30101	2.2
91.05372	3.8
93.06972	35.8
95.08534	32.0
97.06446	21.5
97.10098	26.8
105.38113	2.8
107.08532	27.5
109.10114	15.3
111.08035	14.0
111.11673	2.8
121.10059	24.1
122.41147	2.7
123.11597	2.9
125.09596	4.6
135.11620	20.5
139.11136	4.3
141.57144	2.6
143.10699	3.1
149.13203	14.8
153.12714	5.9
153.21591	2.7
160.64040	2.8
163.14719	4.1
191.17946	3.4
195.17311	4.4
244.06897	2.9
247.24084	15.7
265.25046	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37009	5.4
55.05447	92.2
55.05640	5.7
55.14687	5.7
57.07016	92.2
66.21207	5.8
67.05423	50.4
69.06994	100.0
71.08549	45.7
71.46684	6.6
71.67966	6.4
79.05410	15.4
81.06987	43.6
83.08538	60.1
85.10135	9.9
93.06976	15.2
94.52962	6.4
95.08546	35.6
97.06482	12.6
97.10110	28.0
107.08523	37.5
109.10092	12.1
121.02995	6.7
121.10123	26.0
135.11636	11.8
149.13263	10.2
165.16507	7.2
247.24284	10.8
249.79713	7.6
265.25208	9.1
283.22421	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	283.263
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
50.00390	2.0
55.01801	2.3
55.05449	81.4
57.03371	3.7
57.06739	2.9
57.07012	72.2
67.05421	27.4
69.06989	100.0
71.08227	3.0
71.08547	39.0
72.83414	2.3
79.05421	22.5
81.06968	50.8
81.15271	2.2
83.04890	6.2
83.08537	51.4
85.06468	2.7
85.10107	17.6
92.10933	5.8
93.06980	40.8
95.08524	37.0
97.06441	18.5
97.10094	33.6
107.08548	24.5
109.10115	11.7
111.08014	10.4
111.11691	4.7
121.10096	25.6
125.09575	4.7
135.11630	19.6
139.11143	4.8
149.13231	9.9
163.14766	5.0
167.14290	2.8
177.16364	5.8
181.75543	2.7
218.67076	2.5
227.65010	2.7
247.24086	13.7
265.25140	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	284.099
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
55.01801	0.4
57.03362	0.5
58.99285	0.1
61.02847	0.2
61.68520	0.1
69.03343	0.4
70.06494	0.2
71.01274	0.1
72.08067	0.5
73.02846	0.2
85.02825	0.2
97.02863	0.2
109.05089	0.5
110.03492	2.7
114.10240	0.6
126.05472	0.5
128.04535	2.0
134.04575	0.2
135.02994	5.1
136.06157	0.4
152.05656	100.0
153.04059	12.9
153.05009	0.3
153.05972	0.3
154.02466	0.2
166.16121	0.1
180.10176	0.5
181.10452	0.2
293.63120	0.1
307.89166	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	284.2944
Annotation	Stearamide
Peak:m/z	Relative Intensity
55.05444	1.5
57.07015	12.9
59.62543	0.7
67.53239	1.0
69.06969	1.3
71.04874	0.9
71.08524	1.8
72.04419	5.7
74.46077	0.9
78.68200	0.9
81.06976	0.9
84.43156	0.9
85.10099	1.3
88.07518	1.2
102.01342	0.9
102.09113	4.9
116.10674	12.2
130.12221	5.5
141.03635	0.9
144.13776	1.2
192.72818	1.0
193.65668	1.0
261.98999	1.0
262.84503	1.0
284.29431	100.0
284.32629	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	284.2944
Annotation	Stearamide
Peak:m/z	Relative Intensity
50.82668	0.6
57.07015	9.2
60.54735	0.7
60.55082	0.7
64.49437	0.7
71.08530	4.1
72.04421	8.3
76.56026	0.7
78.37783	0.7
85.10119	1.4
91.89462	0.8
102.09126	5.0
116.10681	6.0
130.12242	1.8
177.77309	0.8
284.29419	100.0
285.29590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2945
Annotation	(2r,6s)-4-dodecyl-2,6-dimethylmorpholine
Peak:m/z	Relative Intensity
53.10745	1.3
53.58957	1.4
57.07006	23.6
58.08651	1.3
60.04441	9.2
60.08090	30.9
64.80444	1.7
71.08530	9.2
72.04409	1.8
74.09627	43.5
80.59683	1.5
85.10101	2.9
112.19584	1.7
118.19753	1.5
200.29440	1.7
242.05721	2.3
270.05112	6.9
278.10321	1.9
284.29379	100.0
284.33005	79.2
285.07440	19.5
286.04236	1.6
293.30859	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99455	1.7
54.25551	1.9
64.33221	2.3
106.49121	2.4
149.23688	2.5
158.30629	2.9
168.05678	4.1
196.05141	2.5
197.05949	10.9
225.05415	11.2
229.08710	3.3
240.86067	2.7
242.05652	29.3
270.05203	45.9
285.07544	100.0
286.07361	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	285.0735
Annotation	Acacetin
Peak:m/z	Relative Intensity
50.29897	0.9
54.62330	1.0
54.66225	0.8
55.05444	1.6
67.05426	1.0
73.41081	1.0
75.71600	0.9
79.05386	1.1
79.35358	0.9
82.82902	1.0
83.17294	0.9
86.86089	0.9
91.05421	2.1
101.05931	1.1
102.49963	0.9
105.06982	2.1
107.04890	1.2
118.04090	2.4
124.01559	1.3
141.06976	1.7
141.79500	1.0
144.75429	1.3
152.19374	1.0
167.03416	1.9
168.05647	4.3
169.06369	5.4
194.88992	1.0
196.05130	3.5
197.05962	9.1
214.06299	1.6
224.04448	1.2
225.05396	10.2
229.08472	8.5
242.05684	25.0
253.05048	1.4
270.05167	38.1
285.07510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0742
Annotation	Acacetin
Peak:m/z	Relative Intensity
55.57308	0.9
62.91687	1.1
64.91805	1.0
64.98830	1.1
71.52201	0.9
79.05414	1.4
81.06970	2.1
102.07866	1.0
107.04868	1.4
111.04348	1.4
118.04090	6.6
140.06120	1.0
141.06996	1.5
145.02849	1.3
163.03894	1.3
168.05618	2.7
169.06480	5.4
197.05946	9.3
214.06094	2.7
225.05478	9.7
229.08598	6.1
242.05685	28.2
257.07944	1.4
270.05170	42.3
285.07513	100.0
306.84668	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0746
Annotation	Acacetin
Peak:m/z	Relative Intensity
54.73941	0.5
57.19006	0.5
108.02073	0.6
118.04126	2.9
119.04880	0.8
121.02800	1.2
125.02281	0.9
133.02846	1.1
139.03838	1.2
141.06932	2.6
145.02867	1.4
152.01015	0.9
152.74034	0.6
157.06442	0.7
158.07207	0.8
163.22847	0.6
167.03358	1.4
168.05676	2.7
169.06438	5.1
185.05923	0.8
186.06674	1.0
196.05165	3.2
197.05945	10.2
203.87991	0.6
213.05498	1.3
213.40944	0.6
214.06281	2.5
225.05388	10.5
229.08514	6.5
242.05685	24.1
270.05170	41.2
285.07520	100.0
285.88477	0.7
286.08002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0743
Annotation	Acacetin
Peak:m/z	Relative Intensity
50.04640	0.9
50.47358	1.0
51.69632	0.9
57.59563	1.3
59.67433	0.9
59.72163	0.9
61.63266	1.0
81.03320	1.4
81.06958	1.1
82.60590	1.2
83.04867	1.1
100.11186	1.8
111.04412	1.4
118.04083	2.9
125.02249	1.6
131.65712	1.2
139.03786	2.0
141.06921	1.7
145.02811	1.3
167.03384	1.9
168.05690	1.6
169.06442	8.7
196.05209	1.5
197.05916	9.5
214.06194	2.3
225.05496	8.7
229.08519	9.6
234.12569	1.3
242.05688	24.8
270.02911	1.2
270.05157	45.3
285.07510	100.0
286.07953	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	Acacetin
Peak:m/z	Relative Intensity
54.81477	0.2
55.01799	0.2
68.99696	0.5
89.03822	0.2
91.05414	1.0
92.10245	0.2
96.02038	0.2
105.03355	0.2
107.04890	0.2
108.02039	0.3
109.02737	0.2
111.04382	0.9
111.13721	0.1
115.05357	0.3
118.04103	3.1
119.04875	1.0
121.02806	1.0
124.01515	1.2
125.02311	1.3
133.02820	0.3
134.03578	0.6
135.04337	0.1
139.03897	1.4
141.06985	3.0
144.05779	0.2
145.02818	1.6
145.06406	0.2
147.04373	0.2
152.01021	1.3
157.06418	0.3
158.07231	0.7
161.02327	0.3
161.77896	0.1
162.03197	0.2
163.03876	0.3
167.03369	2.2
168.05679	3.6
169.06435	6.0
172.05110	0.3
185.05963	0.9
186.06735	1.9
196.05183	3.0
197.05937	8.3
198.06616	0.3
213.05412	1.9
214.06219	2.8
224.04599	0.7
225.05423	10.1
226.06105	0.9
229.08574	7.5
241.04865	1.1
242.05688	24.4
243.06120	0.3
252.04202	0.2
253.04921	1.5
254.05734	0.3
257.08029	1.3
267.06354	0.2
269.04382	0.9
270.05170	37.8
271.05502	0.7
285.07513	100.0
286.07910	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0827
Annotation	Xanthosine
Peak:m/z	Relative Intensity
50.20699	0.4
50.45425	0.4
55.01583	0.6
55.01817	10.9
57.03377	16.4
59.04918	2.0
60.50927	0.4
61.02847	4.2
64.33102	0.5
69.03350	10.0
71.01266	5.6
73.02828	9.4
85.02827	9.0
85.88116	0.4
87.04375	0.9
89.39674	0.5
92.58756	0.4
97.02825	3.8
103.03878	0.9
106.62273	0.5
110.03488	9.6
110.07095	2.6
115.03892	4.2
128.04434	1.5
133.04938	8.0
134.90532	0.6
135.02930	0.6
136.01401	23.6
153.04056	100.0
154.02452	18.8
167.60939	0.5
187.28600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24487	0.4
55.05467	0.5
55.62761	0.5
56.96500	2.7
57.03369	0.7
61.02854	0.6
67.05428	0.6
67.17025	0.4
69.03349	0.9
69.07001	0.5
70.06509	8.3
71.04906	0.6
72.08076	0.7
72.93687	2.1
79.05402	2.4
81.03326	0.6
84.04421	1.9
84.08034	0.8
85.02834	3.5
86.09619	2.7
89.93859	0.5
90.58236	0.5
90.94759	2.1
91.05396	2.6
95.04883	1.7
97.02834	0.8
98.97493	0.6
101.07034	0.5
105.03305	3.8
106.06499	100.0
108.95795	0.7
113.03425	0.8
116.07063	1.1
116.98535	0.8
118.06491	2.0
119.04886	0.7
124.07542	0.7
128.26448	0.5
129.56664	0.5
134.99637	0.6
147.04405	1.1
159.50627	0.5
160.02489	0.5
165.90419	0.5
167.97173	3.2
172.97699	1.0
211.10793	0.8
219.01758	0.5
266.91992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3103
Annotation	ES-285
Peak:m/z	Relative Intensity
53.00244	0.8
55.05446	0.9
57.06739	0.8
57.07010	20.1
58.06519	3.3
59.95609	0.5
62.06018	7.8
69.06983	1.1
71.08192	0.6
71.08546	12.1
72.08054	3.1
73.17814	0.6
81.39876	0.5
85.10085	0.5
86.05997	1.1
89.70431	0.5
100.07546	1.0
108.86321	0.6
121.10087	0.9
147.11804	0.5
151.48640	0.6
156.17410	5.6
174.18495	14.2
212.23663	1.4
230.24734	9.6
235.62360	0.5
243.05901	0.8
268.26349	4.7
268.30081	1.0
271.05475	2.1
286.07864	6.9
286.30972	100.0
287.31201	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75772	0.5
53.00231	0.9
56.96483	0.5
57.06741	1.3
57.07012	36.3
58.06525	5.2
59.91051	0.6
61.86792	0.6
62.05725	0.7
62.06019	17.2
65.17229	0.5
71.08198	0.8
71.08546	13.6
72.08070	1.2
73.31757	0.6
85.10098	2.7
86.05988	0.8
104.88057	0.7
111.76044	0.7
144.58231	0.6
156.17487	1.2
174.18480	6.0
212.23694	15.7
212.25519	1.1
230.24748	64.2
268.26309	1.6
286.07828	3.8
286.30984	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3101
Annotation	ES-285
Peak:m/z	Relative Intensity
57.07009	30.6
58.06517	3.8
62.05722	1.0
62.06014	21.1
69.06979	1.1
71.08541	11.1
73.87862	0.7
78.82925	0.7
85.10089	6.1
176.51074	0.8
190.16364	0.9
243.05956	1.0
268.29907	9.2
286.07800	6.8
286.30978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3102
Annotation	ES-285
Peak:m/z	Relative Intensity
51.73658	0.4
52.52744	0.4
54.81562	0.6
57.07011	14.5
58.06531	2.6
69.06975	1.0
70.06512	1.0
71.08538	5.7
71.96981	0.5
72.08070	39.4
82.54850	0.6
85.10097	2.5
88.07558	3.5
90.08544	1.0
90.09116	28.5
107.97753	0.6
134.68712	0.5
186.71094	0.6
191.67616	0.5
206.71442	0.5
242.28352	0.7
271.05640	0.9
286.07916	4.2
286.30978	100.0
287.31366	1.1
291.30225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99573	0.7
52.79503	0.6
55.05460	1.0
57.06738	1.2
57.07011	32.3
58.06529	4.8
62.05768	0.9
62.06021	15.5
67.93629	0.8
71.08549	14.0
77.24972	0.9
85.10075	3.3
92.10941	3.4
100.77757	0.9
142.45451	0.9
151.11107	1.0
174.18486	4.7
175.51933	0.9
212.23691	13.6
230.24747	65.6
286.07898	5.2
286.30994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.57413	0.4
53.99227	0.4
67.05424	0.8
68.99715	3.4
69.03329	0.5
76.16720	0.4
76.59861	0.5
79.05400	1.8
80.89020	0.4
83.04875	0.6
84.08066	1.1
84.89505	0.5
91.05425	0.6
95.04908	0.8
105.03337	1.2
107.04887	2.7
108.05817	0.4
109.02847	0.8
111.00764	2.3
111.04385	1.0
121.02816	10.5
121.03704	0.6
129.06917	0.7
133.02811	1.0
137.02319	3.5
142.61397	0.4
147.04420	2.2
153.01814	18.9
157.06461	2.2
165.01787	5.5
171.67621	0.5
183.02864	3.1
185.05934	2.3
213.05431	4.8
216.04216	0.5
231.06526	1.0
241.04929	2.4
258.05234	3.2
269.04422	0.6
270.59955	0.5
280.77063	0.4
287.05466	100.0
288.05829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03872	0.4
54.78084	0.2
55.05451	0.2
65.03856	0.4
67.01778	0.5
68.99714	4.0
69.02130	0.2
70.56919	0.2
79.05410	1.3
79.64468	0.2
81.03338	0.4
91.05376	0.3
95.04898	0.5
98.97552	0.3
105.03342	1.4
105.06981	0.4
107.04903	2.3
108.39133	0.2
109.02817	1.6
111.00751	2.7
111.04437	0.5
112.33857	0.2
113.06738	0.2
117.06953	0.3
121.02831	11.1
121.03745	0.4
129.06897	0.4
133.02864	1.1
135.04436	0.3
137.02319	4.3
141.06973	0.6
144.71873	0.3
145.06480	1.0
147.04387	2.5
151.03937	0.3
153.01805	17.7
157.06444	3.0
160.63579	0.3
161.05891	1.0
165.01801	6.1
167.07088	0.4
171.04369	1.3
183.02859	3.1
185.05927	2.0
197.05907	0.6
213.05423	4.7
215.07129	0.3
229.04895	0.4
231.06517	2.0
241.04900	2.2
258.05228	3.7
259.05960	1.3
269.04327	0.5
287.05453	100.0
288.05887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96067	0.6
55.02933	1.2
55.05441	3.0
56.04961	0.6
56.45401	0.6
56.96493	0.7
57.51804	0.5
60.05584	1.5
67.53230	0.6
69.06998	0.8
69.87338	0.6
70.02863	8.9
70.06510	51.3
72.08069	28.9
79.05408	8.1
79.36149	0.6
82.02863	3.1
82.79494	0.6
92.10287	0.8
95.04885	1.3
96.08054	0.9
97.07592	12.6
98.09632	9.9
99.09135	3.8
106.05828	1.3
106.06499	26.8
109.52387	0.6
109.96557	0.7
112.05033	1.0
112.08683	6.3
114.10255	16.5
120.08060	4.9
123.09171	1.1
124.05053	17.8
124.07558	100.0
140.08128	0.9
140.11751	1.4
141.10187	0.8
148.08618	0.9
153.95566	4.4
166.06094	1.1
166.09744	27.6
184.09706	2.7
208.10774	13.0
226.11836	4.9
243.14481	23.2
287.13528	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18982	0.3
53.00260	1.2
53.03869	0.4
55.05452	15.4
57.07016	3.1
67.05424	0.4
69.06987	100.0
69.88417	0.3
70.00514	0.3
71.04915	2.3
71.08543	0.5
71.49747	0.3
72.08047	0.3
81.06998	0.4
81.22205	0.4
83.08530	4.6
89.05959	0.5
111.11667	45.5
115.99594	0.3
173.31981	0.3
180.03583	0.3
199.16988	2.8
199.18700	0.3
286.30936	3.0
287.31363	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	288.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62292	0.7
55.01802	4.2
55.05442	5.1
57.03376	2.8
58.08892	0.7
62.05999	0.8
65.23958	0.6
67.05417	2.9
68.04929	1.5
69.03008	1.1
69.03349	23.9
69.06984	10.0
71.04897	1.7
72.56509	0.7
72.99800	0.7
73.02822	1.7
73.95317	0.8
74.82942	0.7
79.05399	11.7
81.06963	2.7
83.04894	3.1
85.02822	17.0
86.05987	73.3
87.04390	100.0
91.05387	4.1
93.06972	9.6
95.04933	1.1
95.08533	3.7
97.02831	0.9
97.06448	3.9
98.97527	1.1
99.04365	3.8
101.02306	4.0
102.32662	0.6
104.07038	69.1
105.05489	0.9
105.06936	6.7
107.04886	1.5
107.08544	24.6
109.06439	1.7
111.00770	0.8
111.04382	3.2
121.02815	1.1
121.10095	4.6
122.03142	1.5
123.07967	0.8
125.09604	0.9
127.03844	3.0
131.08522	1.5
134.99590	1.1
139.11160	1.0
145.26385	0.8
149.09558	6.5
153.01784	4.9
154.02159	3.9
165.01761	0.9
167.10625	3.1
175.83395	0.7
214.05792	0.9
224.20416	0.8
242.05238	0.9
270.16833	6.3
288.05777	31.2
288.17908	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	288.2029
Annotation	Leucylarginine
Peak:m/z	Relative Intensity
51.29265	0.6
54.37971	0.5
54.78279	0.5
54.81733	0.7
58.06530	1.6
60.05581	21.3
60.08085	0.8
66.68185	0.6
69.06977	3.7
70.06511	100.0
71.04887	0.9
72.08074	10.1
82.06535	0.7
84.08072	7.0
85.02821	0.8
86.09628	43.0
96.30576	0.7
97.02834	0.7
97.07561	1.5
98.05973	4.7
105.26006	0.6
110.05925	0.9
110.07104	0.9
112.08665	11.5
112.11140	0.9
114.09112	0.7
115.08646	3.2
116.07040	14.7
126.05474	12.1
130.08725	0.7
130.09703	5.6
138.09042	0.7
140.08089	0.6
156.11269	3.3
157.10852	1.0
158.09186	7.6
175.11871	31.9
177.87027	0.7
182.24425	0.6
189.16037	1.4
192.37128	0.7
208.14452	0.7
212.12801	0.9
225.17186	0.8
225.60745	0.7
229.15413	7.5
239.30783	0.7
253.16489	1.4
270.24701	0.6
271.17554	5.2
288.20190	50.0
288.22830	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	288.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31469	1.8
58.06539	9.2
60.05584	4.8
60.08106	20.7
64.95384	1.7
70.06515	23.9
70.06826	2.4
71.04915	2.9
72.08072	100.0
72.15793	1.9
80.52855	2.4
84.08070	67.9
84.08510	2.5
85.06488	2.4
86.02346	2.3
86.09629	12.8
95.50485	2.4
98.09579	2.5
102.82319	2.0
112.07540	3.3
112.11197	4.5
116.07036	4.0
126.05423	2.9
130.08611	15.0
133.99359	2.3
152.43353	2.2
158.09291	2.2
170.08131	3.5
175.11884	8.9
183.14917	9.1
189.15935	20.3
208.55696	2.4
229.15421	83.2
288.20117	14.4
288.22781	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08210	1.1
54.58596	1.1
56.96495	2.2
57.03370	2.3
58.06528	11.8
60.05590	1.7
60.08102	19.1
67.05436	1.8
69.03349	6.4
69.07000	2.0
70.06505	14.8
72.08071	100.0
73.02850	3.2
81.03320	2.2
84.08070	55.1
85.02824	10.0
86.02305	1.4
86.09629	8.7
86.55585	1.4
91.19987	1.1
96.08072	2.8
97.02823	3.4
98.97472	2.5
109.02785	2.9
110.09612	1.7
112.07586	2.5
112.08673	1.6
112.11202	7.6
114.09103	4.7
114.12720	2.1
119.01895	2.4
127.03907	2.3
127.05023	1.5
128.98587	1.7
130.08598	14.8
138.09114	1.5
143.01814	1.4
156.31636	1.3
161.01164	1.7
170.08089	2.5
175.11961	1.9
177.00705	2.7
183.14917	7.1
184.09686	1.9
185.12831	1.9
189.00656	1.4
189.15987	18.9
190.59581	1.3
199.14328	1.9
201.16019	2.5
229.15439	74.6
269.05365	9.1
287.06293	2.2
288.20261	3.6
288.22797	59.4
290.42383	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71902	0.5
53.00236	0.7
54.80782	0.7
55.05423	0.8
56.04972	19.7
57.06743	0.9
57.07014	24.0
58.84249	0.5
69.06976	0.6
71.08546	9.8
71.94046	0.8
74.05990	40.6
78.54539	0.6
80.46655	0.6
85.10108	2.8
88.07554	100.0
89.25167	0.6
92.10216	2.7
102.05460	6.3
102.74748	0.7
107.61023	0.6
116.07069	0.9
118.68889	0.6
120.06531	7.3
127.03873	9.7
242.24742	31.0
257.34171	0.8
270.24237	3.9
288.25281	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06744	0.8
57.07009	18.8
62.05995	0.6
70.06145	1.1
70.06508	24.4
71.08552	6.9
85.10091	3.0
88.07549	32.1
92.10283	0.9
102.09113	5.9
106.08611	20.0
120.69607	0.6
226.25362	0.7
244.26331	1.6
270.27875	8.8
288.28897	100.0
289.29193	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	289.0707
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
55.01814	0.9
65.03870	2.8
67.01784	0.8
68.99713	6.1
69.03339	0.7
69.17822	0.3
71.78500	0.3
79.05431	0.7
81.03320	0.6
81.67879	0.4
84.08083	0.6
91.05410	6.9
93.06976	0.6
95.01282	1.5
95.04893	0.8
97.02831	0.4
97.06493	0.5
107.04905	41.6
109.06471	0.7
111.00786	0.5
111.04449	0.8
115.05413	0.9
117.06982	0.6
119.04886	5.1
119.08596	0.5
121.02813	16.4
127.03866	2.2
128.06192	0.6
129.07004	0.6
130.06447	0.4
130.35753	0.4
131.04916	2.5
131.08540	2.0
135.04393	0.9
141.06978	6.4
145.02805	1.0
145.06509	2.8
147.04390	4.2
147.08022	3.0
149.02321	94.1
150.96123	0.4
153.01808	33.0
153.06958	0.8
156.08070	0.5
157.06384	0.5
159.04379	2.1
159.08032	2.4
162.48024	0.4
165.01865	0.5
167.03346	2.4
169.06445	11.4
169.07748	0.6
169.45609	0.4
173.05945	1.7
181.06517	0.7
185.05917	0.4
187.03900	0.7
187.07448	3.5
195.02853	0.7
197.05963	12.5
198.06616	0.4
200.04657	0.6
213.05495	1.5
215.07007	100.0
225.05450	1.9
235.13210	0.6
242.35634	0.4
243.06483	56.4
250.97943	0.4
253.04861	3.1
271.05957	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	289.0706
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
54.81614	0.7
59.63106	0.7
68.99689	3.1
91.05411	7.0
96.80762	0.9
107.04910	26.5
117.07019	1.1
119.04910	4.9
121.02838	12.2
131.04927	1.0
131.08481	1.0
141.06941	7.3
145.02798	1.3
145.06517	3.8
147.04391	1.7
147.07999	1.2
149.02325	80.4
152.06262	0.9
153.01810	19.7
159.04378	1.5
167.03365	1.0
169.06453	9.7
173.05925	1.7
181.06471	0.9
187.07588	2.0
197.05992	10.0
200.04695	1.2
201.05412	1.2
213.05498	0.9
215.07008	100.0
225.05296	1.1
227.00327	0.9
243.06494	58.6
253.04990	1.6
254.74174	1.0
271.05966	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	289.0915
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03717	0.3
53.03894	5.9
55.01797	0.7
57.03366	0.6
62.73281	0.5
62.97735	0.4
66.91965	0.5
67.01814	0.8
68.64970	0.5
69.03346	3.7
71.04911	4.5
71.56665	0.5
72.91431	0.5
79.95432	0.4
81.03335	39.7
83.01285	0.5
85.02826	9.8
92.10262	1.7
97.02821	10.2
99.04385	10.8
103.03856	7.4
106.17121	0.5
109.02056	1.0
109.02829	48.1
127.03875	100.0
145.04886	0.9
154.82185	0.5
166.34439	0.5
169.04939	8.5
171.39168	0.6
229.07068	2.4
251.54105	0.6
265.74841	0.6
283.48367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0916
Annotation	Dianthoside
Peak:m/z	Relative Intensity
50.51652	0.2
52.92987	0.2
53.03887	0.7
55.01808	0.3
56.41133	0.2
56.96502	0.5
57.03370	0.5
58.61124	0.3
61.02859	1.5
68.23099	0.3
69.03364	2.9
72.08079	0.5
73.02825	0.3
76.43761	0.3
81.03336	1.2
81.23865	0.3
85.02828	6.9
86.09646	0.5
97.02836	2.2
98.97533	0.6
109.02843	1.3
119.01880	1.2
120.08071	1.1
127.03876	100.0
128.04143	0.3
137.02940	0.4
154.84111	0.3
197.92041	0.3
266.08575	0.5
289.12500	18.4
306.43936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03875	0.8
55.01802	0.4
56.96494	0.3
57.03372	0.4
61.02848	1.2
69.03355	2.2
70.75172	0.2
71.04905	0.3
72.08107	0.2
73.02809	0.4
81.03316	1.4
85.02831	5.3
86.09618	0.7
87.04385	0.2
97.02832	2.2
98.97507	0.7
99.04379	0.4
105.23723	0.2
109.02834	1.7
116.98586	0.3
127.03878	100.0
128.04213	0.8
145.04915	0.3
150.99197	0.3
289.12469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17624	0.2
50.74337	0.2
53.03881	0.4
53.74804	0.3
55.01817	0.4
56.96505	0.5
57.03379	0.5
57.10944	0.2
58.65957	0.3
61.02859	0.7
62.51317	0.3
66.55618	0.3
69.03353	2.0
70.06498	0.4
71.04905	0.5
72.08084	0.6
81.03340	2.0
81.57112	0.3
84.66811	0.3
85.02838	6.0
86.09638	1.5
87.04419	0.3
97.02825	2.5
97.84654	0.3
98.97560	0.4
99.04418	0.7
102.88824	0.4
109.02845	1.3
116.98533	0.5
124.07655	0.3
127.03887	100.0
127.87220	0.3
128.04227	0.5
145.04987	0.5
289.12558	20.9
304.76614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1644
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
50.47832	1.3
52.61129	1.1
53.03888	3.0
54.81425	1.4
55.01806	8.5
55.05260	1.0
55.05453	15.2
67.05434	25.6
69.03340	7.4
69.06991	30.2
71.04917	17.0
71.05280	1.9
75.53559	1.1
79.05413	32.4
79.92505	1.2
81.06979	86.9
83.04904	27.5
83.08530	8.4
85.06458	12.8
91.05408	25.1
93.06975	99.5
95.00597	1.5
95.04896	34.2
95.08540	48.2
97.02769	1.4
97.06467	46.9
99.04395	27.8
101.05909	2.1
102.80243	1.3
105.06981	58.0
107.04902	5.7
107.08537	44.0
109.06474	41.2
109.10109	10.1
111.08031	35.7
113.05932	7.7
117.06944	2.4
119.08540	35.2
121.06462	100.0
121.10121	10.6
123.04371	7.3
123.08011	9.3
123.11649	18.4
125.05962	16.7
125.41129	1.3
127.03873	9.1
127.07497	18.8
129.06952	7.6
131.08537	7.7
133.06470	6.2
133.10097	38.1
135.04367	5.3
135.08025	19.0
137.05945	5.7
137.13182	2.1
139.07532	24.8
141.05428	1.9
142.07770	6.7
143.07030	7.8
143.08528	10.9
145.10117	11.6
147.08014	7.7
147.11674	78.2
149.09502	1.9
149.13248	2.3
151.07527	1.4
151.11143	13.0
156.09302	2.8
157.06439	1.5
157.08574	10.5
157.10106	23.3
159.06482	7.8
159.07915	1.9
160.03909	2.0
160.08914	2.1
161.13225	14.8
165.12720	26.8
166.07768	2.4
169.12192	30.1
171.07974	1.7
171.11708	17.8
173.09586	2.7
175.11159	39.6
181.10063	8.2
184.08774	1.6
185.62405	1.5
189.12715	34.2
191.10693	1.7
193.12201	33.3
199.11157	27.9
207.13799	13.8
211.13257	23.4
217.12204	68.8
225.08142	1.6
229.14301	9.5
235.13254	70.6
235.15654	2.5
253.14308	45.4
271.15240	2.3
289.16113	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07013	100.0
62.17677	3.3
71.08538	60.0
72.52601	3.6
85.10083	19.4
89.05952	30.0
107.07014	30.7
127.03891	28.2
145.97554	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	290.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	0.5
53.35826	0.3
55.01814	0.5
55.05447	0.8
56.04968	0.4
57.07016	17.5
58.06527	0.8
63.59338	0.4
67.05429	0.5
69.06992	0.6
70.06514	29.9
71.08546	2.6
74.05983	0.5
84.04400	0.4
84.08070	3.6
85.10089	2.6
85.18927	0.4
86.09616	0.7
86.29983	0.4
88.07558	32.2
91.05386	0.6
92.10281	0.5
102.09101	2.6
106.08593	4.6
109.02797	0.7
109.06464	0.5
110.03160	0.7
114.09126	10.1
118.08575	4.6
119.08517	0.5
127.03889	3.0
127.30343	0.4
128.04207	2.8
130.08583	0.6
132.10179	36.8
135.07945	0.5
148.09554	0.4
150.11241	29.9
154.15741	0.4
204.30923	0.5
214.21698	2.6
228.23201	2.6
232.20502	0.5
246.24214	10.0
290.26859	100.0
291.27286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96868	0.6
57.06738	0.9
57.07011	19.6
58.06519	4.8
63.68418	0.6
64.33132	0.8
70.06509	36.2
71.08533	3.7
73.05088	0.7
80.75377	0.7
88.07554	43.1
92.10844	0.8
102.09120	27.9
132.10097	0.9
146.11746	0.9
228.23187	79.4
229.23326	0.8
234.30490	0.8
272.25848	6.0
281.95856	0.8
290.26843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08778	0.7
56.04723	1.4
56.04971	24.1
57.07009	22.9
57.97754	0.7
58.06530	11.3
60.04438	3.5
68.04915	1.5
69.06971	0.9
71.08535	8.7
74.05602	1.1
74.05988	20.3
85.10076	4.3
86.05994	1.5
88.07549	94.5
109.58806	0.9
118.08595	14.0
122.08109	8.5
160.93773	0.9
186.97231	1.2
201.19824	1.0
211.42393	1.1
226.11237	1.2
242.24727	73.9
272.25735	3.5
290.26810	100.0
291.27023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02917	16.8
56.96489	86.9
59.82219	19.4
70.06498	100.0
71.82764	18.3
72.08064	23.6
89.88438	19.9
103.09956	20.3
111.99210	23.2
116.07001	28.1
116.98634	26.7
119.13311	20.2
143.00159	28.4
161.01186	36.4
245.01942	36.5
283.77130	24.4
291.08417	36.3
306.20612	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	291.086
Annotation	(2R,3R)-3,5,7,3',5'-Pentahydroxyflavan
Peak:m/z	Relative Intensity
53.00229	0.5
53.02565	0.4
53.03878	0.7
53.77373	0.4
55.01814	4.0
55.05437	2.5
56.96485	0.5
57.03373	0.6
65.03852	0.7
67.05431	6.4
68.99698	2.9
69.03339	1.2
69.06985	4.2
70.06501	1.1
71.04899	2.0
74.02338	1.1
77.15974	0.5
79.05405	3.7
81.03305	1.0
81.06999	3.8
83.04900	5.4
83.08544	0.9
84.04441	1.1
84.08060	0.9
85.02814	0.8
88.03902	3.0
91.05392	7.6
93.03313	2.2
93.06985	3.9
95.04897	5.3
95.08513	2.4
97.06453	2.0
100.47410	0.5
101.05952	0.6
105.03330	0.8
105.06971	3.8
107.04899	3.1
107.08528	1.1
109.06442	1.2
109.10087	2.0
111.04372	5.4
111.99963	0.6
115.05390	1.2
116.03406	0.8
118.06478	2.4
119.04893	9.0
119.08527	2.2
121.02837	0.5
121.06448	0.9
121.12724	0.5
123.04374	66.1
123.08002	0.8
125.05979	0.6
127.03918	1.2
130.06485	75.5
131.04904	0.6
131.08514	1.0
132.08037	0.9
133.06424	2.4
133.10054	0.9
134.04457	3.8
136.07594	0.6
137.02307	1.1
137.05972	0.9
139.03870	100.0
142.03247	0.5
143.04904	3.3
146.05939	4.9
147.04379	23.0
151.03831	1.6
151.07553	0.6
153.05412	0.6
159.11597	1.0
159.68515	0.5
161.05931	12.5
163.03899	0.6
165.05429	6.2
169.04907	0.8
169.08560	0.8
173.13348	0.5
175.53137	0.5
177.05478	1.0
179.06955	4.5
181.04974	0.8
184.25569	0.4
188.07016	2.2
189.05423	2.5
207.06493	5.6
237.14671	1.0
243.67682	0.5
291.08508	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	291.0975
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
51.23726	0.7
53.26277	0.7
54.81402	0.8
55.05440	0.6
59.36677	0.6
68.99706	0.7
78.77873	0.6
83.04295	0.8
87.00756	1.5
88.03927	1.2
97.06554	0.7
102.03719	0.8
115.05408	8.3
117.05720	1.4
118.06488	17.7
129.06944	0.9
130.06496	95.9
131.06906	1.0
132.08063	53.6
142.06509	13.6
143.07274	0.9
144.04448	0.7
144.08084	6.6
146.06000	23.3
150.57933	0.7
154.06581	1.0
156.08022	5.7
157.07581	8.2
158.06010	1.7
158.08371	6.7
159.09149	100.0
159.58870	0.8
160.07564	9.2
167.06018	1.1
169.07619	4.0
170.04568	1.5
170.05980	34.4
170.07433	1.3
171.09123	1.0
172.07608	1.2
174.03870	0.7
181.07594	1.4
182.06000	3.1
183.09146	5.2
184.07570	14.3
185.07062	49.7
186.07404	0.7
187.08713	1.4
188.07019	22.9
199.08740	2.5
200.07043	8.7
201.10156	6.9
209.07027	1.4
227.08110	26.2
242.20149	0.8
245.09163	37.6
246.43831	0.8
255.07671	1.1
268.14081	0.8
273.08704	7.7
291.09662	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04324	0.3
54.83855	0.3
55.01804	0.3
55.05449	1.1
56.96505	0.3
57.03377	0.6
58.06520	0.2
59.18089	0.3
61.01081	20.7
66.18171	0.2
67.05438	1.1
69.06988	1.2
70.06504	3.8
74.94212	0.3
79.05402	0.7
80.91569	0.3
81.06973	2.4
83.24557	0.3
84.04389	0.9
84.08070	100.0
86.09625	1.2
88.74492	0.3
91.05393	0.5
93.06997	0.5
95.04926	0.3
95.08537	0.6
99.08018	0.7
105.64703	0.3
107.08527	0.4
108.40632	0.3
110.07107	1.8
112.08711	0.4
119.08530	0.4
132.08401	68.0
133.10167	0.4
135.08052	0.3
159.11636	0.4
180.11110	0.3
181.03737	0.3
198.11304	0.5
215.13789	1.3
232.76137	0.3
237.14742	0.5
291.17297	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01814	29.9
55.05445	18.0
55.70765	2.5
57.03377	36.8
65.03864	3.8
67.05432	36.3
67.88551	3.2
69.06977	6.3
76.63531	2.9
79.05407	92.7
81.06971	31.8
83.08516	3.8
91.05398	62.7
93.06979	52.6
95.04882	20.5
95.08512	20.1
98.66428	3.3
105.06979	36.5
107.04898	15.8
107.08543	50.1
109.06461	87.2
109.10078	4.0
111.20989	2.8
115.05413	3.2
116.06116	3.5
117.06950	22.4
119.08469	6.2
119.73574	3.0
121.10074	13.5
129.06958	13.5
131.08522	20.9
133.06461	4.7
133.10068	6.1
135.07050	5.9
135.08018	100.0
135.11678	4.1
143.08556	8.0
145.10095	5.1
147.11655	3.6
149.09627	7.6
149.13240	3.2
157.10143	3.9
161.09584	14.0
186.88876	3.5
217.15811	12.4
273.18408	22.6
291.19537	43.5
291.22693	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.19260	2.4
55.01809	45.8
55.05445	16.0
57.03367	30.3
65.03828	3.6
67.05415	16.8
69.06967	4.8
79.05409	61.6
81.06967	18.4
84.58173	3.1
91.05406	46.4
92.08373	3.5
93.06960	21.4
95.04861	12.4
95.08524	7.3
105.06969	23.3
107.04895	15.4
107.08531	43.8
109.06464	58.8
115.05417	5.1
117.06945	12.8
119.08539	6.8
121.10098	4.3
128.06195	4.1
129.06953	15.3
131.08530	22.6
133.10104	4.3
135.08017	100.0
143.08505	4.6
145.10054	4.1
157.10060	3.5
161.09564	6.7
206.87784	3.4
217.15840	7.7
273.18655	5.6
291.19479	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03881	1.7
55.01809	1.6
55.05458	16.8
57.03367	2.0
57.07000	4.6
59.04924	2.2
63.19580	0.8
67.05437	10.0
69.03336	4.7
69.06986	3.8
70.06521	1.1
71.04900	8.1
72.11462	1.0
79.05412	24.4
81.06972	13.9
82.07300	0.8
83.04890	4.1
83.08542	13.2
84.25225	0.9
85.02831	2.3
85.06471	2.3
91.05414	13.5
93.06976	17.6
95.04906	9.5
95.08535	30.9
97.06458	8.8
105.06973	21.5
107.04903	35.4
107.08545	15.6
109.06470	12.9
109.10098	3.9
111.08032	37.4
113.09595	1.9
117.06945	4.4
119.08540	15.9
121.06456	4.7
121.10092	10.7
122.07218	2.0
123.08024	50.7
123.11630	1.1
125.09596	3.5
128.06157	1.4
129.06937	3.8
131.08548	9.1
133.06427	4.2
133.10109	13.2
135.08012	8.1
137.09563	1.0
142.07805	2.3
143.08490	4.0
145.10092	9.0
147.08017	4.5
147.11685	9.8
149.09613	10.9
149.13252	1.5
151.07526	100.0
155.10590	1.3
156.09216	1.5
157.10107	8.1
158.10875	1.4
159.08052	1.1
159.11685	1.4
161.09561	1.7
163.11189	2.0
169.10048	1.2
171.11636	6.6
172.12459	1.0
173.13197	8.1
174.10376	2.0
174.50583	1.1
175.11159	8.0
179.10637	2.0
187.98575	1.1
189.12694	19.6
191.12691	1.5
191.14282	27.1
192.11407	4.4
197.11705	6.0
197.13284	2.0
207.13774	46.6
211.13184	2.1
213.16313	1.3
215.14355	3.4
217.12160	1.3
228.23230	1.3
233.15326	47.7
250.17683	1.5
255.17302	2.1
265.72586	1.0
273.18472	6.9
291.19492	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.72478	3.1
53.03897	3.1
53.16211	2.4
54.81672	2.7
55.01819	36.2
55.05452	49.9
57.03372	44.1
58.46122	2.9
60.60454	2.7
62.89456	2.8
67.05429	49.4
69.03346	6.7
69.06988	18.0
70.06518	3.4
71.04913	4.1
72.30229	2.6
79.05407	100.0
81.03339	14.9
81.06979	64.4
83.08537	12.9
85.02771	3.0
85.06454	6.6
91.05402	79.0
93.06979	55.1
94.75581	2.9
95.04881	14.2
95.08544	25.5
97.10108	3.0
105.06973	66.2
107.04902	33.3
107.08533	45.6
108.20409	3.3
109.06473	98.1
109.10108	3.7
115.05362	6.7
117.06946	41.1
119.08524	34.7
119.58914	3.9
121.06438	19.0
121.10105	14.4
123.07996	11.4
128.06221	4.3
129.06970	24.0
130.06351	4.0
131.08539	49.5
133.06459	15.1
133.10129	16.8
135.08012	92.3
143.08531	14.9
145.10089	23.2
147.08037	18.9
147.11708	4.6
149.09595	21.8
157.10101	6.5
159.11699	4.6
161.09578	20.5
171.11606	5.2
174.08028	3.2
217.15817	20.7
219.13815	4.4
232.52980	3.1
255.17162	4.9
273.18353	26.1
283.06055	3.2
291.19510	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	2.7
54.81932	3.7
55.05458	25.4
57.07008	4.5
67.05430	33.4
69.06978	11.4
79.05410	83.5
81.06982	39.8
84.86918	3.0
87.83482	2.9
91.05428	27.1
93.06972	100.0
93.07519	5.7
95.04865	5.5
95.08537	28.6
105.06985	20.2
107.08535	49.0
109.10105	5.4
117.83759	3.0
119.08540	6.5
121.10098	25.6
131.08534	3.9
133.10097	6.9
135.11653	26.4
149.13263	15.5
249.18700	3.7
255.72032	3.5
291.23212	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	291.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81798	4.5
55.01808	19.5
55.05443	33.2
57.03371	27.3
64.39883	3.5
67.05438	34.7
69.06979	19.4
70.84096	4.0
76.56577	3.6
77.02724	3.5
79.05412	100.0
81.06985	43.8
83.08527	4.6
85.06439	3.5
91.05407	49.9
93.06969	81.7
95.04906	9.3
95.08535	32.5
101.41296	4.2
103.75637	3.7
105.06966	21.9
107.08540	46.9
109.06477	43.2
109.10095	7.1
116.06218	3.9
117.06987	7.2
119.08585	7.9
121.10093	32.9
129.06964	7.5
130.90848	4.1
131.08514	9.3
135.08008	47.3
135.11690	17.7
139.96501	3.9
145.10100	7.3
147.41704	4.3
149.13274	5.7
207.82097	4.1
217.15776	5.5
269.61649	4.0
291.19528	29.1
291.23047	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	291.2679
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.00254	2.0
53.03875	3.0
55.01794	2.4
55.05449	32.3
57.03349	1.7
57.07009	11.4
62.50684	1.4
64.33373	1.5
67.05079	1.8
67.05428	41.6
69.03319	2.0
69.06989	49.6
79.05407	35.0
81.03321	7.6
81.06973	100.0
83.08546	13.8
85.06473	15.0
91.05399	18.7
93.06966	64.4
95.04874	7.0
95.08532	84.8
97.10078	7.5
99.07988	7.4
105.03316	2.4
105.06972	18.0
107.08536	72.9
109.02859	1.8
109.06441	3.7
109.09390	2.8
109.10101	54.2
111.08026	1.9
111.11678	2.5
113.09550	3.6
119.08519	11.2
121.06413	3.7
121.10094	51.7
123.08054	2.0
123.11649	23.3
125.09527	1.9
127.03861	5.8
127.38009	1.5
129.06926	2.1
131.08440	2.1
133.10123	11.8
135.07993	3.9
135.11661	25.5
137.13222	2.9
147.11607	5.6
149.13219	26.8
154.83362	1.6
161.13235	6.3
163.14783	24.0
177.16307	9.5
189.73759	1.8
191.17961	3.7
207.42026	1.7
217.19507	2.7
221.19089	1.6
273.25748	6.9
291.19739	4.4
291.26730	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	292.129
Annotation	H-TRP-SER-OH
Peak:m/z	Relative Intensity
52.92549	0.6
54.06038	0.6
56.36251	0.6
56.96499	0.8
59.91857	0.6
60.04454	39.2
70.02861	1.6
70.06506	1.7
84.04424	1.0
84.08057	1.7
85.02811	0.9
85.03934	5.9
87.05483	0.7
91.12735	0.9
95.08464	1.0
105.06522	0.8
110.07073	0.9
115.04964	6.6
116.98484	0.8
117.06990	1.2
118.06475	15.5
120.38562	0.7
124.87903	0.7
126.05443	1.6
130.06500	13.4
132.08047	16.7
142.06461	1.4
144.08058	18.7
146.05984	75.7
146.33801	1.0
147.06367	1.2
148.80992	0.7
150.54225	0.8
154.12228	1.2
158.08368	1.7
159.09126	15.0
160.07599	1.0
170.06004	7.7
183.09117	1.2
187.08647	1.6
188.07025	100.0
189.07268	1.3
205.07893	1.2
205.09695	25.9
246.12257	4.3
271.84296	0.8
292.12866	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	293.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09607	1.2
56.96485	1.6
77.00848	2.9
83.83710	1.9
84.08084	2.2
101.00816	9.2
110.07092	4.1
117.03940	2.3
119.01883	100.0
120.01949	3.9
121.03471	1.7
135.05016	8.4
137.02933	58.1
142.03423	2.5
143.01877	4.1
145.03432	27.0
159.04979	18.3
161.02942	27.2
163.04445	15.4
177.02390	3.0
177.06096	13.9
179.04082	3.4
187.04459	3.0
189.02425	2.8
191.00330	1.9
203.03972	3.8
205.05536	6.7
207.03516	3.6
213.02422	3.2
231.03488	9.6
274.04044	1.7
275.02231	16.3
293.03415	18.7
301.88696	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2104
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.54175	1.4
53.03874	8.9
55.01814	2.0
55.05447	18.6
57.03368	37.4
57.78642	1.4
67.05424	41.6
69.06983	15.5
71.04904	3.6
79.05403	83.8
79.05862	3.5
81.06969	49.4
83.04891	2.6
83.08523	9.1
85.06445	10.3
91.05399	69.6
92.10899	7.0
93.06965	100.0
95.04881	18.3
95.08523	34.6
97.06432	3.0
103.05434	2.1
105.04444	2.0
105.06969	69.3
107.04967	1.7
107.08530	41.5
109.06460	13.9
109.10081	9.4
115.05404	1.7
117.06959	21.1
119.01722	1.4
119.08534	60.0
121.06452	2.4
121.10084	12.6
123.08015	3.6
123.11639	1.6
129.06982	15.5
131.08530	24.6
133.10077	25.7
135.07982	1.9
135.11627	3.6
142.07768	2.4
143.08563	12.8
145.10091	16.8
147.11655	16.4
149.09602	3.3
157.10100	11.1
159.11656	15.4
161.09579	3.0
161.13213	13.0
163.11125	2.4
173.13216	5.8
175.14729	3.3
185.13193	25.6
197.13266	1.9
201.16373	3.0
203.14259	16.4
219.17416	15.4
221.15317	21.8
239.17862	3.8
257.18869	13.7
275.19980	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03885	37.9
55.01804	11.8
55.05455	51.1
57.03359	10.6
57.07018	6.2
65.03871	6.1
67.05433	91.6
69.06991	81.2
76.55658	5.9
79.05402	86.8
81.03337	84.8
81.06975	98.5
83.04913	13.6
83.08555	8.5
85.06452	10.5
91.05397	78.9
93.06959	100.0
95.01233	7.4
95.04922	41.6
95.08547	66.6
97.06449	7.6
105.06970	98.0
107.04905	37.0
107.08527	75.8
109.06447	11.4
109.10100	7.1
117.06975	31.1
119.08512	44.9
121.10088	13.6
123.08004	11.5
126.17198	6.1
129.06987	7.2
131.08533	26.5
133.10081	22.5
135.11671	10.5
137.09650	6.0
139.24872	5.3
143.08537	11.0
143.36128	6.3
143.80411	5.5
145.06467	8.9
145.10092	12.8
147.11638	24.4
149.09634	11.1
149.13179	8.3
149.45552	5.0
150.43950	6.9
151.11185	5.5
157.10237	8.1
159.11678	7.8
160.40314	5.8
160.48640	6.1
163.11131	11.0
177.12808	6.0
179.14272	8.5
185.13208	5.6
275.19980	68.6
293.21033	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.87852	2.2
51.71303	2.0
52.26218	1.8
53.03880	4.4
55.05445	22.7
55.55489	1.9
57.03373	28.3
67.05134	2.0
67.05430	39.3
69.03333	4.1
69.06979	12.3
71.04887	3.1
79.05406	77.7
81.06972	49.7
83.08528	10.2
85.06459	14.2
91.05408	66.0
93.06973	100.0
95.04889	10.5
95.08544	29.4
97.06484	3.2
105.06974	68.3
107.08530	47.6
109.06437	9.2
109.10083	3.8
117.06962	16.1
119.08530	45.8
121.06419	2.2
121.10063	17.7
123.08045	3.0
129.06937	14.7
131.08540	27.7
132.38330	2.4
133.10074	27.6
135.11659	3.6
139.99756	2.7
143.08516	14.1
145.10104	22.6
147.11676	20.0
149.09636	3.6
157.10118	2.7
159.11653	16.6
161.13245	11.8
163.11125	4.7
169.10211	2.4
173.13174	10.9
175.40564	2.0
183.11591	2.8
185.13223	28.1
195.25377	2.4
201.16406	2.9
203.14284	23.7
219.17407	8.1
221.15352	21.8
236.18820	2.7
239.17914	8.2
257.18948	14.6
273.93146	2.6
275.20013	70.3
293.20981	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03886	3.6
55.01819	1.7
55.05214	1.4
55.05450	17.7
57.03378	39.3
67.05432	37.2
69.06987	14.7
71.04908	2.0
71.49955	0.9
78.53717	0.8
79.05413	79.0
81.06506	1.7
81.06980	42.2
83.04885	1.7
83.08531	5.5
85.06471	9.3
91.05409	68.2
92.05774	1.2
93.06976	100.0
95.04899	18.7
95.08542	25.2
97.06464	5.0
97.10095	1.1
99.08026	1.0
105.04485	2.0
105.06982	62.7
107.07872	1.6
107.08547	34.6
109.06465	11.5
109.10116	6.7
111.08027	1.6
117.06978	19.8
119.08541	42.7
121.06449	1.7
121.10114	12.5
123.08013	4.3
128.06245	1.8
129.06947	11.8
131.08542	26.4
133.10115	23.5
135.08025	5.0
135.11641	4.4
137.09647	1.0
143.08559	12.6
145.10097	15.5
147.08055	1.7
147.11665	17.3
149.09587	3.9
155.08553	2.1
157.10205	8.1
159.11665	16.4
159.63379	0.9
161.09586	1.6
161.13264	10.8
163.11137	1.9
169.10103	1.5
171.11684	1.9
173.13191	4.3
175.11174	1.5
175.14792	3.9
183.11649	3.5
185.13228	23.2
197.13200	2.0
201.16325	4.4
203.14337	13.2
212.81808	1.0
219.17432	11.8
221.15341	18.4
229.19556	1.3
239.17961	5.8
257.18915	9.7
275.20035	47.3
279.99734	0.9
293.21219	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03873	2.8
55.01807	3.2
55.05223	1.3
55.05451	22.2
56.96494	2.0
57.03104	1.8
57.03369	46.3
57.07000	10.1
59.04920	2.4
67.05423	40.0
69.06991	14.3
71.18966	1.6
79.05400	46.2
81.03353	2.4
81.06972	55.3
83.04883	3.6
83.08501	6.3
85.06441	11.2
91.05399	59.5
93.06969	53.1
95.04870	8.1
95.08038	1.8
95.08535	27.9
97.06451	3.3
99.04392	6.9
103.48834	1.5
105.06964	46.6
107.04895	7.5
107.08523	23.0
109.06454	20.4
109.10085	8.8
111.07962	1.5
115.05358	2.1
116.98522	2.8
117.06959	17.5
119.08537	31.6
121.06420	3.1
121.10098	15.4
123.08005	3.3
128.06171	1.9
129.06937	6.7
131.08524	23.2
133.10049	13.9
135.11652	6.1
137.09619	3.4
143.08528	1.8
145.10135	13.5
147.11674	3.1
149.09540	3.6
153.05415	1.9
159.11671	2.7
160.26135	1.6
161.13266	1.9
182.27690	1.6
185.13280	2.7
201.16385	2.1
219.17395	100.0
229.43288	1.7
275.19968	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	293.2471
Annotation	Methyl linolenate
Peak:m/z	Relative Intensity
55.05442	13.7
57.07009	9.2
58.38956	1.9
62.40245	1.8
67.05080	3.7
67.05428	100.0
69.06973	12.8
76.88559	2.2
79.05036	1.7
79.05418	22.5
81.06978	85.3
85.06508	2.3
89.33810	1.7
91.05399	4.6
93.06958	18.4
95.04901	3.9
95.07963	3.5
95.08533	71.4
99.08776	2.2
99.35633	2.0
107.08542	11.6
109.10106	19.2
119.08526	2.4
121.10086	9.6
123.11676	4.9
131.08505	4.8
133.10121	2.9
135.11658	2.7
137.13235	3.8
149.13283	2.8
159.11636	4.1
163.11134	2.9
186.88765	2.1
243.20866	2.9
293.24661	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	294.206
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
57.06996	1.3
64.84603	0.3
71.08556	1.1
72.29984	0.2
79.05384	0.5
81.06965	0.5
85.52765	0.2
91.05392	0.5
92.10299	0.3
92.62061	0.2
94.04109	3.5
94.83275	0.2
95.04922	0.3
104.78329	0.3
107.04906	0.2
111.20089	0.2
112.74297	0.2
122.03598	10.7
122.04482	0.3
137.05948	100.0
138.06287	2.2
141.12737	1.1
158.15393	1.1
243.47414	0.3
258.86789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2062
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
52.24381	0.2
53.03898	0.2
55.05465	0.2
57.07008	0.7
58.02887	0.2
58.44724	0.1
59.00461	0.1
65.03827	0.1
65.25875	0.1
65.40126	0.1
67.05420	0.9
71.08554	0.3
79.05398	0.9
81.06973	2.3
91.05398	0.9
94.04118	3.0
105.74385	0.2
107.04924	0.3
109.06477	0.2
122.03600	9.2
122.04498	0.3
123.11653	1.1
137.05957	100.0
138.06247	1.4
158.15356	1.3
170.15376	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03863	1.5
55.01813	1.8
55.05192	2.5
55.05450	78.6
57.07011	17.7
58.02893	100.0
60.55620	1.1
67.05428	29.6
69.06982	66.5
71.08533	7.6
73.31324	1.3
74.06008	1.5
75.45146	1.2
78.63857	1.2
79.05392	9.3
81.06968	36.6
83.08533	29.2
85.10086	2.1
86.05979	3.3
88.02122	2.1
91.05383	6.3
91.05930	1.3
93.06965	8.6
95.08526	35.5
97.06426	2.1
97.10091	14.2
98.09631	1.7
99.02663	1.3
100.07543	12.6
105.06983	5.2
107.08521	7.8
109.10099	13.0
114.09109	11.3
119.08508	3.2
120.08054	3.1
121.10131	2.6
123.07916	1.8
123.11657	3.4
128.10651	7.9
128.44386	1.4
133.10120	2.9
135.11629	1.6
137.05995	1.7
142.12263	2.9
147.11662	2.2
149.13168	1.4
156.13803	2.1
161.13174	1.4
170.15361	2.1
184.16855	1.7
187.69489	1.2
193.57893	1.4
212.20154	2.5
245.22504	2.0
263.23709	2.3
294.27777	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	294.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05222	5.0
55.05457	78.7
56.72499	4.1
57.07001	20.7
58.02893	100.0
67.05444	32.9
69.06992	57.3
72.46153	4.5
75.33802	3.8
79.05419	5.4
81.06989	44.4
83.08524	36.3
84.04421	8.4
86.89542	4.2
93.06963	5.7
95.08552	33.8
97.10106	17.8
100.07491	6.0
101.53394	4.5
105.06978	7.4
109.10116	7.8
114.09113	7.9
119.08479	4.7
120.08048	19.6
121.34906	5.5
132.65399	5.2
137.05914	4.4
155.34392	5.5
229.24939	5.4
294.18362	5.6
294.27820	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	295.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38274	0.5
51.87077	0.5
52.84619	0.5
53.47599	0.5
54.81699	0.8
55.01796	0.6
55.34357	0.5
56.04951	2.5
66.53886	0.6
69.03334	1.4
70.02863	5.6
70.06491	2.9
71.86450	0.5
74.02340	3.4
77.03831	0.7
78.97572	0.6
79.05405	1.3
83.38039	0.6
84.04424	40.2
84.08068	0.7
85.02818	1.3
87.00755	1.5
88.03913	36.3
88.60210	0.6
91.05396	2.8
94.06487	32.2
95.04873	0.8
97.02811	0.7
98.02342	1.1
98.97478	0.7
99.00719	4.8
102.05474	0.7
103.05399	9.2
103.06011	0.9
104.03411	9.6
104.04904	3.1
107.04887	3.0
116.03386	2.1
118.06469	2.7
120.04404	13.4
120.08052	97.9
127.03818	0.9
127.35878	0.6
128.29875	0.6
130.04964	4.3
131.04874	4.6
132.04442	9.1
133.17316	0.6
136.07536	0.9
139.36783	0.6
146.05983	100.0
149.05916	1.2
150.05489	3.5
156.02911	2.3
166.08597	22.2
174.03937	7.1
174.05453	27.6
185.02841	1.1
186.09106	8.3
192.06523	4.2
192.09174	0.6
202.03427	4.3
232.09637	3.2
277.08212	1.2
278.10138	2.4
295.09424	1.0
295.12778	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.102
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03885	2.7
54.47909	0.6
55.01589	0.8
55.01816	17.8
57.03102	1.2
57.03374	30.9
59.04917	3.9
61.02857	14.1
61.33265	0.7
64.33218	0.7
69.03351	40.9
71.01273	8.1
71.04897	2.7
73.02429	1.5
73.02828	36.3
81.03340	8.2
83.51883	0.9
84.04424	4.4
85.02829	100.0
87.04397	6.1
91.03880	1.5
92.10969	1.8
92.63728	0.7
95.04900	1.0
97.02824	35.7
98.04168	0.6
99.04382	4.9
103.03883	5.1
109.02840	7.1
110.21320	0.7
115.03873	12.9
120.08054	9.5
122.35802	0.8
127.03871	12.9
133.04922	15.2
145.04951	8.6
145.06042	1.0
149.05948	0.7
163.05969	1.5
166.08629	1.5
166.35416	0.9
180.77599	0.7
189.32304	0.8
200.67783	0.7
259.08054	0.9
274.23907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1285
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
50.97198	0.1
54.81318	0.1
56.04974	2.1
57.28633	0.1
63.53912	0.1
70.01682	0.1
72.85526	0.1
79.05411	1.2
84.04424	41.6
85.02832	0.2
91.05380	1.1
93.06958	1.3
102.05450	1.0
103.05401	10.3
107.04898	3.5
120.08054	100.0
129.52313	0.1
130.04962	3.5
130.06445	0.4
130.64894	0.1
131.04880	4.2
138.19334	0.1
146.05983	0.2
149.05965	1.5
158.09673	0.2
166.08595	18.3
168.08089	0.2
170.27533	0.1
184.07539	0.3
186.09097	8.5
204.10101	0.1
232.09628	3.6
278.10129	2.4
295.12817	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32435	0.9
53.97973	1.1
55.05444	1.2
56.04973	1.3
57.03370	1.2
64.43060	1.0
67.05408	1.3
69.03326	2.7
71.70632	1.2
79.05405	1.9
81.06966	1.5
84.04421	40.4
85.02812	2.0
91.05413	1.8
103.05380	9.4
107.04904	2.4
120.08053	100.0
123.25382	1.1
124.23130	1.1
128.47752	1.3
130.04976	5.0
131.04921	2.4
145.18109	1.1
146.06125	1.4
147.08063	1.1
150.16023	1.2
166.08604	15.8
186.09128	6.3
202.62434	1.2
214.93724	1.2
232.09647	2.7
277.13986	14.0
278.10104	2.3
295.15125	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.165
Annotation	H-Ile-Tyr-OH
Peak:m/z	Relative Intensity
55.01801	0.7
56.04966	1.3
57.03323	0.4
58.06524	0.6
63.18558	0.4
69.06986	15.9
70.06503	0.6
79.05373	0.5
83.44344	0.5
84.04425	32.2
84.08018	0.6
85.02807	0.7
86.09624	100.0
87.85356	0.5
91.05380	1.2
91.06760	0.5
93.06921	0.7
94.22695	0.6
102.05474	3.9
103.05389	6.2
107.04887	1.1
119.04918	2.3
120.08054	67.4
121.08376	1.2
123.04386	2.2
126.05470	0.6
127.04993	0.6
130.04962	2.4
130.06491	0.7
131.04887	0.8
136.07535	7.5
147.04422	0.6
163.19673	0.6
165.05441	3.7
166.08586	11.4
182.08113	4.0
186.09042	3.6
191.04903	0.7
211.62563	0.5
231.11235	3.4
232.09741	1.0
277.11786	3.8
291.45517	0.6
295.13089	0.9
295.16483	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	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
54.60423	5.1
55.01797	5.9
55.05441	27.7
57.07007	7.7
63.86112	4.5
67.05433	73.6
69.06978	30.2
69.65824	5.7
71.08538	67.0
79.05402	73.4
81.03353	7.8
81.06970	69.0
83.04902	27.0
83.08535	7.9
84.04420	6.5
87.49095	5.0
91.05401	51.5
93.06969	100.0
95.04893	23.5
95.08532	49.5
97.06435	11.8
97.10127	6.9
99.08023	27.5
99.25664	5.4
105.06953	25.6
107.04863	7.2
107.08522	29.6
109.10134	19.0
115.51176	5.3
119.08528	22.1
120.08049	30.2
121.10098	23.7
133.10072	9.9
135.11650	20.9
146.31197	6.3
146.64568	5.5
149.13232	6.8
151.11136	12.3
161.13304	10.3
161.64812	5.3
163.11179	8.5
166.08493	7.1
173.13159	5.8
179.14235	63.9
225.97649	5.9
243.44125	5.2
277.21439	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	295.2267
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03889	16.5
55.01813	7.9
55.05455	37.6
57.07005	7.8
57.49462	3.4
67.05425	61.7
69.03363	4.4
69.06993	50.8
74.68783	3.5
79.05408	50.5
81.03334	100.0
81.06960	54.0
83.04900	17.0
83.08548	8.8
84.04449	16.2
91.05404	25.6
93.06969	40.7
95.04894	45.3
95.08534	23.3
96.59749	3.3
97.10093	5.4
105.07010	28.8
107.08540	19.7
109.06457	7.8
109.10104	15.5
119.08502	5.1
120.08076	26.8
123.11648	4.2
131.08585	5.5
133.10110	18.7
147.11656	5.7
151.11179	33.8
154.23009	4.1
161.13237	4.8
165.12750	7.8
178.58055	3.7
233.88124	3.8
259.20563	4.1
277.21591	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	6.7
55.01794	9.7
55.05444	26.5
57.07012	9.2
63.29576	5.9
64.73531	3.9
67.05419	30.3
69.03326	4.3
69.06989	34.5
79.05405	29.0
81.03347	51.0
81.06987	43.8
83.04883	9.0
84.04414	44.1
91.05384	20.7
92.10233	8.7
93.06973	28.4
93.99609	4.8
95.04903	34.0
95.08516	7.7
103.05411	19.5
105.06975	10.1
107.08531	10.1
120.08067	100.0
125.56345	5.0
131.04973	5.3
131.25568	4.5
133.10023	7.7
149.02303	11.3
151.11191	8.3
165.12651	7.4
166.08627	21.0
186.09140	6.4
257.18594	5.0
277.21533	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03868	4.8
55.01793	4.3
55.05451	28.1
56.04958	4.1
57.07020	8.9
57.97589	3.6
63.53807	3.3
67.05431	47.2
69.06979	19.0
69.86935	3.5
71.08552	35.8
77.96366	3.6
79.05399	38.6
81.03329	6.7
81.06954	35.6
83.04890	9.0
83.08530	8.4
84.04420	41.6
85.02844	3.8
91.05413	32.1
93.06966	41.5
95.04890	4.6
95.08515	26.3
97.06480	4.9
99.08015	14.1
103.05407	5.7
105.06963	22.9
107.04874	5.6
107.08520	15.5
109.10129	14.4
119.08534	17.4
120.08047	100.0
121.10046	5.7
130.04939	5.8
135.11679	5.8
137.05980	5.9
143.20061	3.8
145.10153	3.9
147.11722	5.7
151.11185	17.8
161.13240	4.7
163.11131	5.7
166.08606	20.5
186.09024	5.5
203.44585	4.8
277.21567	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.00253	3.0
53.03872	3.8
55.01810	15.7
55.05456	39.2
57.03373	9.9
57.07003	4.5
57.93437	1.7
62.16561	2.1
67.05427	66.5
69.03349	4.9
69.06978	24.0
71.04897	3.7
71.08539	30.3
79.05408	44.2
81.03323	14.2
81.06976	50.8
83.04913	11.3
83.08530	22.2
84.04427	32.1
87.75904	2.4
91.05408	30.4
92.10194	8.2
93.06976	44.9
95.04897	14.9
95.08548	31.3
97.06469	5.2
97.10089	21.6
99.08023	15.8
102.48808	2.6
103.05403	9.2
105.06995	26.4
107.04897	3.3
107.08562	25.2
109.06451	4.7
109.10119	13.0
111.08047	6.1
117.06935	3.4
119.08548	17.0
120.08061	100.0
121.10120	14.2
123.08015	4.0
125.09583	14.4
130.05022	2.9
131.08591	3.4
133.10120	12.0
135.11708	5.5
145.10156	3.6
147.11694	5.4
149.13229	6.1
149.25650	2.4
151.11179	19.0
161.13217	4.9
163.11209	9.8
165.12700	4.7
166.08595	20.5
179.14206	3.7
186.09068	3.5
186.35126	2.9
189.11125	5.2
259.20483	4.9
277.21530	36.5
295.12854	3.6
295.22522	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	296.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06931	0.6
54.81305	0.7
55.64200	0.5
60.08101	6.4
63.51126	0.6
70.73832	0.6
71.07285	4.6
86.09628	35.1
96.27499	0.6
98.66154	0.6
100.07872	0.6
104.10682	100.0
111.32856	0.6
142.78197	0.6
175.10794	0.6
231.62093	0.6
236.99199	23.3
237.01465	1.0
238.18478	0.7
296.06570	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54339	0.3
57.03367	2.8
71.01268	0.6
73.83761	0.3
79.05401	0.6
84.04416	0.7
84.35434	0.3
85.02824	31.3
86.27822	0.3
91.05386	0.7
93.06962	1.7
103.05397	6.3
105.03323	0.3
107.04884	1.6
120.08054	100.0
121.08353	2.1
131.03397	1.2
131.04871	2.4
149.05963	1.1
166.08586	12.7
177.05510	0.4
186.09142	1.3
204.10182	0.4
250.10643	2.2
278.10510	0.4
278.43900	0.3
289.73016	0.3
296.11255	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10521	0.2
53.77519	0.3
57.03369	2.6
71.01254	0.3
74.06003	0.2
79.05409	1.1
84.04418	1.5
85.02830	30.2
85.04823	0.4
88.03922	0.3
91.05412	0.5
93.06973	0.6
103.05406	6.7
107.04891	1.8
120.08061	100.0
121.08419	2.6
131.03375	1.2
131.04919	2.0
138.39520	0.3
147.06401	0.3
149.06018	0.6
166.08607	13.1
186.09125	1.8
186.92172	0.3
250.10680	2.2
296.11136	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	28.4
57.07016	39.9
58.02626	3.5
58.02899	100.0
63.33906	2.5
67.05424	4.9
69.06992	39.5
71.08537	17.5
79.05423	3.3
81.06955	11.6
82.83024	2.7
83.08535	16.9
85.10100	5.4
86.05977	3.5
86.09608	3.2
93.06973	4.0
94.97136	2.9
95.08553	4.5
97.10085	12.1
100.07543	11.4
107.08518	3.8
114.09111	6.6
114.25241	2.9
118.44861	3.1
121.10089	3.0
125.92857	2.6
128.10667	10.2
144.82483	2.5
146.55562	2.8
146.74637	2.6
159.44386	3.0
170.15552	3.1
296.29431	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59121	1.3
53.03883	4.0
55.01805	3.5
55.05456	16.5
55.05664	2.3
57.03367	8.9
57.07019	2.4
63.41469	1.4
65.25716	1.3
66.19611	1.4
67.05424	55.8
69.06979	9.4
70.87653	1.6
73.23498	1.7
79.04961	3.6
79.05405	93.7
81.06972	89.5
83.08527	2.7
85.06467	4.1
91.05397	45.0
92.10770	2.9
93.06966	98.8
95.04881	9.7
95.08532	100.0
97.06447	3.1
99.08006	3.0
105.06972	47.4
107.08531	97.2
109.06466	9.1
109.10111	27.1
117.06953	18.6
119.08521	26.0
119.60550	1.7
121.10094	59.4
121.22717	1.8
123.08051	4.3
128.19925	1.8
131.08536	41.2
133.10118	13.4
135.11652	10.6
145.10098	50.2
147.11644	7.1
159.11655	12.2
161.13191	4.2
177.16333	11.9
185.13179	2.4
187.14780	67.4
189.16234	1.8
205.15862	44.5
251.81477	1.8
270.31503	2.0
279.19342	2.3
297.20578	2.3
300.95276	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	297.2422
Annotation	Coronaric acid
Peak:m/z	Relative Intensity
53.03885	4.1
53.39536	3.8
54.12467	3.6
55.01820	10.6
55.05450	88.5
56.52697	3.9
56.96486	4.2
57.03349	7.2
57.07010	31.7
67.05426	100.0
69.03307	5.2
69.06989	66.9
70.37650	4.3
71.04893	5.5
71.08546	77.4
79.05415	53.0
81.06973	98.0
83.04869	8.5
83.08529	31.0
85.06438	5.3
91.05376	19.4
92.10219	19.5
93.06953	50.7
95.08541	76.2
97.06454	8.7
97.10078	22.3
98.97495	8.2
99.08021	31.0
105.06984	12.0
107.08528	39.8
109.10101	31.3
111.07998	5.2
119.08540	19.4
121.10107	12.3
125.09573	10.6
131.08485	9.1
134.99657	10.1
135.08034	5.8
135.11633	10.6
137.13145	6.7
147.11659	26.7
153.12723	7.3
154.95392	5.6
161.13164	5.3
215.06914	4.8
261.22134	12.0
274.97644	6.9
279.23013	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	297.2422
Annotation	9-Hode
Peak:m/z	Relative Intensity
53.03880	2.5
53.55665	1.5
55.01817	69.8
55.05452	59.4
57.03376	8.3
57.07010	13.6
59.04957	1.9
67.05427	60.4
68.39539	1.8
69.03344	2.5
69.06989	100.0
71.04906	3.9
71.08551	4.2
79.05405	41.2
81.06976	61.1
83.04900	17.2
83.08540	47.6
83.92175	1.8
85.06440	2.4
91.05421	12.8
93.06967	51.8
95.08540	46.4
97.06467	17.7
97.10101	14.1
101.54094	1.9
105.06949	4.3
105.23035	1.8
107.08529	38.1
109.10073	19.8
111.08019	7.9
119.08553	3.5
121.10099	21.5
123.11667	4.5
125.09570	2.5
131.08565	7.3
133.10094	2.9
135.08008	2.7
135.11662	18.9
137.13242	3.1
142.49228	2.0
145.10149	2.5
149.13272	2.3
151.14774	2.3
153.12730	34.8
163.11101	3.0
181.15871	2.3
183.13721	2.9
233.22690	3.3
243.21031	3.0
251.23595	3.0
261.22150	7.2
279.23080	32.2
297.24005	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2424
Annotation	Coronaric acid
Peak:m/z	Relative Intensity
53.00247	0.8
53.03885	2.6
53.14018	0.4
55.01816	0.8
55.05453	23.9
57.03368	1.0
57.07000	2.4
59.79490	0.4
65.03858	3.0
67.05428	88.7
69.06992	17.9
71.04912	6.2
71.08542	0.7
73.06488	0.4
79.05413	24.8
81.06976	100.0
83.04888	2.0
83.08543	13.1
85.06469	5.5
87.18561	0.5
91.05404	12.9
93.06974	25.7
95.04888	2.5
95.08533	88.3
97.06477	5.9
97.10098	6.2
98.97510	1.8
99.08039	2.2
105.06984	11.5
107.04893	0.9
107.08537	12.5
107.09207	0.8
109.06496	0.7
109.10107	28.1
109.80521	0.5
111.08014	2.6
111.11674	0.9
116.98552	2.1
117.06982	1.8
119.08549	9.1
121.06460	0.7
121.10101	16.1
123.08054	2.1
123.11668	9.2
125.09604	0.6
127.32851	0.4
131.08536	4.4
133.10091	5.6
134.99561	0.9
135.07974	0.7
135.11661	7.0
137.09595	1.0
137.13228	4.4
139.11198	0.6
145.10117	3.6
147.11685	6.1
149.09691	0.8
149.13231	2.3
151.11183	0.8
151.14822	1.0
159.11703	0.9
161.13243	6.1
165.12737	3.0
173.13240	1.1
175.14850	0.6
177.16286	0.7
179.14296	2.4
189.82774	0.5
195.23361	0.4
209.15332	0.6
223.16949	0.7
243.21086	2.4
261.22067	6.4
274.97342	0.5
279.23154	8.0
289.12286	0.5
292.98459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0968
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
53.87891	0.2
54.81345	0.2
58.86261	0.2
60.11915	0.2
61.01081	5.1
69.03362	0.4
69.96977	0.3
75.02618	2.8
92.10821	0.4
94.03963	0.3
97.02820	1.1
103.02046	0.2
106.55749	0.3
115.87418	0.2
119.03493	0.5
124.07304	0.3
136.06161	100.0
137.04561	0.4
142.71117	0.2
144.74023	0.3
145.03130	0.5
163.04242	0.5
298.09662	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	298.1139
Annotation	Nelarabine  
Peak:m/z	Relative Intensity
50.72490	0.2
55.01805	0.2
55.05450	0.2
56.96495	0.3
57.03365	1.1
58.06532	0.3
59.04929	0.2
59.07297	0.7
61.02850	0.3
64.33656	0.2
64.56565	0.2
69.03333	1.2
70.06499	0.7
72.96306	0.2
73.02821	0.2
73.06467	0.4
83.04902	0.3
84.04398	0.3
84.08065	0.3
85.02832	2.9
90.27887	0.2
97.02816	0.8
98.97507	0.3
99.07996	0.2
101.05939	1.2
109.05059	1.9
109.92818	0.2
110.03430	0.3
110.07096	0.2
116.98561	0.4
119.01915	0.2
119.07045	0.3
120.08050	0.4
127.03880	0.7
128.04539	1.6
128.62270	1.3
133.07510	0.2
134.99600	0.9
135.02936	0.3
136.06096	0.2
138.59807	0.2
149.04573	3.5
152.05644	6.2
153.04050	4.8
163.08597	0.7
164.08989	0.7
166.07211	100.0
167.05609	19.0
172.95184	0.2
190.96281	0.3
250.68913	0.2
297.14352	0.4
298.11456	0.3
298.14761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	Palmitoleoyl-EA
Peak:m/z	Relative Intensity
55.05449	17.0
56.96489	1.6
57.03363	1.4
57.07018	13.3
57.20190	1.2
58.07327	1.5
62.06017	100.0
63.48043	1.1
66.18099	1.3
67.05426	22.7
68.05751	2.1
69.06990	23.6
71.04892	1.3
71.08551	12.5
72.08868	2.5
73.91516	1.1
76.07768	1.3
79.05408	9.9
81.06980	22.9
82.07294	2.0
83.08527	11.6
91.05402	2.1
92.91284	1.4
93.06969	10.5
95.08520	18.8
96.08850	2.9
97.10117	3.1
98.97513	6.6
99.07997	5.6
107.08517	5.0
109.10106	2.5
116.98558	5.1
121.10045	3.0
134.99597	6.8
135.11635	2.1
147.11620	1.3
169.12193	2.2
170.12546	2.3
180.58727	1.4
262.22342	1.6
274.97528	2.8
280.23367	5.8
280.26233	2.6
281.24573	5.9
292.98370	2.9
298.27383	19.3
303.49344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.3102
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
50.50327	0.5
55.05444	2.9
57.03337	0.6
57.07008	9.9
67.74657	0.6
69.06982	3.5
71.04913	0.8
71.08551	6.3
74.05985	5.3
83.08527	0.7
85.10084	0.7
88.07552	16.7
88.11190	1.0
92.10873	2.0
94.71680	0.8
95.08511	1.2
102.09121	8.2
116.10677	2.9
172.17007	0.8
191.41051	0.8
202.30566	0.8
228.20924	1.5
228.23192	41.7
298.31000	100.0
299.31403	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.3101
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
53.00235	0.6
55.05436	1.6
57.03363	0.4
57.06738	0.5
57.07010	10.9
60.08089	4.1
67.05412	0.6
69.06985	2.2
71.04897	0.7
71.08546	4.3
72.08044	0.3
74.05990	4.0
78.18066	0.3
81.06972	1.0
83.08521	1.3
85.10091	1.2
86.05966	0.6
88.07553	10.9
89.12286	0.3
95.08547	0.8
98.16519	0.3
100.07502	0.3
102.09114	5.5
116.10683	3.5
125.30346	0.4
130.12238	4.5
133.64653	0.3
144.13797	1.8
148.31511	0.3
165.55351	0.3
167.24350	0.3
176.02831	0.3
213.85355	0.3
223.05650	0.4
256.26294	12.5
298.30981	100.0
299.31229	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.3101
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
52.84309	0.9
56.77001	0.8
57.06816	0.8
57.07010	12.8
58.02887	8.7
69.06984	1.5
71.08539	2.2
82.70799	1.1
88.07553	7.4
88.83891	1.1
92.10269	4.0
102.09115	10.4
116.10684	6.4
130.12292	2.2
268.72528	1.4
298.30984	100.0
298.34003	3.7
299.31421	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	298.3101
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
54.81404	1.5
54.81659	1.1
57.07014	14.3
59.26101	1.3
60.08096	26.3
63.29052	1.3
71.08528	2.2
114.36923	1.6
116.10716	2.5
130.12251	1.6
169.59013	1.4
170.87874	1.5
207.88680	1.4
298.31009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.3102
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
57.07016	8.6
60.08087	0.7
64.64896	0.6
66.05644	0.7
71.08546	3.9
72.04433	5.6
73.82990	0.8
85.10094	0.9
85.70390	0.8
95.08553	0.9
100.07537	1.0
102.09108	3.5
116.10680	7.2
130.12277	1.3
132.08992	0.8
152.23895	0.9
298.30994	100.0
299.31387	1.5
315.97601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01813	4.6
55.05462	16.3
57.03380	14.4
57.07005	3.6
61.02852	5.0
65.03859	2.3
67.05437	3.4
69.03349	89.3
71.04911	3.9
73.02837	4.0
75.40317	1.8
78.93507	2.1
79.05394	4.2
81.03348	3.9
81.06973	2.4
83.04907	28.1
85.02825	36.9
87.04392	2.5
91.05404	16.7
91.58167	1.9
95.08527	3.8
98.97502	3.0
99.04382	3.7
103.03874	4.2
105.06994	13.7
107.08541	100.0
109.06464	11.5
109.10063	3.0
111.04416	14.1
116.98591	9.3
119.08540	10.1
129.05447	20.8
134.99619	13.0
135.08035	45.6
147.06479	8.0
165.07556	2.6
252.96240	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	299.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	1.1
54.41615	0.6
55.01814	5.8
55.05451	13.9
55.27283	0.7
56.96498	4.8
57.03378	12.1
61.02854	6.9
63.09218	0.7
65.03864	4.0
66.36812	0.7
67.05421	1.1
69.03351	86.1
71.04903	4.9
73.02847	6.1
79.05405	4.3
80.61331	0.8
81.03362	5.6
81.06969	1.4
81.93220	0.9
83.04903	31.0
84.95965	3.4
85.02831	24.9
87.04409	5.6
91.05407	14.2
95.04933	1.1
95.08508	0.9
98.97513	3.3
99.04364	6.1
103.03905	5.7
105.03334	4.8
105.06979	13.5
107.04941	1.0
107.08543	100.0
109.06475	9.9
111.04402	15.8
116.98563	3.5
119.06011	3.0
119.08541	4.4
121.02827	14.1
129.05428	16.4
134.99652	1.8
135.08023	49.2
138.49727	0.8
147.06485	7.9
153.64323	0.8
161.01202	1.6
165.07533	5.4
181.08484	0.8
197.01300	1.2
215.02235	1.5
219.01727	0.8
271.05795	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	299.185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81989	1.2
55.01804	1.5
55.05447	6.1
57.06734	1.3
57.07008	26.5
65.93324	0.8
67.05418	4.1
69.03371	3.2
69.06995	2.2
71.04903	1.0
71.71406	0.8
74.90304	1.1
79.05412	4.8
81.06985	4.6
83.04901	3.5
83.08562	1.0
85.02856	0.8
85.06469	9.3
91.05395	6.1
93.06958	10.4
95.04899	1.0
95.08529	4.0
105.06966	13.7
107.08539	8.5
107.10947	1.1
109.06502	1.5
109.10131	1.1
111.04404	9.9
116.98528	1.1
117.06955	1.5
119.08546	7.5
121.10109	5.4
123.08002	2.2
131.08521	7.7
133.10097	41.0
135.07991	6.7
139.01389	0.9
143.08505	0.9
145.10065	1.9
147.08034	5.8
147.11668	3.4
149.09589	100.0
151.07544	5.2
151.11153	4.5
157.10071	1.4
161.09570	17.7
163.11086	1.0
165.09073	5.8
166.40343	0.8
167.10567	3.7
175.11156	3.6
177.09143	2.2
179.10669	3.9
185.09589	0.9
189.09029	1.8
195.10085	6.5
203.10461	1.0
203.14284	4.6
207.10129	24.4
207.13777	1.7
217.15779	10.3
221.11691	1.5
235.16855	5.3
245.15265	9.2
263.16348	35.3
281.17325	1.2
284.68817	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	2.1
54.49002	1.8
55.05189	3.0
55.05455	89.0
57.03363	2.0
57.07011	31.2
67.05428	58.4
69.06989	100.0
71.04924	2.7
71.08541	12.8
72.04414	7.1
79.05409	26.2
81.06982	71.8
83.04934	2.6
83.08538	52.2
85.06449	2.4
88.19505	1.9
91.05396	14.8
93.06974	31.6
95.08536	62.5
97.06447	10.8
97.10104	38.8
98.97500	4.3
99.40247	2.0
105.06976	17.2
107.08533	20.2
109.10107	29.1
111.08035	7.8
111.11661	11.9
116.98547	3.4
119.08534	13.7
121.10101	19.4
123.11655	3.7
124.29058	1.9
133.10117	12.2
134.99617	4.1
135.11649	11.1
137.13145	3.0
147.11661	11.5
149.13232	4.6
161.13249	4.1
175.14810	2.6
211.80971	2.1
212.23616	4.4
218.98419	1.9
230.24782	16.2
240.23158	8.8
245.22681	3.7
258.24158	34.2
263.23718	14.3
269.83044	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2576
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.05452	53.5
57.03368	3.8
57.06778	4.4
57.07014	74.6
57.54238	2.3
60.32602	3.4
61.17674	2.5
61.73653	2.6
63.21012	2.9
64.14954	2.4
67.05089	2.9
67.05426	68.0
69.06990	71.0
71.04913	3.8
71.08545	89.1
72.04416	3.1
79.05384	14.3
81.06513	4.0
81.06975	98.2
83.08533	46.2
85.10101	38.7
91.05379	7.0
93.06981	23.9
95.08537	100.0
97.10114	30.0
102.99952	3.3
105.06989	4.8
107.08527	12.4
109.10120	36.6
111.11652	3.7
119.08513	14.8
121.10109	6.1
123.11662	15.6
133.10091	14.2
134.99335	3.0
137.13269	5.2
141.55476	3.7
144.74532	3.7
147.11722	5.0
155.14249	17.1
175.14702	4.2
197.29776	3.9
201.93640	3.2
245.22656	7.1
263.23547	7.1
299.25763	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	300.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61879	1.0
52.94657	1.2
53.03879	1.6
55.01814	1.4
55.05448	6.9
56.96497	1.6
65.03864	2.1
67.05424	14.8
69.03351	17.4
69.06995	2.1
69.13131	1.2
71.04931	4.7
76.31273	1.3
79.05415	7.5
81.06967	3.4
81.65357	1.4
83.04888	3.3
84.08106	1.4
91.05409	22.1
93.06982	17.7
93.89104	1.6
95.04897	32.0
95.08508	7.5
97.02801	1.6
97.06441	1.8
98.97494	2.4
103.75611	1.3
105.03368	2.9
105.06977	34.4
107.04884	1.5
107.08537	10.8
109.06471	16.9
109.10131	3.1
111.04400	19.8
111.08017	3.2
113.05965	7.9
117.06968	9.3
119.08538	42.8
121.02852	2.7
121.06469	18.5
121.10124	7.7
123.08027	19.3
125.05931	1.7
128.06161	2.3
129.06963	7.4
130.07777	2.6
131.08527	22.9
132.05634	2.5
133.06454	3.4
133.10146	11.5
135.08034	36.1
137.05934	1.9
137.09570	6.5
139.03882	3.2
139.07458	5.3
141.06947	2.6
142.07747	6.0
143.08554	11.5
144.05721	1.7
144.09329	3.1
145.06433	6.8
145.10101	18.6
146.07220	2.9
147.08029	19.8
147.11668	8.5
149.09618	6.3
155.08553	6.8
156.09344	6.8
157.10118	8.9
158.07242	12.3
158.10843	1.9
159.08008	22.2
159.11623	17.3
160.08806	2.0
161.09581	21.6
165.09074	10.3
168.09325	2.0
169.10091	1.6
171.08070	5.6
171.11682	7.8
172.08800	9.7
173.09598	8.2
173.13159	10.5
175.07507	28.1
175.11102	13.1
181.10066	1.6
183.11690	9.6
185.09644	2.2
187.11150	17.2
189.09111	6.5
189.12752	7.5
196.08841	3.0
199.11089	13.4
201.12732	14.0
203.10654	8.7
205.12088	1.7
211.11136	12.1
217.12166	12.3
219.13838	1.9
229.12199	12.8
235.13283	2.8
247.13275	33.7
265.14288	100.0
266.14526	2.6
281.66660	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2893
Annotation	Palmitoyl Ethanolamide
Peak:m/z	Relative Intensity
54.81672	1.4
57.03346	1.5
57.07009	23.1
60.15823	1.5
62.06013	100.0
67.05415	3.3
69.06978	1.9
69.44462	1.3
71.08542	15.2
80.65670	1.3
81.06970	6.2
83.08529	2.2
85.10105	3.5
95.08524	9.0
160.46974	1.9
183.29720	1.5
184.28012	1.8
186.64203	1.6
282.27942	2.3
283.26236	8.3
300.28894	14.9
300.32211	3.4
315.35342	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2896
Annotation	Palmitoyl Ethanolamide
Peak:m/z	Relative Intensity
51.47169	0.9
55.05449	1.7
56.96482	0.8
57.07011	13.6
67.05396	1.6
69.06986	1.3
70.06510	15.5
71.06948	1.0
71.08539	5.8
71.19441	0.9
79.55192	1.0
81.01718	1.0
82.75598	1.0
84.08060	1.8
85.10083	1.1
88.07541	4.9
92.10919	1.4
98.97526	1.2
100.07569	4.5
112.07524	1.5
114.09106	19.8
116.98541	4.2
130.08594	3.9
132.10161	39.6
132.11092	2.0
134.99594	2.4
153.00763	0.9
174.60866	0.9
174.62476	1.1
211.60626	1.0
211.69919	0.9
228.58203	1.2
234.33800	1.1
256.26129	1.0
277.00778	1.5
300.28915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	6a-Hydroxymaackiain
Peak:m/z	Relative Intensity
50.94311	0.7
55.05441	0.8
67.05415	1.1
68.99704	1.3
91.05382	0.8
93.06999	0.8
95.08514	1.3
100.04585	0.8
109.02859	0.9
118.04095	3.6
119.08527	0.9
140.01054	2.9
168.00517	6.7
177.00699	0.7
184.05104	1.6
186.01566	15.0
212.04530	1.7
229.04927	1.0
240.04128	3.5
241.04793	1.3
255.06519	1.0
257.04416	1.1
258.05215	4.7
268.03589	0.9
285.03888	17.8
286.04663	100.0
301.07010	49.9
318.25858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
55.01796	4.8
55.05452	44.1
56.96500	5.3
57.06997	9.7
67.05424	39.4
69.06999	37.9
79.05416	51.5
81.06971	69.3
83.08551	6.8
91.05410	59.1
93.06975	69.3
95.04901	27.4
95.08537	40.5
97.06437	8.8
97.10124	4.8
98.97511	8.3
105.06979	94.1
107.08501	62.1
109.06467	44.9
109.10088	33.4
115.05247	4.1
116.98542	6.2
117.06961	29.3
119.08536	100.0
121.06449	20.1
121.10105	43.1
122.60872	4.5
123.08062	5.3
128.06133	5.3
129.06960	11.3
130.07722	11.3
131.08554	76.5
133.10075	55.3
134.99643	7.2
135.08023	24.2
135.11647	6.2
142.07738	6.1
143.08542	37.8
144.09317	5.8
145.10118	78.0
146.07227	9.1
147.11629	28.9
149.13115	5.8
155.08447	5.9
157.10136	8.5
158.10890	29.3
159.08051	5.7
159.11626	27.3
161.01135	4.9
161.09595	54.5
170.10875	6.2
171.11655	9.8
172.95239	9.6
173.13216	86.3
175.14723	6.4
177.00726	5.7
179.08543	8.7
181.10182	5.2
185.13261	5.1
190.96349	9.2
191.14270	8.2
203.88011	4.7
261.28763	6.8
300.28995	5.3
301.28998	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	302.1498
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
54.81459	0.6
55.01803	1.8
60.66483	0.4
67.03307	0.4
68.05000	0.4
69.03327	0.4
70.06511	37.1
79.05389	0.6
83.24738	0.5
114.05478	18.8
114.06281	0.7
115.05391	3.6
116.07043	15.1
117.05691	4.2
118.06469	0.7
125.07063	4.8
130.05478	0.6
130.06494	18.8
132.08057	61.3
142.06488	8.7
144.08063	11.4
159.09149	100.0
160.07538	7.0
170.05978	23.1
171.07628	2.3
172.07515	3.1
213.96996	0.4
218.41080	0.5
239.11757	0.5
257.12799	1.0
285.09134	0.9
285.12283	25.8
302.14886	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	302.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	1.6
55.01804	1.4
55.05444	1.0
56.96505	1.2
64.78281	0.6
67.05416	4.0
67.20458	0.7
69.03339	4.1
69.06998	1.4
69.31921	0.7
71.04549	0.9
71.04908	11.9
75.97278	0.7
76.39848	0.7
79.04960	1.5
79.05404	35.0
81.03338	1.3
81.06971	26.0
83.04845	1.0
85.06451	0.9
86.09624	1.0
91.05398	8.1
93.06963	4.1
95.04856	6.4
95.08517	1.1
97.06463	12.7
98.97511	1.2
99.04385	24.4
105.06979	25.8
107.04900	15.7
107.08523	5.3
109.06459	4.5
109.10102	8.5
117.06973	6.2
119.07671	1.1
119.08540	32.7
121.06451	6.3
121.10129	1.1
123.04373	0.8
125.05946	7.7
128.06160	6.7
129.06953	4.6
131.08516	1.2
133.06416	3.5
133.10097	29.7
135.07996	1.5
137.06004	0.9
137.09607	14.4
143.08543	17.3
145.06528	1.5
145.10112	3.4
146.07246	7.3
147.08018	25.9
151.11154	0.9
161.09576	100.0
163.11145	1.0
165.09064	17.9
171.07996	3.6
174.06746	2.0
179.10683	5.8
189.09074	12.5
207.10127	37.2
225.11139	3.8
267.12225	9.6
285.13220	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	302.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00229	1.6
55.01815	1.5
55.05458	11.2
55.05669	1.4
56.96493	2.5
57.03354	1.6
57.07002	5.9
58.96989	1.3
67.05073	2.1
67.05425	42.1
69.06987	27.3
70.06474	1.3
74.02351	49.4
78.79011	1.2
79.05400	6.8
81.06972	86.5
83.04897	6.7
85.02802	1.3
88.03369	2.6
88.03914	78.6
91.05414	4.9
92.11027	1.1
93.06969	5.0
95.04888	8.2
95.08529	9.3
98.97490	1.7
99.04388	1.3
105.06986	2.8
107.04906	2.3
107.08541	18.9
109.06469	5.6
109.10106	91.1
116.03412	29.6
116.98558	2.0
123.11661	48.2
133.10141	4.9
134.04454	100.0
134.99641	1.4
151.11186	2.6
160.57564	1.2
169.26756	1.2
177.00589	1.8
177.59326	1.2
182.45580	1.3
186.56488	1.7
198.07626	1.6
216.08574	9.9
228.08569	1.5
230.04514	1.4
259.04596	2.1
266.13766	2.3
284.14890	20.9
308.84290	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01821	0.6
55.05447	1.5
56.04955	0.5
58.06533	6.1
59.07309	1.8
60.08101	18.8
67.05422	2.8
67.68680	0.3
69.06983	2.4
69.75748	0.3
74.02328	2.2
82.06485	0.8
83.08547	0.5
84.08072	15.1
85.06455	2.4
93.06982	1.0
95.08530	3.4
96.08073	0.5
98.69659	0.4
100.03910	2.9
102.36933	0.4
110.05969	2.2
110.09623	4.3
112.07545	1.7
112.11178	3.6
121.06464	0.5
128.07071	2.1
130.08554	0.4
130.69350	0.5
131.11749	1.7
133.65024	0.5
138.09119	5.3
140.10722	3.1
155.15463	0.6
156.10175	5.5
184.09644	10.0
190.67323	0.5
197.16486	7.2
199.14420	6.8
215.17513	5.1
243.17003	100.0
244.17494	0.7
267.81387	0.5
275.00656	0.4
287.66678	0.4
302.24277	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	302.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41963	0.3
51.74318	0.3
55.01786	0.4
55.05440	0.7
57.70879	0.3
58.06530	8.0
59.07302	2.1
59.17133	0.3
59.74979	0.4
60.08093	21.8
67.05420	2.7
69.06978	2.3
72.04414	0.4
74.02341	1.7
74.66029	0.4
82.06480	1.9
83.08530	0.6
84.08062	16.3
85.06467	2.7
93.01638	0.4
93.06909	0.6
94.06519	0.5
95.08534	3.8
96.04398	0.5
96.08011	1.5
100.03890	3.4
108.41599	0.4
110.05985	2.1
110.09635	3.4
111.08105	0.4
112.07483	1.2
112.11172	5.2
120.39944	0.4
128.07024	2.2
128.10637	0.7
131.11772	1.8
138.09088	5.1
140.10661	2.3
140.11623	0.4
147.42114	0.4
155.15341	0.5
156.10146	5.4
184.09645	9.4
197.16432	6.5
199.14374	6.3
215.17494	5.1
243.16974	100.0
245.33127	0.4
302.24319	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	302.3049
Annotation	Sphinganine
Peak:m/z	Relative Intensity
52.33885	0.4
55.05436	0.8
57.07014	14.8
58.06519	0.9
60.95766	0.6
61.96340	0.6
62.06013	0.6
70.06511	18.6
71.08549	4.5
81.06975	0.6
85.10098	2.2
86.09607	0.9
88.07552	23.3
92.10229	2.7
102.09133	6.7
104.10658	3.1
106.08617	11.7
115.38864	0.7
131.76300	0.6
140.52554	2.2
153.00449	0.7
184.07317	0.7
196.53111	0.6
224.47560	0.5
240.26807	1.2
270.23752	0.6
284.29425	7.8
302.30484	100.0
303.30862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23625	0.2
53.86342	0.2
86.47456	0.3
98.97516	1.3
101.00797	0.6
116.98547	1.7
119.01879	8.9
120.01976	0.3
131.49249	0.2
134.99669	1.2
137.02925	5.1
150.10840	0.3
153.00833	0.4
158.99911	0.5
168.79207	0.3
177.00905	20.6
178.01024	1.4
182.99908	0.5
193.04065	0.5
195.01944	0.4
200.02551	0.3
201.00920	0.5
217.04025	3.9
219.01955	33.2
220.02057	2.0
221.01813	0.3
225.00694	1.7
228.81071	0.2
242.03535	0.4
243.01938	3.6
244.02063	0.4
256.96561	1.0
261.02988	100.0
262.03091	8.4
263.03308	0.2
274.97754	0.3
279.00665	1.0
280.00858	0.3
284.04636	1.9
289.53104	0.2
291.56354	0.3
303.00690	1.0
303.04199	1.1
308.89032	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	303.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38067	1.0
53.71589	1.1
53.81639	1.0
56.96501	91.1
64.54121	1.1
68.46402	1.0
71.17612	1.0
71.95173	1.6
72.82695	0.9
83.97575	1.2
94.20586	1.2
97.99092	1.6
98.97517	20.2
116.98579	20.3
132.08063	8.0
134.99619	10.4
153.00731	1.3
167.03828	1.8
174.02228	27.4
186.09079	1.1
188.03812	6.5
192.03285	100.0
204.03401	2.0
206.04846	36.0
207.01965	2.3
210.04326	30.4
215.04875	30.6
217.06424	19.3
220.02696	6.0
222.04332	7.2
224.05910	12.4
229.02795	1.3
231.04491	1.5
233.03836	2.2
233.05939	37.1
234.04321	2.5
235.07510	29.0
236.02029	1.7
238.03934	4.4
240.05383	1.8
243.04388	5.9
247.03804	7.7
249.05421	2.1
258.04221	2.2
261.05405	76.9
276.05423	1.6
279.06448	92.5
303.06387	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	303.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	17.5
55.05442	13.3
56.96490	3.8
58.99520	3.5
67.05416	12.7
69.06961	3.0
70.02877	4.7
72.04418	3.6
73.60304	3.7
79.05419	4.6
81.06967	13.5
84.08056	5.9
84.14085	2.6
86.00558	5.9
86.09589	4.6
88.02117	3.9
90.05445	3.3
93.06990	4.6
94.06495	3.6
95.04893	3.6
95.08522	12.2
99.01348	5.9
100.02129	17.8
100.11182	18.7
104.01641	4.4
105.06975	3.3
112.02153	5.0
113.02865	3.8
114.09105	2.9
116.01653	17.6
121.10098	3.9
130.04932	5.2
131.02718	5.9
137.05939	12.9
138.38576	3.1
140.10687	19.8
143.02745	6.1
158.02611	4.0
158.09947	13.0
164.03622	3.1
167.11765	78.0
168.08359	14.2
169.09145	5.4
170.09964	39.3
196.07861	6.5
214.08917	3.4
221.12801	3.6
239.13873	100.0
258.72260	2.7
275.14200	6.5
285.12640	16.3
303.13663	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	303.1804
Annotation	Viridamine
Peak:m/z	Relative Intensity
53.68324	1.0
54.50857	1.1
55.34892	1.1
73.53996	1.2
78.78687	1.3
89.29467	1.2
104.99223	13.6
105.07048	1.2
153.00349	2.7
155.01881	24.3
156.99820	2.1
171.01367	100.0
194.02922	2.1
221.10117	3.0
237.09657	11.5
257.15964	3.1
262.98239	1.7
302.30679	2.0
303.17984	19.5
303.30774	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2528
Annotation	3-tetradecanoyl-sn-glycerol
Peak:m/z	Relative Intensity
50.22942	1.2
52.68570	1.2
53.00254	2.0
55.05449	8.9
57.03372	6.4
57.07014	100.0
58.20757	1.1
61.78180	1.3
67.05433	26.9
69.06989	19.0
71.08550	60.0
75.04406	2.9
81.06976	24.0
81.50773	1.2
83.08542	6.7
85.10107	24.0
87.25009	1.4
95.08538	40.5
97.10111	2.0
104.99219	8.3
109.10109	15.6
111.11679	3.4
113.53809	1.4
123.11663	7.1
137.13226	1.7
143.77905	1.3
182.08954	1.6
211.20544	21.4
213.49084	1.9
223.42436	1.7
229.21660	2.0
285.24231	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	304.1501
Annotation	(R,R,R)-nicotianamine
Peak:m/z	Relative Intensity
54.81397	1.0
56.04969	9.9
56.96508	0.9
58.06531	100.0
58.49681	0.7
63.22877	0.7
68.04959	1.0
69.03323	0.8
70.06507	14.0
72.04422	0.8
72.08067	3.8
73.36328	0.7
74.02341	0.8
74.05988	0.8
84.04421	25.0
84.08088	2.8
85.02837	0.9
85.07584	4.0
86.05988	14.5
86.09618	9.8
88.03914	0.9
90.05482	24.2
96.08048	1.9
98.02354	1.4
100.03911	4.0
102.05472	4.2
113.98345	0.8
114.05476	33.1
116.03441	0.8
119.01859	1.3
123.09130	1.0
123.75746	0.9
124.07551	7.5
128.07053	1.3
129.06573	3.4
129.10158	0.9
130.04990	6.3
141.10191	5.0
142.08600	4.3
143.11800	1.0
156.06429	1.0
157.09717	6.4
164.83548	0.7
169.09686	4.6
172.03963	0.8
175.10713	21.2
175.12064	1.0
185.09161	39.0
185.10733	1.6
186.07579	1.0
191.07565	1.0
215.10242	5.8
240.13388	1.2
244.17270	1.2
286.13971	15.0
304.14935	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	304.1656
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
54.81254	0.9
55.01825	1.2
55.05457	20.5
57.05754	1.6
58.06536	1.1
64.95078	0.8
66.34698	0.9
67.05429	1.8
69.06981	1.5
70.06513	5.1
72.04439	1.2
72.08073	100.0
74.88973	0.8
79.05431	1.6
80.72877	0.9
81.03394	0.9
81.06968	2.0
84.04458	1.1
85.02818	1.1
86.09628	10.3
88.02132	8.8
91.05405	2.3
93.06956	1.3
95.04900	1.7
97.06423	1.6
98.06013	6.8
98.09628	1.1
99.09130	1.0
105.06980	2.3
107.00101	1.0
109.06429	1.0
110.07112	1.1
111.04341	1.2
113.05899	1.1
114.05484	1.8
114.95093	0.9
115.05402	4.1
116.07033	7.3
117.05702	6.0
117.06998	4.2
118.06507	10.7
127.08642	4.3
128.98666	1.0
130.06496	25.1
132.08067	64.8
137.05968	2.3
142.06476	8.3
143.07349	3.0
144.08076	47.4
146.05998	47.1
156.08224	1.1
159.09158	83.6
160.07512	7.7
160.09503	1.5
170.05992	22.1
185.07471	0.9
185.09187	3.7
188.07039	68.1
189.95143	0.9
201.10587	2.4
205.09702	24.2
229.90144	1.2
233.11501	1.0
287.13870	23.7
304.16614	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	304.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01795	0.2
55.05450	2.3
61.31058	0.1
65.03841	0.2
66.04640	0.2
66.48763	0.1
67.05423	1.2
69.03330	0.2
69.06978	0.7
72.04436	0.1
75.03377	0.1
76.55990	0.1
79.05390	0.8
81.06968	2.0
83.04893	0.2
83.08532	1.9
85.05242	0.2
86.05971	0.2
91.05389	0.9
92.10933	0.5
93.06951	0.6
94.04109	2.9
95.04915	0.2
98.05971	0.5
105.06940	0.3
107.04874	0.2
107.08530	0.3
109.06464	0.2
109.10107	1.8
119.08562	0.1
122.03599	10.9
123.08078	0.2
123.11649	0.5
132.41299	0.1
133.10075	0.8
136.05264	0.1
137.05951	100.0
138.06284	0.6
149.09637	0.1
150.65471	0.1
151.11147	1.1
168.13785	0.8
180.13826	0.8
271.60547	0.1
304.26260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	0.8
55.17259	0.5
57.07002	0.8
65.03854	1.3
67.05428	1.9
69.03353	0.6
69.06967	3.1
70.06511	1.2
73.52699	0.5
79.05386	1.1
81.06957	2.7
83.08508	0.5
88.07536	1.3
90.93541	0.5
93.03320	1.1
93.06947	2.5
94.00442	0.5
95.08514	0.8
102.09116	0.9
107.04887	0.8
107.08527	2.1
109.05190	0.7
109.10083	1.0
110.03606	12.2
111.04397	8.9
113.05945	2.7
121.10080	0.6
125.05949	22.8
135.11664	0.8
137.04704	10.3
137.05838	0.9
137.62360	0.5
151.57343	0.5
152.07039	100.0
152.76749	0.5
156.83162	0.6
242.24715	2.9
265.75720	0.5
304.28378	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	304.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66673	0.4
54.81542	0.5
54.81781	0.5
55.05460	1.1
56.96497	0.8
67.05427	1.8
69.06981	2.3
70.06503	1.1
75.51263	0.4
79.05393	1.0
81.06973	2.4
83.04937	0.6
83.08510	0.5
84.65625	0.4
91.05437	0.7
92.10925	0.6
93.06969	0.9
94.04108	3.8
95.08547	0.9
105.06978	3.0
107.08533	2.6
109.06478	0.7
109.10104	2.7
112.07535	0.7
114.05460	0.6
121.10081	0.5
122.03587	8.6
123.11645	0.9
133.10103	7.0
137.05960	100.0
151.11200	1.9
163.11195	0.5
163.50760	0.5
166.96352	0.6
168.13799	5.5
170.09988	0.7
185.09239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81115	0.2
55.05437	0.5
56.04977	0.3
56.51426	0.3
58.06527	0.3
65.03869	0.3
66.00982	0.2
67.05415	1.5
69.06993	2.0
70.06499	1.0
72.96854	0.2
79.05389	0.6
81.06983	2.0
83.04878	0.3
83.08567	0.3
83.63387	0.3
88.51330	0.2
91.05395	1.3
93.06988	0.5
93.83237	0.3
94.04116	1.8
95.04909	0.6
98.05975	0.3
100.07560	0.5
105.03320	0.5
105.06978	3.0
107.04893	0.3
107.08524	2.2
109.10062	2.0
112.07549	0.6
114.05516	0.4
122.03601	7.9
123.11633	0.3
133.10106	5.5
137.05954	100.0
151.11166	1.7
163.57401	0.3
168.13803	5.5
180.13818	0.5
185.09258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2632
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
55.05437	2.0
59.29075	1.0
60.69722	1.1
69.06976	6.7
72.04429	100.0
83.08540	2.0
91.05393	7.4
100.07559	1.6
104.99238	1.7
105.06989	12.4
109.32207	1.1
114.09091	4.6
119.08527	8.8
121.68306	1.1
134.73885	1.2
153.29710	1.1
156.13805	2.1
161.13242	2.9
234.18471	7.1
241.19548	1.3
275.25629	1.4
276.78757	1.4
304.26291	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13361	1.4
55.05450	1.7
57.07013	20.7
58.06524	2.5
69.03333	7.9
70.06509	45.2
71.08549	3.7
79.05399	1.9
81.07010	1.6
86.09605	2.1
87.04404	2.5
88.07561	49.1
92.10797	2.2
101.83743	1.6
102.09121	30.7
107.08557	19.4
113.05957	32.6
119.42964	1.7
134.13902	1.4
135.08047	19.9
137.06056	1.7
163.07492	5.5
167.10692	3.6
203.14305	3.6
207.30479	1.7
219.17383	26.2
227.12779	2.6
242.24742	74.4
253.80000	1.6
255.12181	2.4
286.27344	3.6
294.14276	1.4
304.28445	100.0
305.17090	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07011	0.6
58.06534	30.3
60.04290	0.4
66.33922	0.5
72.62561	0.4
73.04828	0.5
73.15853	0.5
76.37112	0.4
91.05405	100.0
104.99216	4.5
113.05943	0.6
143.51154	0.5
212.23680	19.2
262.98032	0.7
304.29932	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	305.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01798	1.1
55.93464	0.7
56.09785	0.6
56.96486	4.1
66.71488	0.6
67.05418	1.7
69.03350	1.7
70.02863	1.7
70.06501	4.4
71.01261	1.2
71.04932	2.7
72.08051	1.2
72.93703	1.4
74.05971	0.9
79.05399	1.9
81.03333	1.0
81.06969	1.8
84.04453	1.0
85.02787	2.6
85.06486	0.9
86.05960	1.9
88.01484	0.7
89.93954	0.7
90.94740	1.4
91.05399	3.4
93.06952	1.0
95.04899	2.9
96.04338	0.7
98.97527	1.1
99.00721	1.1
105.03305	1.2
105.06940	1.7
109.06438	0.8
110.07088	0.7
113.05970	1.3
114.05493	3.5
116.04922	100.0
119.08474	1.1
123.08016	0.9
127.04978	0.8
128.04892	1.7
132.04387	0.8
133.06461	1.2
134.99594	0.9
142.06509	1.1
144.04417	60.4
145.05109	1.4
146.05989	6.5
149.04688	4.3
150.96881	3.1
160.07542	11.2
162.05469	4.3
167.97160	1.2
170.05952	21.8
171.05447	1.5
172.03889	74.3
173.04605	0.9
173.07048	8.8
174.05424	3.0
177.04210	4.1
185.09167	2.9
186.09518	1.1
187.08621	27.0
189.06505	9.9
190.04950	31.4
191.97127	1.2
199.04991	6.4
201.06575	6.6
213.06595	1.7
215.08093	17.9
241.06046	8.7
245.05389	1.6
287.06686	2.9
305.07614	58.1
306.07974	0.9
316.89438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33501	3.9
56.96505	94.5
69.06980	10.6
70.06509	100.0
71.06832	7.2
73.89784	4.8
84.08047	11.2
86.05987	7.2
86.09633	72.3
87.09926	6.7
88.03931	10.6
97.87885	5.0
98.97501	11.0
100.03879	7.8
110.07090	10.6
112.08697	5.2
114.05482	20.9
116.98563	6.2
120.08112	9.5
144.42079	4.9
176.03813	8.3
178.05350	8.4
185.09145	23.9
194.04945	20.1
194.68117	5.5
196.06473	33.9
201.12367	13.1
205.86353	5.3
213.17790	6.0
222.04362	31.7
240.05392	45.9
264.05362	42.7
286.25732	5.6
287.14099	6.2
305.10135	25.8
306.88751	6.6
328.76212	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	305.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.8
53.35754	0.1
55.01821	0.2
55.05452	0.2
55.35924	0.1
57.03386	0.1
57.96157	0.1
60.92392	0.1
65.03876	0.2
67.05425	1.2
69.03357	0.2
70.06504	0.2
76.55849	0.2
77.03843	0.2
79.05404	0.7
80.04931	0.2
81.03333	0.2
81.06975	1.2
91.05402	3.8
93.05699	0.7
93.06970	3.6
94.06488	0.8
95.04891	2.1
95.08554	0.4
96.08059	0.7
97.06454	0.2
98.97464	0.2
99.04442	0.2
105.04486	0.3
107.08544	0.2
107.44216	0.2
108.04469	0.2
108.08064	2.3
114.05548	0.2
116.98574	0.2
122.05981	2.2
124.07551	9.3
126.05482	2.3
127.03872	0.2
136.07549	100.0
137.07887	1.0
138.09103	0.3
140.07053	1.7
147.95079	0.1
150.05527	0.2
152.07042	10.8
153.07280	0.2
164.07025	51.0
165.07352	0.7
166.69292	0.2
170.08031	1.8
182.08078	6.3
187.03864	0.3
252.12936	0.2
287.13800	1.9
305.14893	1.5
307.86963	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	305.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	1.1
55.01805	0.7
56.04971	0.3
56.96507	0.2
57.03381	0.2
58.99541	0.2
64.33367	0.2
65.03855	0.3
67.05422	0.9
69.03348	0.3
70.06528	0.2
76.02148	0.3
77.03830	0.2
79.05424	0.3
81.03344	0.2
81.06983	1.2
84.04417	1.0
85.02828	0.4
90.05480	0.3
91.05404	3.8
93.05721	0.4
93.06967	3.3
94.06509	0.8
95.04897	1.8
95.08527	0.5
96.08061	0.4
97.02855	0.4
97.06480	0.3
98.97527	0.3
105.04446	0.4
105.06899	0.3
108.08048	2.0
112.11198	0.2
116.01641	0.2
116.98554	0.3
122.05981	2.8
124.07545	9.7
124.08427	0.4
126.05468	1.8
129.06966	0.2
130.04973	0.2
136.07550	100.0
137.07855	0.8
138.09113	0.3
140.07007	1.6
142.03217	0.2
146.06039	0.2
150.05493	0.3
152.07040	10.6
158.02646	0.2
159.06752	1.0
164.07025	53.4
166.08485	0.3
170.08098	1.9
170.09473	0.2
181.30652	0.2
182.08093	6.1
195.45123	0.2
214.51053	0.2
245.12807	0.4
287.13910	3.7
305.14865	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	0.6
55.01801	3.5
55.05439	4.2
56.04955	0.9
56.96489	1.1
57.03357	2.8
58.99523	0.9
61.54800	0.5
67.05418	2.6
69.03345	4.7
69.06982	4.0
70.06510	4.7
71.04900	3.0
71.92923	0.6
72.08065	0.7
73.02821	0.7
74.00585	1.1
74.05966	1.1
76.02132	1.1
79.04960	1.2
79.05402	23.0
81.03332	4.2
81.06971	4.2
83.04877	3.3
84.04417	3.0
84.08049	2.6
85.02352	0.7
85.02825	11.9
86.09617	1.5
87.04393	1.0
88.03901	2.3
91.05398	7.6
92.10181	1.2
93.06974	19.8
95.04893	3.2
95.08506	2.8
97.02809	3.3
97.06427	1.3
99.04397	6.7
103.03870	9.6
105.06976	18.6
107.04882	1.0
107.08533	100.0
109.02835	2.6
109.06458	3.3
110.07084	2.8
111.04430	1.1
116.98603	1.0
117.06930	0.7
118.06466	0.8
119.08527	3.8
121.06454	2.5
121.10099	20.8
122.02706	1.5
123.07998	3.5
127.03889	8.4
130.06497	7.1
131.08530	6.6
132.04436	1.0
133.10037	1.0
134.99609	1.2
137.05945	12.6
139.03903	0.7
139.11131	2.6
145.04999	1.2
146.05968	4.4
147.04378	0.9
149.09592	46.2
153.07288	3.3
157.07581	5.0
158.05959	8.3
167.06915	0.9
167.10635	35.4
167.97279	0.8
175.08646	2.8
177.00697	0.7
181.06766	3.5
185.11682	5.1
188.07007	1.2
219.45468	0.6
224.10995	3.1
237.02631	1.1
253.14333	0.8
270.11411	1.1
288.12518	1.5
289.11026	4.7
305.15427	1.1
306.13461	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	306.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	0.6
57.03376	0.3
57.06739	0.6
57.07011	16.2
61.62212	0.2
67.05422	0.4
69.06977	2.0
72.04400	0.4
76.01668	0.3
78.88050	0.3
79.05408	1.2
81.06966	1.4
83.95676	0.3
88.07548	2.6
91.05404	1.2
92.10194	0.4
93.06989	1.2
94.04094	2.4
100.07525	0.5
102.10415	0.3
102.90325	0.3
105.06952	0.4
107.04896	16.7
107.05624	0.6
107.08575	1.1
109.10099	0.7
115.24529	0.3
119.08496	0.3
121.06471	0.3
122.03594	8.4
129.45262	0.3
133.10101	0.7
135.11693	1.4
137.05949	100.0
138.06287	1.0
147.07959	0.5
153.12756	0.5
163.11124	5.2
182.15327	0.7
194.11720	31.6
203.14206	0.6
219.01891	0.4
219.17369	2.0
250.17969	16.7
261.03036	0.5
306.24225	5.8
306.27612	0.8
306.91830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89299	0.5
55.05443	0.9
56.04977	9.6
57.07014	8.7
58.06533	13.7
59.08595	0.5
60.04440	4.4
68.04943	1.2
68.95610	0.6
70.06498	1.1
71.08539	2.8
72.04426	0.7
72.08073	5.0
74.05988	7.5
75.25498	0.5
79.15409	0.7
82.68299	0.7
85.10093	1.0
86.05993	7.8
87.04393	0.7
88.07553	79.7
89.05952	0.7
92.10261	1.5
99.11207	0.7
100.07531	2.6
104.07034	7.1
118.08617	2.5
129.16331	0.7
132.10175	18.8
137.05945	5.9
162.11215	5.2
166.10730	3.6
172.79521	0.6
182.19025	1.2
188.59119	0.7
214.21616	61.3
258.24197	22.5
288.25211	2.5
306.26315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	0.8
57.06730	0.9
57.07011	12.2
58.06527	4.4
60.47033	0.7
69.03342	0.9
69.06982	0.9
70.06511	43.0
71.08552	5.4
72.08057	4.0
84.08054	4.7
86.09631	5.6
88.07552	18.2
89.05914	1.1
93.81482	0.7
102.09109	8.2
118.73228	0.7
132.10173	14.1
137.05934	3.7
146.11725	12.2
156.17421	5.2
182.19023	1.7
189.87619	0.9
200.20050	25.0
244.22667	65.4
288.25217	1.4
306.26321	100.0
309.91687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	1.0
56.04971	0.5
56.78987	0.4
57.06770	0.6
57.07014	9.4
58.06530	0.7
66.64370	0.4
67.05418	0.5
68.04963	0.7
69.06977	0.7
70.06512	25.0
70.50063	0.6
71.08550	6.4
72.04422	0.6
72.08074	0.6
79.05399	0.5
81.06985	0.8
83.04926	0.5
83.66074	0.4
84.08079	3.9
85.02812	0.6
85.05176	0.6
86.09636	0.9
88.07554	28.2
89.05939	1.0
91.05391	0.7
95.08529	0.7
102.09132	3.8
106.08652	0.7
109.02840	0.5
109.10097	0.6
114.09115	12.8
118.08616	3.4
122.03586	0.9
127.03915	0.6
130.06487	2.0
130.08632	0.7
131.06837	2.7
132.10172	43.4
137.05957	11.3
162.11212	2.2
176.12788	6.6
186.18494	3.3
194.13860	9.5
200.20041	8.3
213.03426	0.5
218.21153	5.3
244.22704	0.7
246.80247	0.5
262.23676	4.2
306.26337	100.0
307.26575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	0.3
54.41839	0.3
55.05450	3.9
57.07013	2.5
57.60461	0.2
58.50187	0.2
67.05424	4.8
69.06989	5.5
70.06474	0.3
79.05383	2.2
81.06966	5.1
83.08542	0.6
85.05220	1.1
86.05978	0.6
88.07542	0.6
91.05412	1.1
93.06979	1.9
94.04117	2.8
95.08536	3.1
98.05982	7.8
105.06974	0.6
107.04914	4.0
107.05579	0.4
107.08532	0.7
109.10119	1.9
112.07539	0.4
114.09078	0.3
122.03603	8.6
126.09119	0.6
126.36906	0.3
133.10110	0.6
135.11621	1.1
137.05951	100.0
138.06311	1.7
140.10706	0.3
149.13193	0.3
153.12787	0.3
163.11223	0.5
170.15366	0.7
182.15314	1.1
194.11734	4.2
201.00652	0.4
208.17044	0.4
219.01738	0.4
250.17982	2.2
261.03241	0.4
276.10477	0.3
306.27832	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.1
55.05450	11.7
57.07014	7.8
58.80400	0.7
61.17265	0.6
63.92924	0.7
65.03867	1.0
67.05430	46.1
69.06999	10.0
71.08543	5.4
72.04430	100.0
76.34644	0.6
79.05420	9.6
80.99178	0.7
81.06976	38.7
83.08523	3.8
85.10109	0.9
87.06748	1.0
88.07554	1.1
89.05930	5.3
91.05403	3.0
93.06964	7.7
95.04900	0.9
95.08536	26.3
98.06007	0.7
100.07550	5.0
105.06978	1.6
107.07014	6.1
107.08545	5.1
109.10114	8.4
114.09135	8.1
117.24065	0.7
121.10093	3.2
122.02710	0.7
122.03610	4.6
123.11668	2.9
128.10666	5.0
131.08556	0.8
135.11638	1.3
137.05954	46.4
137.13266	0.9
138.06284	0.8
142.12228	3.3
153.03293	0.7
158.03372	0.8
170.15344	0.8
182.15363	1.4
184.16969	1.3
198.18555	1.6
212.20036	0.9
227.52600	0.8
261.22028	1.3
266.47882	0.9
302.51855	0.8
306.27829	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	307.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00575	0.1
68.93594	0.1
81.44556	0.1
84.04458	0.1
92.67204	0.1
94.13523	0.1
101.00797	0.8
101.01392	0.1
102.08652	0.1
119.01878	9.3
134.99849	0.5
137.02928	4.4
137.05930	0.2
140.98747	0.2
153.00923	0.5
158.99854	0.7
165.99655	0.2
177.00914	20.1
178.00970	0.5
179.01208	0.2
182.99803	0.2
193.04066	0.7
195.02028	0.9
200.02528	0.2
201.00842	0.9
217.04056	4.0
219.01971	33.0
220.02069	1.3
221.02031	0.5
225.00723	1.7
237.03133	0.2
242.03574	0.2
243.01924	3.6
261.03009	100.0
262.03159	3.0
263.03339	0.5
275.04581	0.3
279.04498	0.1
284.04617	3.6
321.82999	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	307.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04961	10.6
56.96495	10.9
58.99693	9.3
70.06492	48.9
71.59368	10.1
71.59789	9.5
86.09620	65.9
90.48872	10.2
95.05995	13.7
106.05066	14.5
125.07024	17.3
134.32469	10.4
143.08119	24.5
144.08455	17.5
224.62187	11.5
235.50011	10.5
241.88858	11.2
296.04590	12.6
307.07849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59278	0.8
51.68925	0.6
52.09227	0.7
53.03881	1.2
54.69131	0.7
57.03369	1.1
62.31070	0.7
65.75393	0.6
67.35840	0.6
69.03356	4.1
70.02868	1.9
70.06522	1.3
71.04907	2.0
74.05993	3.6
81.03336	3.1
82.02850	0.9
85.02832	11.4
87.00778	1.4
88.03934	1.4
90.00868	1.0
92.10197	0.8
94.06476	1.3
97.02843	1.6
99.04389	6.9
99.09193	0.8
103.03864	10.6
109.02841	1.7
127.03871	8.5
128.04939	1.2
130.06493	100.0
131.06850	1.0
132.04417	31.6
145.04924	1.3
146.05986	62.9
147.06346	1.2
157.07581	72.3
158.05978	96.8
159.06337	1.3
167.11838	0.9
173.07047	5.4
174.05469	3.5
175.08630	40.0
187.05928	1.1
188.07076	1.3
197.07021	0.9
199.08652	1.4
201.06557	5.3
203.08063	1.6
220.56602	0.8
221.09189	0.9
226.34654	0.8
243.07614	4.4
261.08670	23.2
289.08167	7.6
307.09091	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	307.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	5.0
54.81705	1.0
55.01802	2.3
55.05460	1.4
55.41664	0.9
56.04987	0.9
57.03367	4.9
61.02854	1.8
69.03348	17.0
70.06499	2.4
71.04912	9.3
74.05972	4.7
75.48762	1.1
79.05412	2.1
81.03349	17.6
81.06970	1.6
83.04865	1.2
85.02824	51.8
86.09623	1.3
87.00771	1.8
95.08516	1.4
97.02834	10.5
99.04382	43.7
101.02353	1.2
103.03878	62.4
105.06985	1.3
107.08531	1.8
109.02819	11.1
109.06434	1.6
110.07079	1.6
121.06467	2.3
127.03874	41.7
130.06487	97.9
130.54208	1.3
132.04413	30.5
135.18968	1.1
142.06674	1.1
145.04915	10.5
146.05962	17.5
147.04399	4.0
147.06404	1.8
157.06279	2.3
157.07578	61.2
158.05980	100.0
163.05972	2.4
163.07349	1.4
173.07066	6.4
175.08623	36.9
187.05876	1.7
188.07047	4.7
189.07397	2.0
197.07068	4.0
199.08601	1.5
201.06555	5.6
203.08151	2.3
221.09071	1.8
235.13223	2.3
243.07565	5.6
261.08649	16.3
272.71677	1.2
278.21909	1.2
289.08237	4.9
307.09195	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	12.2
54.81662	1.0
55.01804	1.9
55.05440	1.5
56.96486	1.5
57.03386	8.9
61.02853	6.6
64.32843	1.0
67.05426	2.5
69.03009	1.6
69.03352	35.2
69.06992	2.0
70.06511	13.6
70.83401	0.9
71.04906	12.1
71.52663	1.2
73.02816	6.9
73.07565	1.0
73.14695	1.0
73.15106	1.0
78.28477	1.1
79.05402	2.6
79.35699	0.9
81.03340	36.7
81.06951	1.5
83.06017	6.7
84.04425	5.8
84.08070	1.3
85.02830	99.5
86.03471	1.1
86.09606	5.5
87.04382	1.1
91.03843	1.4
91.05396	2.3
93.06994	1.7
95.04919	1.4
97.02834	28.6
97.06498	2.2
99.04389	80.3
100.02135	1.7
102.05472	1.8
103.03883	100.0
105.06943	2.3
107.08589	1.3
109.02828	21.6
109.06469	1.4
110.07108	1.1
122.05969	1.9
127.03875	82.5
130.06487	7.6
131.08540	2.5
132.04434	1.9
132.08017	1.7
137.05948	5.1
138.06332	1.3
142.47517	1.1
145.03990	1.6
145.04955	20.0
145.10095	1.6
146.05945	2.1
149.09589	1.7
157.07610	2.5
158.05981	6.4
159.09164	2.6
160.09578	2.3
163.05986	7.2
175.08656	1.2
187.05965	4.7
192.76755	1.2
194.12741	1.4
194.73126	1.4
204.11343	11.0
205.07076	2.4
217.06366	1.2
271.08374	1.1
314.71805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51023	0.1
53.03891	0.3
55.01826	0.2
55.05442	0.7
56.96508	0.2
57.03384	0.2
65.03855	0.2
67.05434	1.0
69.03354	0.8
69.07015	0.4
71.04938	0.3
77.03848	0.3
79.05396	1.2
81.03341	0.4
81.05747	0.2
81.06967	1.7
82.06493	0.2
83.04903	0.2
85.02832	1.6
91.05401	2.4
93.05716	0.2
93.06970	2.7
93.07523	0.2
94.06478	0.4
95.04877	1.4
95.07268	0.8
95.08523	0.4
96.08070	0.8
97.02824	0.4
98.97543	0.2
99.04383	1.3
103.03868	1.7
105.06985	0.2
107.12038	0.2
108.08086	1.3
109.02830	0.4
109.06437	0.7
110.09639	0.4
116.98567	0.2
122.05995	1.6
123.06775	2.3
124.07552	11.6
126.05448	1.3
126.09114	4.7
127.03884	1.4
133.10078	0.2
136.07556	91.7
137.05937	0.6
137.07922	1.2
138.09116	70.2
139.09468	0.3
140.07043	3.9
140.10687	0.2
145.04892	0.3
145.64333	0.2
150.05464	0.3
152.07043	14.0
158.06021	0.2
164.07030	100.0
165.07341	0.9
170.08122	2.3
180.90012	0.2
182.08087	13.0
223.37395	0.2
280.33835	0.2
289.15430	3.3
289.18344	0.3
307.16464	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	307.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09714	6.4
53.03889	6.0
55.01815	28.5
55.05455	97.0
57.03377	92.1
63.80850	6.9
67.05427	46.2
69.03354	12.7
69.06982	11.4
79.05405	90.4
81.03336	8.5
81.06970	64.2
83.08543	31.1
85.02835	7.8
91.05392	50.1
93.06974	32.4
97.10118	47.8
105.06948	15.2
107.04905	37.7
107.08534	37.5
109.10059	7.8
117.06953	37.9
119.08547	13.2
121.06500	7.7
125.09606	12.4
135.08028	31.5
137.05962	26.5
137.09544	8.0
153.09082	10.5
159.08047	49.3
226.92555	8.2
242.13670	7.8
271.16937	34.6
277.47018	7.8
289.17926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.1
55.01778	0.1
55.05457	0.1
57.07020	0.1
57.56718	0.1
58.02886	0.5
65.03838	0.1
66.04636	0.4
67.05433	0.6
68.05772	0.1
69.06985	1.9
70.07313	0.7
72.08071	0.1
73.75526	0.1
79.05399	1.2
80.05753	0.2
81.06987	1.1
82.07306	0.4
83.08547	0.1
84.08042	0.1
85.39069	0.1
91.05405	0.9
92.05708	0.2
93.06987	0.7
94.03580	0.1
94.04115	2.8
94.07301	0.2
95.04402	0.9
95.04961	0.1
95.08534	0.4
96.08881	0.1
97.06455	0.4
100.07554	0.2
105.06976	0.5
107.04887	0.4
107.08527	0.7
108.05243	0.1
108.08892	0.4
109.06472	0.4
109.10078	0.7
110.06776	0.1
110.10432	0.5
112.16259	0.1
114.09113	0.4
115.09441	0.1
122.03596	10.1
123.03936	4.9
126.09133	0.1
133.10068	0.4
134.10510	0.4
135.04402	0.1
135.11659	0.5
136.12006	0.6
137.05951	100.0
138.06288	54.5
139.06464	0.5
152.11430	0.1
153.12749	0.4
154.13116	0.4
169.17368	0.1
170.15353	0.5
171.15727	0.4
182.15343	0.9
183.15733	0.9
306.20850	0.1
307.20935	0.6
311.88858	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	307.2261
Annotation	Glanvillic acid A
Peak:m/z	Relative Intensity
54.86058	1.9
55.01823	2.8
55.05447	20.7
57.03357	3.0
57.07004	11.9
57.07256	1.7
57.89683	1.9
60.13661	1.8
67.05125	2.2
67.05427	20.4
69.06992	16.0
71.08532	4.5
79.05415	18.4
81.06973	24.1
83.08540	4.0
85.06468	3.0
91.05407	13.6
93.06970	17.2
95.04895	29.5
95.08510	21.7
97.06490	2.8
97.10120	3.2
97.88987	2.1
105.06979	18.5
107.08559	16.2
109.06467	59.8
109.10098	3.4
119.08537	10.7
121.06458	13.7
121.10131	5.3
122.03613	3.6
123.08024	2.6
131.08481	6.9
133.10115	4.6
135.08023	4.7
135.11665	3.2
137.05952	52.1
138.06296	31.7
145.10153	7.6
146.26985	2.2
149.09563	2.5
161.13196	2.9
164.10785	2.6
165.11314	3.3
165.12724	100.0
173.13211	3.6
177.12708	4.4
179.14273	2.3
181.00882	2.0
187.14703	2.4
191.14319	3.6
205.15753	2.5
213.00119	2.3
251.16307	3.8
261.22098	11.3
277.11658	2.1
289.21545	26.2
307.22604	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	1.7
55.05185	3.4
55.05454	100.0
56.04970	6.3
58.01463	1.8
58.99521	16.8
62.42516	1.5
65.11736	1.3
68.09266	1.4
68.99706	1.9
69.03372	1.5
74.00565	6.1
76.02142	82.3
76.56953	1.5
81.06973	3.7
81.41778	1.5
83.08545	62.8
84.04427	2.9
85.02842	2.5
86.02348	7.5
86.98972	2.7
87.00762	8.3
88.02151	1.8
88.03923	6.7
88.31683	1.4
92.35702	1.7
98.00581	2.3
99.04412	2.3
100.02143	20.8
100.03921	10.1
101.00568	3.1
102.00056	21.5
105.00039	8.3
105.06982	3.0
107.08544	6.4
107.92001	1.5
110.02353	3.9
115.05730	3.5
116.01627	3.1
117.00004	2.9
120.01131	14.8
122.02709	11.8
128.03418	23.8
129.07292	2.3
130.05028	1.7
130.06493	15.4
131.06821	3.8
132.08058	3.1
141.07321	3.6
144.01123	40.3
145.02888	2.5
146.04451	8.8
146.05864	1.4
148.00595	20.8
148.44711	1.6
156.02907	9.0
158.05989	1.9
158.07962	1.9
159.06323	5.9
159.08261	44.0
162.02171	57.0
170.05989	7.9
174.03955	60.5
185.07150	7.6
188.07065	2.0
190.01688	28.6
206.01254	1.9
208.02719	21.5
227.08101	2.4
245.09166	5.5
290.10593	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2581
Annotation	Fingolimod
Peak:m/z	Relative Intensity
50.69910	2.6
55.05440	22.0
57.07005	2.7
59.87640	2.5
67.05428	17.0
67.66508	2.7
69.06976	17.2
71.04903	19.6
71.08538	4.9
72.04429	82.7
79.05401	15.3
81.06985	30.8
93.06961	25.4
95.04894	3.1
95.08550	28.4
99.08013	4.3
105.06982	11.8
107.08526	16.9
109.06449	18.7
109.10121	11.7
114.09102	6.4
119.08539	4.8
121.10194	5.1
123.07978	4.2
128.10635	5.4
133.10110	6.6
135.65184	3.6
137.09604	24.8
165.12709	14.7
182.92274	3.0
238.21597	18.9
244.18999	3.2
263.20010	17.8
291.23126	33.2
308.25824	100.0
309.99503	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	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20596	2.3
53.47348	2.3
55.05189	3.3
55.05454	89.9
56.71038	1.9
57.07012	16.7
62.81232	2.4
64.56653	2.5
67.05431	36.4
69.06987	77.1
71.08543	4.3
72.04069	4.4
72.04434	100.0
79.05404	10.3
81.06979	48.9
83.08541	30.3
85.10101	2.6
91.05395	9.3
93.06953	10.8
95.08529	40.7
97.10105	14.1
100.07549	12.0
105.06996	4.6
107.08537	2.9
109.10110	16.1
111.08000	2.4
114.09093	17.2
128.10675	12.3
133.10059	5.5
135.11653	2.5
142.12241	5.7
156.13811	5.0
158.66364	2.3
167.46483	2.3
169.87529	2.2
170.15425	5.5
245.22609	3.4
247.84956	2.7
263.23547	2.8
308.29422	48.9
309.29590	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81917	1.2
55.05444	15.0
55.84645	1.0
57.07000	2.3
67.05415	7.3
69.06989	14.6
72.04427	100.0
81.06982	10.0
81.22534	1.2
83.08533	5.0
92.34447	1.2
93.06937	1.3
95.08520	7.5
97.10079	1.6
100.07520	3.8
101.97820	1.0
105.65134	1.2
109.10078	2.5
114.09109	6.6
114.37498	1.3
128.10666	5.3
141.12656	1.1
142.12206	4.6
170.15410	1.4
220.06560	1.1
284.32581	1.2
308.29413	34.7
308.81433	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24241	0.8
55.05450	17.3
64.77596	0.8
67.05430	7.8
67.84386	0.8
69.06989	16.9
72.04429	100.0
79.05396	1.6
81.06976	8.8
83.08531	5.4
95.08546	8.5
97.10080	1.9
98.05951	1.1
100.07573	1.7
109.10100	2.1
114.09105	8.7
120.12313	0.9
128.10678	5.7
142.12187	1.7
156.13858	3.9
171.48274	0.9
238.83553	0.9
242.74387	1.0
308.29410	32.3
309.29337	1.1
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
54.95244	0.3
56.04976	3.2
56.96495	0.4
61.49535	0.3
67.05426	1.5
69.03333	1.8
69.06982	0.4
70.06508	3.6
72.10923	0.3
79.05408	1.2
81.03343	1.9
81.06966	0.5
84.04430	57.9
84.08047	1.9
85.02814	2.4
86.32826	0.3
88.03905	0.3
90.64130	0.3
91.05404	4.7
93.06963	1.5
95.04925	0.7
97.02819	1.7
98.97561	0.4
99.04359	0.5
103.05410	9.7
105.03310	0.4
105.06986	0.4
107.04902	3.6
109.02830	0.4
109.10129	0.3
109.46225	0.3
110.07140	0.4
111.04337	0.3
116.07025	2.4
117.03339	0.5
117.07000	0.3
119.04897	8.1
120.08060	100.0
121.08405	0.5
127.03871	0.5
131.04880	3.7
135.04442	0.4
144.06532	7.1
147.04393	20.4
149.05968	1.6
151.03886	0.5
166.08601	21.4
178.37436	0.3
186.09116	6.6
208.02863	0.7
246.11252	2.8
291.13354	0.4
292.11783	3.0
309.14526	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	309.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47036	0.1
56.04973	1.5
65.93539	0.1
70.59974	0.1
71.35999	0.1
74.88921	0.1
84.04428	29.4
85.02824	0.5
91.05388	1.3
93.06986	1.2
95.03000	0.1
96.18394	0.1
99.75770	0.1
102.05489	0.7
103.05403	6.1
107.36192	0.1
116.84453	0.1
117.06928	0.2
118.06443	0.2
119.94529	0.1
120.08060	100.0
121.06459	9.4
121.08382	0.5
130.04984	1.9
130.06490	0.8
131.04897	2.4
131.06828	0.1
132.08046	0.2
135.08047	0.7
158.09633	0.3
159.06387	0.1
160.09508	0.3
163.07527	1.9
180.10161	19.4
181.10460	0.2
185.10753	0.1
186.07564	0.3
186.09102	5.4
218.11771	0.5
232.09645	1.9
246.11186	0.8
292.11716	1.9
309.14398	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	309.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	3.3
55.01802	1.8
55.05221	1.0
55.05455	18.4
57.03377	9.4
59.04928	3.9
61.02855	13.7
69.03353	24.6
69.06652	1.3
69.06989	23.0
71.04903	3.1
73.02824	5.8
76.57098	0.7
78.23461	0.7
81.03342	9.2
81.71336	0.7
83.08542	23.8
84.04443	0.7
85.02827	100.0
87.04379	2.9
91.03881	3.6
91.05406	1.0
95.72668	0.8
97.02822	21.9
99.04388	2.9
101.09591	11.5
109.02818	9.0
110.43744	0.8
110.55899	0.7
111.11658	6.4
115.03867	0.9
127.03883	14.2
129.12706	1.6
132.15880	0.7
145.04964	11.0
204.97261	0.8
267.13153	0.7
321.11334	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2053
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
55.01798	2.4
55.05450	2.0
57.03371	18.7
57.06987	0.8
58.02892	0.7
64.33427	0.6
67.05076	0.6
67.05426	11.9
69.06972	2.1
70.07302	1.1
71.04895	2.6
75.47341	0.6
79.05402	5.8
80.05711	1.0
81.06966	5.5
83.08531	0.7
85.05981	1.0
85.06461	17.3
91.05386	4.9
93.06959	3.4
94.04099	3.5
95.04909	18.0
95.08527	0.7
96.04650	0.7
105.06949	3.8
107.04880	0.9
107.08498	2.5
109.06438	8.0
109.10021	0.7
110.10394	0.7
113.05943	37.5
119.08530	0.9
121.10064	0.8
122.03583	10.0
123.03936	10.4
124.04095	7.0
125.04359	1.4
129.07045	0.7
131.08527	2.2
134.10406	0.8
135.08057	6.5
135.11664	2.2
136.06136	0.7
136.12048	0.8
137.05949	75.8
138.06287	100.0
138.12798	0.6
139.06483	75.7
140.06738	18.7
145.10167	0.6
145.37117	0.6
184.15979	0.8
217.15787	2.7
273.18390	2.4
291.19476	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	309.2057
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03891	45.1
54.81861	1.6
55.01808	14.6
55.05456	14.5
57.03380	4.0
63.91908	1.6
65.03875	1.8
67.05430	80.1
67.17634	1.6
67.49641	1.7
69.03333	3.3
69.06979	10.8
71.04904	16.6
76.56266	1.7
77.14355	1.6
79.05404	38.3
81.03339	97.5
81.06980	100.0
83.04899	14.0
83.08537	3.2
88.85720	1.7
91.05415	29.1
93.06968	51.8
93.69099	2.0
95.01253	2.2
95.04899	26.7
95.07952	3.6
95.08527	60.2
97.06470	6.7
99.08036	2.6
103.05422	2.7
105.06977	27.5
107.04913	38.8
107.08527	21.3
109.06450	17.7
109.88358	1.7
113.05989	2.4
115.24085	2.3
117.06954	26.4
119.08515	7.6
121.06492	14.3
121.10143	3.5
123.08019	40.9
129.06952	2.9
131.08540	18.8
133.06436	4.3
133.10101	7.9
135.08020	3.4
135.11681	27.9
136.06212	2.3
141.06958	7.3
143.08543	4.1
145.06488	26.5
145.10127	2.9
149.09554	2.4
149.13214	8.0
154.07738	3.5
159.08058	4.1
159.11688	21.3
161.09628	2.5
163.11028	2.9
169.10106	8.5
177.12685	15.7
187.11159	21.2
195.13724	13.1
217.15971	6.4
241.14307	10.2
268.22418	2.9
273.18411	8.3
291.19510	61.0
309.20551	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	309.2058
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.93038	2.5
54.81490	3.5
55.01809	10.8
55.05230	2.2
55.05449	29.0
57.03103	3.9
57.03373	100.0
58.93150	2.5
67.05119	3.3
67.05430	49.3
69.03345	3.5
69.06982	17.1
71.04899	7.2
79.05414	58.1
81.03329	4.9
81.06573	3.7
81.06980	65.8
83.04898	5.1
83.08524	12.2
85.06453	18.2
85.44051	2.7
91.05407	51.4
93.06965	56.4
95.04874	23.1
95.08540	34.5
97.06447	14.2
97.10080	3.0
99.08027	60.3
105.06975	47.7
107.04897	22.4
107.08537	32.5
109.06464	24.7
109.10107	11.6
111.08001	4.0
113.05918	3.1
115.05376	3.1
115.66659	3.1
117.06950	17.9
119.04912	2.8
119.08533	29.1
121.06435	16.0
121.10095	17.6
123.07986	4.7
127.07481	12.3
129.06950	13.1
131.08533	27.2
133.06522	4.6
133.10081	14.8
135.08015	18.9
135.11661	3.5
137.09544	3.4
143.08473	5.9
145.10094	21.7
147.08060	10.5
149.09642	4.2
155.08516	4.7
157.10127	6.7
159.11708	6.7
161.09564	6.3
163.94325	3.4
173.13208	13.7
175.11232	3.2
199.14824	4.8
201.12802	4.0
217.15852	6.0
219.13831	3.5
224.15746	3.6
227.17905	3.8
245.18889	3.6
273.18460	26.4
291.19495	40.3
309.12906	3.7
309.20529	16.5
332.83609	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	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.52457	2.2
55.01807	3.7
55.05452	20.4
57.03101	2.6
57.03374	72.6
57.06998	2.4
62.33240	2.2
65.03870	2.2
67.05433	30.7
69.06979	11.0
71.04887	3.6
73.18815	2.4
76.52468	2.2
77.98515	2.1
79.05404	38.1
81.06974	41.3
83.04878	4.6
83.08506	9.3
85.02830	2.4
85.06460	16.4
91.05399	21.2
93.06981	33.9
95.04884	15.8
95.08514	16.8
97.06455	15.7
97.10107	2.4
99.08028	100.0
105.06986	23.2
105.07549	2.6
105.95303	2.5
107.04892	19.5
107.08540	17.2
109.06468	11.0
109.10070	4.4
111.07993	3.1
116.40818	2.4
117.06954	10.0
119.08553	17.1
121.06427	13.9
121.10063	10.2
123.08003	5.5
127.07494	20.2
129.06885	4.2
131.08521	18.4
133.10098	4.1
143.08533	4.1
145.06483	3.4
145.10048	9.9
147.08032	3.0
147.11649	2.5
149.09598	11.8
157.10101	6.0
159.11685	3.7
162.91515	2.1
163.11169	3.9
163.41718	2.3
171.11674	2.5
173.13202	2.5
183.11673	3.2
219.13742	4.1
240.49071	2.7
273.18439	18.1
291.19534	42.7
309.20511	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03849	2.5
55.01804	19.5
55.05452	100.0
55.38092	3.0
57.03147	3.2
57.03379	63.6
59.04914	3.0
60.44367	3.4
66.95762	2.7
67.05123	3.8
67.05431	60.7
69.03368	5.4
69.06985	15.4
71.04922	3.4
71.58903	3.4
79.05400	70.1
81.03340	4.9
81.06979	72.9
81.98997	2.9
83.04891	13.1
83.08549	31.0
84.08042	4.0
85.06456	8.0
91.05407	51.8
93.06982	42.9
95.04887	21.8
95.08541	33.5
97.10096	28.9
99.08022	5.4
100.07533	5.9
100.11195	8.1
105.03334	3.6
105.06963	53.5
107.04873	32.2
107.08559	31.7
109.06432	30.6
109.10066	7.5
111.04401	4.8
117.06957	24.7
119.08530	39.8
121.06473	14.9
121.10081	8.1
123.07988	29.0
125.09585	21.5
125.83161	3.2
128.06178	4.0
129.07005	13.4
131.08542	21.0
133.10095	6.9
135.08017	18.8
136.06122	6.2
137.09529	3.4
139.03868	4.6
140.35855	3.2
140.62128	3.6
143.08517	5.7
145.10101	16.1
147.08014	25.6
147.11687	3.8
157.10085	6.8
159.08109	3.7
161.09541	6.4
182.15375	32.8
189.11157	13.9
197.21986	3.5
210.14807	23.0
217.15891	4.8
273.18442	39.4
291.19461	53.8
302.10507	3.4
309.25275	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	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01812	13.2
55.05455	75.3
57.03373	64.8
59.44600	10.1
59.78608	8.5
60.21307	9.4
67.05419	51.7
69.03359	9.8
69.06989	14.8
76.56090	9.3
79.05418	100.0
81.06570	9.0
81.06968	77.4
83.08527	21.1
91.05412	47.2
93.06988	24.6
95.04885	17.1
95.08537	18.4
95.20418	9.4
97.06448	13.5
97.10123	24.0
104.74445	9.1
105.06983	38.6
107.04902	17.4
107.08578	33.2
109.06486	25.0
117.07001	19.0
119.08577	19.6
121.10091	18.1
123.08027	41.2
126.69165	10.0
129.07007	10.7
131.08539	16.1
136.06140	16.5
137.83414	10.6
147.11638	10.4
151.89569	12.0
170.19638	10.6
190.63075	10.4
273.18326	12.8
291.19528	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03874	9.2
54.81270	1.8
55.01802	14.3
55.05455	28.8
57.03376	86.5
65.03857	2.1
67.05424	57.7
69.03345	9.0
69.06705	1.8
69.06993	29.8
71.04918	19.1
79.05411	56.1
81.03317	13.9
81.06515	3.2
81.06974	89.3
83.04886	13.0
83.08535	8.8
85.02821	10.3
85.06458	24.6
91.05408	46.8
93.06977	48.3
95.04897	30.6
95.08528	30.8
97.06458	10.9
97.10120	8.3
99.08025	100.0
101.92132	2.1
103.05431	2.9
105.06980	36.7
107.04908	27.1
107.08539	26.8
109.06467	35.7
109.10085	11.8
111.08022	3.0
117.06961	19.0
119.08556	22.8
121.06454	16.1
121.10118	17.1
123.08010	18.6
125.09596	2.4
127.07533	18.6
129.06949	8.6
131.08508	25.2
133.06430	4.9
133.10097	15.7
135.08046	14.9
135.11615	4.6
143.08549	3.5
145.06451	3.9
145.10104	16.3
147.08040	5.3
147.11635	2.5
149.09583	4.3
155.56871	2.2
157.10121	4.0
159.08025	3.1
159.11638	8.5
159.80505	2.2
161.09584	8.1
161.13257	2.5
163.11153	8.9
171.11644	3.1
173.13213	4.2
175.11079	3.2
184.76407	2.1
187.11092	2.7
199.14871	3.2
201.12726	3.6
217.15822	4.1
219.13834	3.8
231.16399	2.2
237.14798	4.2
245.18803	2.2
255.17259	2.3
257.54831	2.4
273.18411	28.1
291.19522	61.9
309.20468	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	309.2422
Annotation	Yaretol
Peak:m/z	Relative Intensity
55.01809	1.1
55.05453	25.2
57.03388	1.2
57.07010	6.2
67.05126	1.1
67.05431	20.2
69.06989	22.3
71.04906	4.4
71.08185	1.3
71.08546	20.9
72.04444	0.9
73.06468	0.8
74.70451	0.7
78.11931	0.7
79.05412	14.3
80.39610	0.8
81.06503	1.7
81.06976	36.7
83.04890	4.2
83.08509	8.0
85.06461	2.0
91.05386	8.2
92.10296	1.1
93.06377	1.0
93.06963	26.1
95.04892	8.2
95.08533	29.6
97.06471	9.5
97.10088	4.6
99.08020	9.1
105.06959	10.2
107.08541	17.8
109.06466	12.4
109.10110	9.6
111.08014	3.5
117.07000	0.9
119.05052	0.7
119.08533	8.6
121.06464	1.0
121.10099	7.1
123.08002	3.4
123.11655	1.8
123.67027	0.9
127.11153	0.9
131.08557	1.1
133.10103	3.3
135.11665	3.7
139.11098	1.0
143.08624	1.1
145.10156	0.9
147.11694	3.4
149.13258	4.2
153.12729	4.3
159.11729	1.1
161.13277	1.8
163.14722	1.7
165.12701	16.5
174.76614	0.9
175.14778	3.2
179.14282	1.4
193.15865	4.4
235.16901	3.7
291.23123	21.4
309.24185	100.0
310.24561	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	309.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49571	2.1
53.00246	3.9
53.03883	6.1
55.01807	9.7
55.05453	37.5
57.03368	9.9
57.07005	11.0
67.05427	81.3
69.03313	2.3
69.06989	40.3
71.04885	2.6
71.08550	78.2
79.05408	73.9
81.03332	11.1
81.06979	83.8
83.04892	26.5
83.08546	17.0
85.06467	2.9
86.20906	2.2
91.05405	49.8
93.06971	100.0
95.04903	24.7
95.08532	58.4
95.96697	2.4
97.06467	14.4
97.10092	5.8
99.08027	42.1
105.06973	30.9
105.37587	2.3
107.04887	11.8
107.08546	43.4
109.10085	18.5
113.09589	4.3
117.06932	3.1
119.08532	22.4
121.10091	34.1
123.11703	2.9
127.11124	2.8
133.10101	13.0
135.11673	34.6
137.09604	4.4
145.10141	3.9
147.11679	12.0
149.13248	5.5
151.11166	31.6
152.73116	2.8
152.84251	2.1
153.12733	5.3
161.13243	14.2
161.58766	2.6
163.11127	14.8
167.10599	3.5
174.93674	2.4
177.12697	3.1
179.14291	90.0
179.15852	3.8
221.15399	2.5
277.21591	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	309.2419
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03885	29.2
55.01802	9.5
55.05447	38.0
57.03356	3.9
57.07011	7.5
63.45065	1.7
67.05074	3.4
67.05425	76.9
69.06985	56.7
71.04894	2.6
71.08537	2.1
79.05405	53.6
81.03335	100.0
81.06972	67.0
83.04897	25.2
83.08524	13.3
85.10060	2.1
91.05402	26.4
92.10221	2.4
93.06968	50.9
95.04893	53.3
95.08530	24.1
97.06488	3.0
97.10084	4.8
105.06966	25.7
107.04886	2.6
107.08537	29.9
108.91215	2.4
109.06492	14.7
109.07137	1.8
109.10098	15.5
119.08546	13.2
121.10081	3.9
123.11625	3.8
125.09599	13.0
129.07005	2.0
131.08519	3.5
133.10092	17.0
135.08052	2.3
135.11652	3.7
143.08504	2.1
147.11647	9.9
149.13174	2.1
151.11150	40.5
161.13269	8.4
165.12740	10.4
171.11627	2.7
175.14688	2.8
179.14230	2.4
231.21059	7.1
241.19513	2.0
259.20377	2.8
277.21582	79.2
278.21921	2.1
309.24088	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	310.3102
Annotation	Hexadecanoylpyrrolidine
Peak:m/z	Relative Intensity
54.81839	0.8
55.05447	6.5
57.07005	5.5
67.01292	0.6
67.05418	0.7
69.06989	8.3
71.08542	1.2
72.04431	100.0
79.05453	0.6
83.08541	4.4
85.30058	0.6
95.08565	0.8
97.10101	2.6
100.07537	1.5
114.09134	9.0
128.10667	3.6
142.12250	3.4
156.13803	1.1
243.44138	0.6
244.90659	0.7
310.30963	50.6
311.31137	1.2
326.38412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.31
Annotation	Oleoyl Ethyl Amide
Peak:m/z	Relative Intensity
55.05437	1.5
56.85364	0.5
57.07011	5.9
70.06506	0.8
71.08544	3.1
72.04409	2.6
72.08068	38.2
72.17309	0.5
78.16904	0.6
86.39576	0.6
98.05972	1.2
104.33369	0.7
110.21696	0.7
128.10727	0.7
136.53362	0.6
142.12224	3.2
279.85825	0.8
305.37799	0.7
310.30972	100.0
311.31320	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1235
Annotation	gamma-Glutamyltyrosine
Peak:m/z	Relative Intensity
56.04973	4.2
63.58227	0.7
65.48325	0.7
75.17961	0.7
84.04429	80.7
87.96995	0.7
91.05401	22.3
95.04888	11.9
102.05484	1.5
103.05427	1.0
107.04970	1.0
108.96403	0.8
119.04895	39.9
123.03477	1.9
123.04382	59.1
130.04970	9.1
135.47061	0.7
136.07552	100.0
147.04390	22.3
165.05446	46.4
182.08090	35.0
202.08563	12.4
248.09109	4.5
277.94730	0.8
294.09613	4.4
311.12378	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	311.1235
Annotation	gamma-Glutamyltyrosine
Peak:m/z	Relative Intensity
50.16754	0.7
50.59377	0.8
54.35720	0.8
56.04969	3.5
57.44408	0.7
58.69514	0.8
67.74062	0.7
83.95959	0.9
84.04426	85.4
91.05403	24.3
95.04900	12.2
102.05476	1.3
107.04856	1.0
119.04897	42.5
121.06464	1.4
123.04380	62.8
130.04944	9.6
136.07550	100.0
146.11389	0.9
147.04381	26.0
165.05424	51.9
182.08092	35.8
202.08606	15.2
248.09152	4.7
294.09604	5.9
311.12289	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	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03875	1.7
55.01802	2.4
55.05452	22.1
57.03374	17.3
57.28255	1.3
58.01645	1.3
59.04931	1.7
64.33398	1.6
65.03855	3.1
67.05428	96.3
69.03340	10.9
69.06989	20.0
71.04919	13.5
73.44815	1.5
79.05408	62.2
81.06975	100.0
83.04881	3.2
83.08520	10.2
85.06474	20.8
91.05405	44.4
93.06976	66.1
95.04891	7.5
95.08537	78.1
97.06454	7.4
97.10127	2.0
105.06973	57.3
107.08539	39.7
109.06487	17.1
109.10113	17.9
111.08027	2.9
117.06978	17.2
119.08530	35.1
121.06448	1.9
121.10098	21.0
123.08011	2.9
129.06961	10.4
131.08537	39.8
133.10097	19.0
135.07985	2.4
135.11620	7.0
141.06972	2.0
143.08521	6.8
145.10071	25.3
147.11658	22.8
149.09550	6.3
149.13289	7.0
155.08539	2.4
157.10077	3.9
159.11642	20.6
161.09492	1.7
161.13211	9.7
163.11078	5.0
171.11621	2.9
173.13214	23.5
175.11185	2.1
175.14784	2.2
183.11650	2.0
185.13213	10.5
187.14799	6.0
191.14352	5.1
197.13176	2.1
203.14281	9.3
205.15939	1.7
209.15324	10.7
219.17383	19.2
221.15303	7.8
239.17827	3.6
247.20453	2.2
257.19000	14.0
275.19998	69.8
293.20993	13.6
330.03772	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.00245	1.6
53.03880	1.8
55.05455	14.2
57.03374	17.4
59.33648	1.3
62.69851	1.4
67.05425	44.0
67.77881	1.3
69.03342	2.0
69.06990	15.0
71.04910	9.7
79.05406	45.1
79.11285	1.4
81.06973	100.0
83.08530	8.3
85.06512	2.1
89.05942	1.9
91.05405	26.1
92.10825	2.2
93.06977	47.8
95.04892	8.3
95.08532	57.7
95.84277	1.5
97.06453	2.5
97.10133	2.2
105.06973	24.3
107.08552	22.7
109.06471	6.1
109.10095	9.6
115.07544	2.2
117.06964	10.5
119.08548	24.5
121.10040	11.0
129.06946	8.2
131.08504	16.0
133.10089	13.5
135.11668	2.1
143.08534	2.7
145.10092	8.7
147.11642	7.1
149.09579	2.4
149.15750	1.7
157.10040	1.7
159.11647	3.8
161.13197	6.3
163.11240	2.6
173.13208	3.2
175.14792	1.8
185.13251	10.0
203.14352	3.0
215.68906	1.8
219.17404	3.7
221.15343	9.0
223.16940	2.7
230.65999	1.6
239.17845	2.1
257.18961	5.8
275.19974	23.5
333.69208	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00220	1.2
55.01781	1.9
55.05233	1.5
55.05455	37.8
57.07017	18.0
67.05430	49.5
69.03334	1.8
69.06989	79.8
71.08532	3.6
79.05411	15.9
81.06974	97.3
83.08538	35.2
84.04403	2.0
85.06461	7.4
85.10104	2.4
91.05392	6.3
93.06964	22.8
95.04899	2.2
95.08534	100.0
97.10113	18.4
99.07988	3.5
105.06947	3.0
107.08554	18.7
109.06469	1.4
109.10102	58.8
111.04329	1.5
111.11662	9.2
113.09603	2.6
121.10062	10.6
123.04369	1.7
123.11662	22.0
132.89372	1.4
133.10094	1.8
135.11661	7.7
136.07532	1.7
137.13213	6.9
138.58420	1.4
149.13217	10.6
151.14771	6.1
155.14459	1.7
163.14732	3.8
165.16243	1.6
177.16379	2.1
275.20224	1.7
275.27179	6.3
293.21030	2.6
311.21768	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	312.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	2.7
53.63886	0.7
55.01812	5.0
56.03909	0.7
57.03373	8.1
60.34600	0.7
61.02855	12.6
69.03354	21.0
69.06992	11.5
70.06511	4.9
71.04912	4.9
73.02483	0.7
73.02816	5.6
81.03333	12.6
84.04435	1.8
85.02830	100.0
87.04395	3.7
87.08036	16.7
91.03896	4.1
91.05424	1.0
97.02821	29.1
97.06445	1.0
99.04399	4.5
103.03897	0.8
109.02813	8.9
110.07121	1.4
115.07529	6.8
127.03881	19.7
133.08594	3.4
136.07616	0.8
145.04939	21.9
163.06006	5.1
165.05563	0.8
167.06953	0.7
174.89339	0.7
177.89499	0.7
205.06940	1.3
213.16373	0.7
229.03839	0.8
236.96741	0.8
237.13945	0.8
289.90363	0.8
295.01581	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21345	0.6
53.03871	1.0
55.01813	3.1
55.04066	0.7
56.96508	0.8
57.03381	7.4
60.51288	0.6
61.02863	14.6
62.64323	0.8
69.03355	21.7
69.06987	11.0
70.06519	3.7
71.04906	1.4
72.07072	0.7
72.40839	0.7
73.02826	4.9
77.92826	0.7
81.03338	8.3
83.01296	0.9
84.04406	1.8
84.08077	4.5
85.02833	100.0
87.04398	4.0
87.08035	15.4
91.03889	5.2
97.02824	24.7
99.04408	5.2
109.02839	9.8
115.07555	1.7
118.09902	0.7
120.07975	0.9
123.04453	0.8
127.03878	17.8
133.08618	3.0
136.07545	1.0
145.04947	21.9
163.05986	5.5
165.07057	0.8
172.91383	0.7
180.38898	0.8
223.80435	0.7
232.10173	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35742	0.1
60.05582	1.7
69.59369	0.2
70.06504	3.8
72.08062	0.8
84.77530	0.2
94.06509	1.9
96.04431	0.2
110.06004	1.9
116.07040	1.4
118.08670	0.2
130.09746	0.5
136.07527	0.3
138.05475	100.0
139.05824	0.3
158.09225	0.3
175.11871	3.3
185.60257	0.3
230.91968	0.2
233.82344	0.2
320.40552	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	312.2166
Annotation	YM 47515
Peak:m/z	Relative Intensity
53.15662	1.6
54.81861	1.8
55.05447	36.1
56.15268	1.8
56.96492	2.5
57.03352	2.4
57.07014	3.7
59.04916	1.9
59.17900	1.7
61.76519	1.5
67.05422	29.0
69.03333	2.4
69.07001	12.8
70.73582	1.7
71.04900	4.2
71.08560	1.6
79.05405	23.8
81.06971	41.4
83.04885	20.8
83.08539	25.1
84.08037	4.2
85.06452	2.9
91.05390	11.8
93.06973	42.4
95.04888	3.5
95.08544	13.6
95.59425	1.6
96.08865	2.0
97.06461	38.4
100.07546	3.7
100.20097	1.7
105.06918	2.4
107.08537	45.4
109.10086	11.5
111.04371	9.9
116.98643	2.1
121.10098	19.2
129.05444	2.5
131.04881	7.2
147.11603	2.1
149.13231	91.2
153.01799	11.0
167.14297	16.6
175.42053	1.9
184.16924	72.2
192.13939	2.0
198.48273	1.9
215.07056	4.1
250.21451	7.6
252.19539	2.1
257.08002	4.1
266.21063	100.0
271.05908	34.0
272.06293	2.2
276.19745	2.5
294.20575	78.4
312.21500	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	312.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
84.92760	1.9
91.05396	2.4
91.43993	1.4
104.15614	1.5
177.22418	1.5
186.46246	1.5
201.07967	1.6
220.36676	1.4
269.89343	1.5
312.25031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93573	4.2
55.05453	5.1
56.96505	7.2
57.94368	3.7
67.05421	15.8
69.06982	22.5
71.04925	6.6
71.08547	100.0
79.05420	5.6
80.11052	3.7
81.06979	31.5
83.08526	19.6
86.87552	4.0
91.05409	7.2
92.62624	5.1
93.06976	7.9
95.08535	44.8
97.06440	6.4
97.10065	7.3
99.08022	58.7
105.06973	8.0
107.08558	4.8
109.10098	17.1
111.52075	4.0
119.08545	7.8
121.10103	9.2
121.20158	4.1
128.53952	4.6
133.10059	17.3
135.11610	6.9
143.92969	4.0
145.10124	4.5
147.11752	4.4
151.14799	8.3
189.15903	4.4
214.17973	28.4
215.16389	39.3
255.06462	7.6
255.74048	4.5
259.20361	4.8
261.01318	4.9
271.05969	5.8
277.21671	8.8
312.25183	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	312.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60705	2.6
55.01804	8.3
55.05448	45.4
57.07002	7.1
67.05426	100.0
67.27039	2.7
69.06698	2.7
69.06983	44.0
71.08539	7.3
79.05408	61.7
81.06977	85.9
83.04913	3.5
83.08534	20.0
85.02829	4.9
85.06465	3.9
85.78528	3.5
91.05394	34.1
93.06960	62.0
95.04891	4.5
95.08534	65.5
97.06472	13.2
97.10071	4.8
105.06976	32.8
107.08542	37.6
109.10116	24.9
117.07000	3.6
119.08514	17.2
120.87469	3.4
121.10095	16.9
123.08031	54.7
123.11685	7.1
131.08514	5.5
133.10124	16.8
135.11639	19.3
147.11639	4.5
149.13167	5.4
157.12080	5.5
179.98607	3.2
180.54076	3.2
277.21591	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	312.326
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
52.97716	0.5
55.05455	1.4
57.07019	27.6
67.05417	0.7
69.06982	4.0
71.04904	1.1
71.08551	6.1
72.04426	1.0
74.06003	5.5
83.08533	2.5
85.10103	1.4
88.07558	17.7
95.08539	0.7
100.07558	1.1
102.09129	11.1
109.10112	0.6
114.09164	0.8
116.10675	3.6
130.12256	1.1
144.13858	1.4
158.15419	0.7
251.11935	0.6
256.26306	53.1
257.26587	0.9
312.32565	100.0
313.32956	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	312.3258
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
55.05438	0.8
57.01405	0.7
57.07009	13.3
60.35658	0.7
67.05410	0.9
71.08543	6.3
72.04395	1.4
74.09629	48.5
80.22692	0.8
85.10101	3.6
100.07552	1.4
137.38826	0.8
144.13873	1.0
312.32538	100.0
313.32806	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	312.3258
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
53.03242	0.7
54.81426	0.8
55.05430	1.3
57.07010	11.2
64.33016	0.9
66.67065	0.7
69.06988	1.0
71.08541	3.5
72.04427	3.4
88.07537	0.9
99.08119	0.8
102.09104	5.1
104.07228	0.9
111.62460	0.8
112.14350	0.8
116.10646	7.4
128.06458	0.8
130.12270	1.8
135.47192	0.8
144.13837	1.0
150.77196	0.9
211.06096	0.8
294.08414	1.0
312.32544	100.0
313.32965	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	312.3257
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
57.07015	9.1
58.91762	0.5
71.08530	2.8
72.04432	8.3
81.54939	0.5
88.60432	0.5
95.08558	0.5
100.35263	0.6
102.09109	3.6
109.10114	0.6
116.10712	4.6
130.12262	0.9
139.41394	0.5
147.01176	0.6
174.61981	0.5
181.51143	0.5
199.87860	0.5
213.56503	0.7
243.66505	0.5
312.32547	100.0
313.32883	4.3
319.81711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.9804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84624	1.6
60.10224	1.8
74.76403	1.8
86.59923	2.0
92.10823	2.7
107.29699	2.2
110.05984	3.0
120.90843	2.0
138.05476	100.0
139.05843	15.5
139.21304	2.0
173.42136	2.2
268.08542	2.5
312.97928	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	313.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01796	0.3
55.05444	0.2
56.96494	0.2
58.48826	0.1
61.02925	0.1
69.06980	0.2
70.06493	1.4
79.05402	0.3
80.04914	0.2
82.06493	0.2
84.04408	1.0
84.08072	0.8
86.09614	1.2
91.05408	1.0
95.04920	0.3
97.02826	0.3
98.97513	0.2
103.05390	1.2
107.04903	0.2
108.04385	0.2
109.02856	0.3
110.05997	1.3
110.07118	3.3
115.05391	2.1
117.05717	0.2
117.06980	1.9
118.06489	25.3
119.06779	0.2
120.08050	2.9
121.08386	0.3
125.05933	0.4
126.05471	100.0
127.03825	0.2
127.05797	1.2
129.10161	0.2
130.06490	23.8
131.06842	0.4
136.03909	16.0
138.05472	54.4
139.05849	0.8
142.06511	5.1
143.07304	2.7
144.04378	0.4
144.08054	12.3
145.06418	0.2
145.08435	0.3
146.05981	45.8
147.06319	0.7
150.05478	2.5
152.07019	1.5
154.05016	0.2
160.07567	0.8
163.11230	0.2
166.04961	3.7
166.06207	0.3
168.06273	0.2
170.05968	15.6
182.04457	2.2
184.06010	26.2
185.06320	0.3
188.07025	21.0
189.07343	0.7
196.06024	1.1
201.69922	0.2
224.07175	0.2
267.08621	0.2
267.11063	1.5
269.08926	0.8
313.11749	50.4
314.12006	1.7
336.28064	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	313.2369
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.00241	2.6
55.01812	3.8
55.05447	26.3
56.27557	1.7
57.03362	9.4
57.06743	1.8
57.07011	44.6
59.04918	1.8
59.44776	1.6
60.14336	1.9
62.91533	1.5
67.05429	19.4
69.06982	34.7
71.04901	2.0
71.08544	47.6
73.06451	1.8
79.05402	13.0
81.06972	30.2
83.04890	7.5
83.08542	4.8
83.46454	2.0
85.10092	10.8
87.04395	4.6
89.05830	1.9
93.06947	22.2
95.08514	19.0
97.06458	9.9
97.10094	10.3
99.08010	24.7
107.08541	3.2
121.10084	9.2
139.11140	9.2
157.12210	100.0
241.66068	1.9
272.30731	2.0
307.33875	2.3
313.27322	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	313.2369
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.05443	32.1
57.03360	23.9
57.06995	5.9
58.86893	3.5
59.33778	3.7
67.05127	4.8
67.05427	80.2
69.03321	4.1
69.06985	40.6
71.04904	21.7
79.05398	73.9
80.38004	4.3
81.06968	100.0
83.04838	4.0
83.08532	17.8
85.06458	5.1
89.55143	3.9
91.05399	49.3
91.36549	3.9
93.06970	78.5
95.04852	4.5
95.08528	85.2
99.08099	5.6
100.05796	4.0
105.06966	29.1
107.08543	52.5
109.06414	7.5
109.10096	26.5
111.08078	5.2
114.35703	4.1
117.07012	7.0
117.94877	4.6
119.08508	27.9
121.10074	32.7
122.95441	4.0
123.11600	4.4
125.09663	4.4
131.08472	18.5
133.10104	10.1
135.11671	24.9
145.10098	9.0
147.11632	6.4
149.13177	7.8
164.01518	3.8
170.34024	4.4
173.13177	16.8
178.02817	4.6
187.14743	5.2
189.16577	5.4
277.21515	36.5
330.15793	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2374
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
55.01812	28.5
55.05452	71.9
57.07014	8.7
67.05429	92.0
69.03381	6.6
69.06979	41.1
71.04901	6.3
71.08543	10.5
79.05419	57.3
81.06984	100.0
83.04886	24.7
83.08544	27.9
85.06481	6.8
91.05408	44.4
92.10931	12.8
93.06989	53.8
94.27736	5.7
95.04916	7.4
95.08544	54.6
97.06477	30.3
97.10085	8.8
99.08038	8.3
105.06984	47.6
107.08552	27.1
109.10107	43.0
111.08018	7.9
119.08540	27.5
121.10099	30.7
122.13740	5.8
123.11617	7.6
125.09567	7.1
128.07993	6.1
133.10074	12.2
135.11676	7.6
147.11635	10.6
149.13190	7.1
151.11223	9.2
205.05853	6.4
220.89931	6.2
274.07034	7.2
277.21716	43.6
295.22543	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	313.2372
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
53.00243	4.7
54.81601	2.0
55.01805	1.9
55.05458	18.0
56.44562	1.5
56.96502	2.5
57.03374	15.2
57.07010	61.1
58.34014	1.8
59.04897	1.7
65.26607	1.6
67.05418	26.3
69.06995	18.8
71.04908	4.6
71.08547	100.0
79.05396	12.5
81.06968	35.5
83.04874	1.9
83.08527	12.9
85.10092	16.0
88.67764	1.9
91.00120	1.7
91.05409	7.6
93.06987	21.1
95.08521	31.9
96.56669	2.1
97.10084	7.6
99.04425	2.2
99.08027	47.8
105.06958	4.0
107.08530	3.7
109.10089	17.3
121.10088	9.5
123.08028	2.3
133.10078	3.7
135.11642	4.2
149.13237	2.6
151.67862	2.0
161.13203	2.4
166.48669	2.1
197.15331	20.3
257.66315	2.1
271.12631	1.8
277.21591	12.6
295.22543	14.9
313.23663	2.8
313.27295	57.6
336.38916	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12180	2.3
55.05456	28.7
56.96494	3.0
57.07022	2.5
67.05424	14.6
69.03363	2.8
69.06991	32.1
71.08544	23.3
76.56248	3.0
79.05408	15.0
81.06962	30.0
83.04929	4.5
83.08536	5.0
93.06966	14.3
95.08517	16.6
97.06454	12.1
97.10108	4.3
99.08018	18.0
107.08531	3.5
109.10099	3.4
121.10097	6.0
123.16425	2.5
136.60968	2.3
139.11113	6.3
157.12199	100.0
157.13480	3.8
161.01215	4.5
164.62254	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	313.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53840	2.4
53.00221	3.0
55.05442	15.4
56.96498	4.3
57.03370	19.2
57.06736	4.6
57.07009	100.0
65.03876	2.6
67.05428	23.5
69.06991	17.9
71.08544	48.9
79.05387	3.4
81.06980	24.9
81.07376	2.5
83.08535	15.1
83.61628	2.3
83.67950	2.4
85.10110	24.0
95.08542	27.3
97.02837	2.5
97.10138	3.2
102.10442	2.6
109.10096	13.7
123.11637	3.7
123.29270	2.3
133.73323	2.4
224.82864	3.0
313.23672	6.6
313.27271	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	31.6
57.03365	8.9
57.07019	54.2
67.05426	20.3
69.06991	32.0
71.08542	45.8
79.05425	4.5
81.06989	33.7
83.08534	4.6
85.10108	9.1
90.39738	3.6
92.10315	6.3
93.06978	20.5
95.08543	28.1
96.58501	4.0
97.06490	5.7
97.10083	4.7
99.08011	23.6
109.10094	5.0
121.10098	7.2
139.11197	4.0
157.12209	100.0
173.74547	4.3
313.27341	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00250	2.8
55.05268	1.6
55.05452	25.5
57.03169	1.7
57.03373	26.4
57.06738	3.7
57.07011	100.0
58.24897	1.8
61.08487	1.9
63.48948	2.2
67.05424	25.0
69.06985	17.7
71.08553	51.5
76.18971	2.2
79.05402	10.4
79.97128	2.2
81.06979	28.1
83.08533	15.0
85.10100	21.8
91.05423	3.8
92.64284	3.1
92.90987	2.5
93.06969	10.0
95.08534	25.2
97.10076	4.4
105.06950	3.0
107.08512	2.9
109.10115	11.3
119.08537	3.2
121.10121	4.2
160.33118	2.3
211.49477	2.3
295.22470	2.7
303.70947	2.2
313.23672	3.0
313.27298	90.7
316.11502	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	314.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31968	0.2
52.27631	0.2
55.05460	0.2
56.04961	0.3
56.96485	0.4
57.03367	1.5
60.80660	0.2
61.01092	0.5
62.06020	3.4
66.14513	0.2
69.03354	1.6
69.06996	0.4
70.06505	1.8
71.04903	2.4
72.38573	0.3
75.02641	0.2
75.73936	0.2
77.00101	0.2
81.03368	0.2
81.06975	1.6
84.04435	7.7
84.08048	1.2
85.02826	1.6
85.04766	2.7
86.03505	0.4
86.04848	0.3
86.98957	0.2
88.28867	0.2
91.05415	1.6
92.05744	1.3
94.03989	0.4
95.04900	1.0
96.05259	0.3
96.13194	0.2
97.02824	33.5
98.03132	0.3
99.07443	0.4
99.08030	6.5
107.04902	0.2
110.07098	0.3
115.02162	0.3
117.09106	1.8
119.03520	0.5
119.04904	2.6
120.05238	2.3
121.05529	1.0
122.05715	0.3
123.04391	4.0
124.04728	2.9
125.04868	2.0
126.05212	0.4
130.04926	0.5
131.05319	0.3
132.05365	0.3
135.10141	2.1
136.06166	100.0
136.07445	3.6
137.04553	1.1
137.06532	0.4
137.07916	4.9
138.08160	1.5
139.08420	0.3
143.01601	1.2
147.04382	1.1
148.04713	1.7
148.06029	0.7
149.05032	0.4
155.51332	0.2
164.05640	4.7
164.11703	0.2
165.05434	1.9
166.05817	1.3
167.05960	2.5
167.07285	0.2
168.06252	1.0
178.07294	1.6
179.03726	0.5
181.04980	0.3
182.08087	0.9
183.08408	1.0
184.08591	1.6
185.08893	1.0
203.08968	0.9
204.09186	0.3
205.09364	0.3
248.07745	0.3
250.09566	0.5
278.06982	0.3
282.19495	0.2
296.08124	1.4
297.10623	0.3
314.09174	4.2
314.12802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28926	0.6
54.81651	0.8
55.05439	2.9
55.36313	0.5
57.07011	19.4
58.06522	1.1
59.14722	0.5
59.64023	0.5
62.06007	4.5
67.05419	4.5
68.69162	0.6
69.06970	1.4
71.08547	13.3
71.69609	0.5
72.08060	3.1
77.75713	0.6
81.06963	6.7
83.08548	1.1
85.10100	3.3
91.05381	1.6
91.14343	0.7
93.06971	1.0
95.04855	0.8
95.08528	4.5
96.56785	0.6
99.08004	4.0
105.07005	1.1
107.08505	1.1
107.77967	0.6
109.10104	1.1
113.09612	0.7
115.64516	0.7
116.98586	1.1
119.08533	0.8
121.10105	0.8
127.11159	0.7
133.10095	0.9
137.80893	0.6
142.21886	0.7
147.11635	2.8
156.17477	2.7
165.12814	0.7
174.18546	8.7
184.20580	2.4
202.21623	6.1
279.23120	9.6
296.29559	1.4
296.32910	1.2
297.24344	1.0
314.34106	100.0
315.34402	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	315.2527
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
52.83400	1.0
53.00242	2.4
54.81273	1.1
55.05446	23.3
57.03362	1.6
57.07014	15.5
67.05425	93.7
69.06985	22.3
71.04918	1.8
71.08543	27.4
79.05405	21.6
81.06972	100.0
83.04890	2.8
83.08533	11.7
85.09712	1.3
85.10110	22.4
91.05405	14.9
93.06973	24.8
95.08530	73.5
97.06487	4.9
97.10090	2.4
98.97511	5.1
99.08006	16.8
105.06969	13.3
107.08531	18.0
109.06406	1.7
109.10102	19.5
111.11678	1.6
112.22630	1.4
113.09579	17.5
116.98562	7.4
117.06942	1.5
119.08566	10.6
121.10074	8.6
123.11604	6.3
131.08517	6.2
133.10107	11.7
134.99614	8.7
135.08073	1.3
135.11644	7.8
137.13245	3.1
145.10069	2.4
147.11652	10.9
149.09641	1.8
149.13220	7.9
151.14749	1.7
159.11624	1.6
161.13185	2.4
163.11108	2.3
163.14702	2.8
165.12689	3.0
167.14223	1.9
173.13155	2.3
187.13229	2.4
217.19629	1.6
221.83336	1.4
223.16840	2.2
227.54042	1.4
243.20984	5.3
261.22086	8.4
268.94238	2.8
273.83969	1.2
279.23126	52.0
280.23553	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2527
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
55.01804	3.9
55.05191	2.4
55.05452	53.3
56.96496	1.7
57.03364	2.1
57.06994	6.8
57.38883	1.3
59.04933	1.4
62.00846	1.5
65.03866	1.6
67.05079	3.2
67.05425	85.2
69.06987	51.2
71.04891	7.2
71.08537	1.8
72.18398	1.4
73.06476	2.2
74.26607	1.4
79.04964	1.6
79.05411	34.7
81.06509	3.3
81.06976	100.0
83.04906	8.0
83.08543	16.2
85.06449	3.0
86.91534	1.6
87.04407	13.5
88.07561	1.8
91.05398	13.2
93.06969	37.1
95.08530	61.5
97.06468	13.5
97.10100	17.9
98.97528	7.5
102.09118	1.8
105.06969	8.3
107.08538	26.3
107.92014	1.8
109.06456	2.9
109.10110	25.6
111.11663	1.5
116.98566	6.6
119.08545	9.2
121.10083	25.1
123.07986	1.7
123.11676	13.0
125.09631	6.3
131.08540	7.9
133.10072	2.3
134.99605	6.1
135.08083	1.8
135.11687	11.6
137.13239	6.5
139.11183	7.6
145.10042	3.4
147.11644	3.4
149.09613	1.9
149.13261	1.8
153.00603	2.2
159.11681	2.0
165.12782	3.8
173.13206	3.7
185.11826	1.8
188.77647	2.0
207.74660	1.7
256.26312	7.1
261.22128	6.9
262.74719	1.6
279.23145	35.4
284.78644	1.9
292.98355	1.8
297.24292	2.4
316.28400	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	316.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	0.8
55.05439	1.4
56.04977	3.4
67.05421	2.2
69.03339	1.5
70.06509	1.1
75.13844	0.9
75.79802	0.8
79.05402	4.1
81.06960	1.6
83.02851	0.9
84.04429	68.0
85.02834	1.4
86.09622	8.6
88.03925	1.1
90.30017	0.9
91.05407	3.5
95.04906	1.6
97.02801	1.5
107.04904	1.8
107.08582	0.8
109.02785	1.1
109.10109	4.8
111.05505	3.6
115.05425	5.2
116.98550	0.8
117.05696	1.2
117.06992	1.4
118.06490	22.5
119.01899	6.2
119.08485	1.2
121.06458	1.0
125.07079	13.7
126.05441	1.7
126.66349	0.9
127.03878	0.9
127.05798	1.0
128.06020	1.2
130.06494	91.4
132.08060	40.7
132.09070	1.7
137.02875	1.2
137.09634	6.7
139.04941	6.5
142.06503	5.6
143.07295	1.9
144.08058	24.7
145.10043	1.2
146.05991	83.6
147.06416	1.1
151.94493	0.9
153.06529	5.6
158.06062	1.3
159.09148	32.8
160.07524	1.1
161.02904	3.8
161.09628	2.0
165.09082	2.1
169.07585	10.1
170.05963	29.9
173.02959	1.7
180.08035	1.6
182.05920	1.0
185.02856	1.1
187.08612	7.1
188.07030	100.0
189.07285	2.1
205.09698	17.6
207.09190	1.5
225.10191	15.3
245.05026	3.4
252.11313	1.6
270.12323	22.5
270.15051	1.7
280.10852	4.3
298.11813	5.7
316.12817	19.5
316.38135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.5
55.05437	5.6
57.03364	1.0
59.04925	1.0
64.33062	0.8
67.05434	20.0
69.03363	6.6
69.06979	4.2
70.06504	3.9
79.05408	4.8
81.06966	11.4
83.01251	3.6
83.04910	10.5
84.04404	1.2
84.08059	1.7
85.02837	18.5
86.09605	1.0
87.04375	0.9
91.05408	9.1
93.06975	15.3
95.04897	13.8
95.08537	10.4
97.06452	4.2
103.05425	1.0
105.06965	9.8
107.04913	1.8
107.08549	8.3
109.06461	9.7
109.09406	1.5
109.10113	44.1
110.07066	0.8
111.08027	2.0
113.02312	1.2
117.06952	1.1
119.08521	12.2
121.06467	20.0
121.10080	3.8
122.07243	8.2
123.04419	1.0
123.08018	8.1
123.11627	3.4
125.09521	1.0
127.03874	6.5
131.08542	8.5
133.06445	1.4
133.10098	21.0
135.08028	8.0
135.11668	1.9
136.08713	1.0
137.05951	3.9
137.09598	100.0
138.09926	1.2
139.07527	1.4
141.05403	1.1
142.07693	1.0
143.08524	3.3
145.10106	3.6
146.07225	1.0
147.08014	1.4
147.11722	1.3
149.09628	6.9
151.07521	1.8
151.11162	3.7
156.09355	6.6
157.10045	1.3
158.10872	1.9
159.07994	3.4
159.11687	2.0
161.01073	0.9
161.06003	1.8
161.09543	6.2
163.07443	1.5
171.11699	7.3
173.09604	12.1
173.13258	3.5
174.10368	1.6
175.11087	4.8
177.09077	2.0
179.06981	8.2
179.10626	10.4
186.10327	2.1
187.11096	1.1
188.11931	9.1
189.12752	10.3
191.14284	2.0
193.79599	0.9
199.11243	1.2
201.12622	1.8
206.12965	2.1
217.12163	3.7
219.13689	7.0
223.09633	5.0
225.84235	1.0
227.10606	1.5
235.13190	1.2
237.14796	6.4
245.11684	3.6
263.12805	9.4
281.13809	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	316.2845
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05452	6.9
55.45059	0.6
56.04970	6.1
57.03377	1.2
57.07005	4.2
60.04458	100.0
67.05432	12.3
69.06995	6.6
69.07285	0.7
70.06489	3.6
71.08546	1.2
71.66330	0.6
72.04430	1.5
74.05995	6.0
77.12099	0.6
79.05397	4.3
81.06973	11.8
83.08529	3.3
84.04405	1.0
87.04394	6.5
88.07558	9.0
91.05404	3.3
92.10269	2.0
93.06969	3.4
94.06470	0.9
95.08542	7.2
96.08071	0.9
97.10098	1.4
98.97511	1.2
105.06991	1.1
107.08506	1.1
109.10079	1.5
110.89041	0.7
116.98543	2.9
119.08513	0.7
123.11652	1.2
126.09274	0.7
134.99579	1.5
135.11652	0.7
256.26395	1.4
262.25412	0.8
270.27902	1.6
274.97437	1.0
280.26419	6.2
292.98532	1.2
298.27325	6.8
316.28397	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55368	0.3
55.01811	0.7
56.04969	0.8
61.97838	0.4
68.04950	0.9
69.06967	0.6
70.02872	7.9
81.06973	0.4
82.02399	0.5
82.02860	11.7
82.03296	0.9
84.04421	2.6
91.05392	0.7
92.10212	1.7
94.02862	0.5
96.04387	1.1
99.08033	0.5
100.03910	1.9
103.05444	0.7
105.43986	0.5
115.05409	0.5
116.29737	0.4
117.05769	0.6
117.06971	2.7
118.06491	25.6
126.43546	0.5
128.03404	11.1
129.06960	2.4
130.06496	100.0
132.08093	1.9
142.06500	3.1
143.07260	3.9
144.08072	21.9
146.05991	66.2
156.08038	6.6
159.09099	3.8
160.07556	2.1
166.06519	0.7
167.07280	2.1
168.08089	5.3
169.07565	11.3
170.05989	7.6
182.08397	1.1
183.06868	0.6
183.09140	6.3
184.07544	7.2
185.07069	6.8
188.05547	2.2
188.07030	34.8
194.06023	1.6
195.09148	1.9
211.08644	18.5
213.06549	6.4
213.10176	1.0
215.08078	5.1
228.08951	0.6
229.09695	1.7
244.09668	3.6
257.09161	26.6
317.11273	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	317.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02677	0.7
54.61324	0.6
56.04969	1.1
56.96499	1.7
59.26181	0.7
68.04960	1.7
69.03341	1.2
69.06988	6.5
70.06513	1.3
72.08051	1.5
75.05519	100.0
83.06030	6.7
84.04429	71.1
85.02837	0.8
85.12227	0.7
86.09630	39.9
94.30069	0.8
95.06005	0.9
96.04412	20.0
97.02859	1.1
98.97527	0.8
101.07063	4.1
101.57011	0.8
105.03256	1.4
113.07078	4.8
120.08041	0.8
124.03906	23.8
129.06570	27.8
132.10181	10.5
141.05704	0.8
141.06589	13.5
143.11755	1.1
152.02202	1.3
152.03404	37.3
158.09209	3.2
164.02306	0.8
169.04689	1.5
169.06056	27.0
186.08704	32.9
197.12862	12.9
237.12254	4.4
242.14940	1.7
243.13361	8.2
276.07501	3.0
283.12723	1.6
300.15305	1.3
317.11453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37295	1.6
53.00240	2.2
55.05452	65.1
57.07011	53.3
58.20205	1.3
59.59846	1.8
60.04458	18.5
61.04788	1.7
67.05077	2.3
67.05426	51.1
69.06987	100.0
71.04905	2.8
71.08550	22.3
73.11903	1.3
79.05408	19.5
81.06973	63.4
81.07448	2.4
82.13250	1.4
83.04899	2.7
83.08540	51.3
85.06470	2.1
85.10113	9.3
87.04377	2.3
91.05399	24.0
93.06978	20.4
95.08527	67.4
97.06465	7.0
97.10101	35.2
99.08024	2.1
101.05958	1.4
102.93980	1.6
104.71210	1.4
105.06956	15.6
107.08537	18.1
109.06448	2.2
109.10100	31.7
111.08012	2.7
111.11665	8.6
113.09586	2.3
116.98537	2.1
119.08514	15.3
121.10090	16.0
123.08042	3.0
123.11642	10.2
125.09556	1.7
125.13218	2.7
133.10097	17.2
135.11646	7.0
137.09607	3.3
137.13268	2.8
147.11641	9.8
149.09578	3.4
149.13252	2.7
151.11183	3.0
151.14804	2.0
155.14322	2.7
161.13202	7.8
163.14748	3.1
165.12646	5.9
172.95241	5.4
175.14767	3.2
179.14355	1.7
181.15868	2.3
189.16370	2.5
207.17410	2.0
228.97650	2.1
245.22552	11.8
253.25105	1.8
256.48291	1.4
263.23584	8.6
281.24701	7.4
299.25540	2.1
317.20840	3.1
317.28629	4.8
325.09647	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01568	1.2
50.05162	1.2
53.03885	2.7
54.06222	1.4
54.61559	1.2
55.01805	1.9
56.96497	2.2
57.03364	2.4
61.02856	13.6
68.98125	1.6
69.03339	23.2
70.06523	2.1
70.72388	1.4
71.04885	2.1
73.02824	3.5
77.38346	1.6
81.03333	7.0
84.04419	10.5
85.02834	100.0
86.09631	15.0
87.04372	1.7
88.03940	1.6
91.03883	3.6
91.05413	6.2
93.06976	2.3
96.04406	2.0
97.02824	25.6
99.04375	3.3
102.05469	9.4
105.03323	1.9
109.02821	7.4
121.06457	48.1
121.07330	1.7
127.03851	14.1
132.10175	2.1
141.06625	7.7
145.04900	14.7
150.64735	1.7
159.07634	3.6
163.05971	2.7
175.32144	1.5
180.08554	6.2
187.07422	3.8
201.09109	1.7
205.08607	2.9
247.09619	1.8
265.10657	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1657
Annotation	Leu-Ala-Asp
Peak:m/z	Relative Intensity
55.05442	0.7
56.96507	1.0
58.06540	3.6
65.06752	0.3
69.03345	0.7
69.06995	13.1
70.06508	2.7
72.08078	7.0
84.04438	10.9
84.08083	1.9
85.02835	0.8
86.05993	0.7
86.09635	100.0
87.04401	0.5
87.09975	0.4
92.10330	0.5
94.39633	0.4
96.04410	0.7
98.09621	0.5
98.97513	0.4
102.05490	5.0
104.07062	2.2
110.07126	0.6
112.07593	0.8
114.05431	0.6
117.91405	0.4
119.01888	1.6
124.03907	0.5
130.04974	9.1
130.08620	2.0
132.10173	0.4
134.99670	0.6
141.06616	2.1
143.11826	2.0
148.06032	10.7
157.03461	0.4
157.13391	3.6
159.07652	0.9
161.02869	0.4
170.04494	4.2
171.11272	3.0
176.74010	0.5
185.12904	1.0
187.07159	1.8
189.12347	3.5
203.08266	0.5
205.08185	8.5
219.98227	0.4
260.10294	2.0
295.08786	1.0
302.12485	0.4
318.16675	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	318.1811
Annotation	H-ILE-TRP-OH
Peak:m/z	Relative Intensity
55.01842	0.9
59.48036	0.6
67.05449	1.2
69.06988	4.9
70.06512	0.7
74.02367	1.6
76.56140	0.9
85.02830	1.0
86.09633	100.0
87.09923	0.9
91.05402	0.7
93.06992	0.9
97.01581	0.6
104.77386	0.7
113.10742	1.2
115.05414	1.8
117.05706	1.8
117.07001	1.1
118.06507	11.7
130.06491	14.4
130.08612	1.2
131.04871	0.9
132.08057	30.4
141.10184	3.7
142.06467	6.0
143.07266	1.0
144.08067	25.6
146.06001	59.1
159.09154	46.2
160.07545	3.6
170.05972	10.9
188.07043	80.5
189.07297	1.3
205.09711	29.7
273.15942	1.1
301.15393	10.0
317.60168	0.9
318.18097	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	318.1811
Annotation	H-ILE-TRP-OH
Peak:m/z	Relative Intensity
51.87665	0.3
52.11732	0.3
57.05754	0.3
58.06528	0.5
62.92288	0.3
64.32282	0.3
69.06988	18.5
75.10123	0.3
78.92281	0.3
81.06965	0.3
86.09628	100.0
87.09954	0.6
91.05400	0.6
92.10978	0.7
96.06045	0.3
113.10699	0.4
116.71257	0.3
118.06498	6.4
130.06500	2.5
132.08052	3.3
141.10269	1.2
144.08070	5.8
146.05992	31.9
146.12111	0.3
147.06281	0.5
159.09129	4.7
170.06036	2.8
171.13313	0.4
180.19891	0.4
188.07034	47.6
189.07327	1.3
195.16451	0.4
205.09702	20.7
206.10083	0.5
262.41577	0.4
309.21329	0.4
318.18085	8.6
319.18210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	1.3
54.37700	0.8
55.01809	1.9
55.05449	11.8
57.03370	4.8
58.66352	0.9
66.07372	1.0
67.05427	15.4
69.03355	4.4
69.06989	61.9
71.04897	1.4
73.06470	7.1
76.67171	1.0
79.05408	29.9
80.03053	1.1
81.03341	8.4
81.06976	100.0
83.04904	2.6
83.08533	4.9
85.01428	0.9
85.02828	1.3
91.05408	13.2
92.10212	1.2
93.06959	13.7
95.04878	2.3
95.08532	18.2
97.06464	14.1
98.97589	1.2
99.04404	7.3
99.08041	7.6
102.37568	1.0
105.06972	12.3
107.04900	1.7
107.08543	22.0
109.06476	2.0
109.10140	1.6
115.07516	1.3
117.06966	4.4
118.33327	1.0
119.08552	7.3
121.10104	6.9
123.08038	2.4
127.03893	1.1
127.07516	18.5
128.03445	1.3
129.06993	1.2
131.08543	8.2
133.10085	4.8
135.08049	2.4
135.11664	2.0
137.09583	1.4
143.07025	15.3
143.08536	1.9
145.08580	34.2
145.10030	10.1
146.99269	1.1
147.11711	1.8
149.09605	6.1
151.11176	1.1
157.08641	1.2
159.11655	1.6
161.08047	8.7
161.09303	1.0
163.08438	1.2
163.11168	6.3
171.85471	1.1
173.13239	1.2
174.03990	1.4
187.05995	1.2
189.12703	1.1
201.16422	4.2
227.12775	4.8
227.31975	1.1
229.15857	4.3
242.78348	1.0
247.16908	10.7
254.85780	1.1
265.17966	6.5
283.15417	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3001
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
57.06780	1.1
57.07016	21.3
58.06528	4.5
70.06513	35.3
71.08569	7.0
83.78413	0.9
85.10061	1.0
88.07560	44.5
95.82655	1.0
97.82479	0.9
98.43407	0.8
101.45751	0.8
102.09128	27.3
114.94783	0.9
117.04590	0.9
146.11758	1.0
148.50900	0.9
212.23694	2.0
214.38251	0.9
255.55559	1.2
256.26318	80.1
300.28906	5.0
301.00714	1.0
318.29974	100.0
322.08847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06747	0.5
57.07016	16.9
70.06513	30.0
71.08559	7.1
77.54865	0.5
84.08069	2.4
85.10076	0.9
86.09628	0.9
88.07558	33.5
102.09093	1.2
106.08595	4.0
109.92016	0.6
114.09127	9.3
118.08624	3.3
130.08600	0.7
132.10176	35.9
150.10085	1.2
150.11241	27.1
162.74345	0.7
242.24808	1.2
256.26343	1.2
274.27405	10.9
318.29980	100.0
320.42819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3001
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
50.51650	0.7
55.05455	1.1
56.04979	18.3
57.06782	1.0
57.07011	17.6
58.06530	8.5
60.04216	0.7
60.04463	12.6
64.33814	1.0
66.35532	0.8
69.07001	1.3
70.06514	3.2
71.08542	6.3
74.05990	15.2
80.29511	0.9
85.10095	2.0
86.06000	1.8
87.30878	1.0
88.07554	83.3
90.12234	0.8
118.08599	11.7
122.08062	6.7
162.65715	1.3
255.24205	1.0
256.26251	4.7
270.27869	56.4
282.27740	1.3
300.28925	4.1
318.29950	100.0
319.30298	1.5
343.08725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04969	6.3
56.05174	0.4
56.59735	0.6
57.05761	1.2
70.06503	4.8
79.05413	0.7
85.02827	0.8
85.34144	0.7
86.03481	1.3
86.09595	0.7
95.06023	1.0
111.05542	3.6
113.07068	1.2
116.04935	2.5
118.06500	1.5
120.04406	1.5
124.05031	3.1
126.06580	0.9
127.07350	0.7
130.06516	0.8
132.04410	8.0
132.07220	0.6
132.08096	4.1
134.05978	2.7
140.08182	1.1
144.08037	1.0
146.05959	4.6
148.03943	0.9
150.05484	5.3
151.06157	3.6
159.09175	3.0
170.05861	0.9
176.07080	1.3
177.98238	0.7
179.08142	3.5
187.08656	2.6
188.07060	5.2
202.09784	3.1
203.08110	45.5
203.10054	1.5
205.09734	1.6
214.43709	0.7
217.09691	1.2
230.09152	1.4
231.07610	14.5
233.14001	2.6
234.12308	18.2
242.09248	1.0
246.08757	1.1
257.10202	1.2
259.11774	11.7
260.10245	100.0
277.12878	26.0
302.12408	33.3
319.15118	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12443	1.0
51.18530	1.0
54.81727	0.9
56.04977	12.5
57.05744	2.2
58.79845	0.9
60.05564	2.2
65.97599	0.9
69.04483	1.9
70.06493	7.1
74.68605	0.9
83.06019	5.1
87.05499	1.6
95.06023	6.1
98.07169	1.1
101.80492	1.1
102.46307	1.0
105.03363	1.7
106.06509	1.4
111.04431	1.0
111.05514	12.3
112.08661	1.6
113.07069	7.9
118.06478	1.5
120.04407	5.5
126.06618	9.0
127.07401	1.8
130.06474	1.4
130.92662	0.9
131.07303	1.0
132.04411	20.4
132.08038	4.2
134.05986	6.6
137.04651	1.6
140.08183	4.2
148.03885	2.5
150.05446	15.5
150.06339	0.9
151.06166	11.2
176.06985	2.2
182.08360	1.9
184.35071	1.0
187.08633	8.4
189.06462	1.2
202.09763	6.1
203.08138	9.1
211.08676	4.1
218.09216	1.0
230.09192	4.2
231.07591	45.6
232.08022	1.2
232.10551	1.2
233.09094	2.5
233.13907	11.2
242.09279	1.5
257.10226	8.3
259.11816	38.7
260.10211	4.2
277.12881	100.0
284.11432	6.0
298.21780	1.0
301.14014	1.5
302.12408	55.5
303.12875	1.1
319.15103	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74409	1.6
55.05454	2.0
57.07011	81.3
63.43967	1.6
65.55497	1.9
67.09773	1.8
69.06967	2.0
71.08550	47.0
74.23095	1.7
78.88673	2.1
82.68890	2.0
85.10112	20.7
86.38783	2.0
89.05956	100.0
107.07024	10.0
133.08569	10.0
148.71858	2.0
151.09627	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	320.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96501	16.3
57.73307	0.3
58.02887	0.4
58.15049	0.3
65.03854	0.6
68.99692	1.7
74.97523	0.4
77.66867	0.4
84.95948	6.2
85.02827	0.5
91.05401	3.9
92.10929	1.4
97.02792	0.4
98.97508	12.2
100.11169	0.7
102.97001	1.9
110.97520	1.9
112.86678	0.4
116.98572	14.2
119.04876	0.6
121.02813	0.5
128.98566	6.5
131.00082	1.2
134.03624	0.4
134.99628	14.2
140.00110	0.4
141.06926	1.5
143.00146	4.2
145.02808	2.2
146.99629	9.2
149.01199	1.4
149.02312	3.1
152.98604	1.7
153.00665	2.6
153.01802	9.6
158.75586	0.4
158.99535	2.6
159.04369	0.9
160.97491	0.5
161.01178	10.8
162.01604	0.4
162.99126	0.6
165.00626	0.7
169.06416	1.9
170.99620	5.2
173.01210	1.6
177.00687	3.3
179.02219	4.7
182.02318	0.6
189.00620	2.7
195.01741	0.6
197.05942	1.5
201.00572	3.3
202.98630	0.4
203.02193	1.4
215.06999	7.4
216.07195	0.6
219.01721	8.2
225.05351	0.4
237.02782	7.8
243.06473	5.9
244.06911	0.5
253.04929	1.7
261.02783	1.4
271.05948	100.0
272.06262	12.7
277.19904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95516	3.2
55.01818	5.8
55.05443	20.5
56.96489	3.8
57.07012	17.3
58.02891	22.5
67.05419	23.8
69.06979	27.0
71.08536	13.0
79.05409	12.0
81.06961	30.3
83.08547	3.7
91.04298	3.0
91.05396	5.7
93.06983	24.7
95.04910	26.2
95.08533	32.8
97.10113	3.0
98.97518	5.1
99.08037	3.6
100.07527	4.6
105.06977	14.7
107.08539	17.9
107.44531	3.3
109.06480	47.4
109.10088	4.8
116.98576	19.8
119.08516	7.0
121.06464	5.6
123.08060	3.4
128.98500	3.0
133.10092	6.0
134.99626	14.8
165.12708	100.0
166.98537	2.9
190.96294	3.9
191.14284	4.9
198.14915	5.9
201.16628	3.4
222.18471	5.6
279.59210	3.2
289.21646	7.8
302.24796	3.5
320.25702	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1119
Annotation	Crotafuran A
Peak:m/z	Relative Intensity
54.53951	0.5
54.81771	0.6
55.01808	0.6
66.09867	0.4
69.06992	0.6
74.97777	0.5
79.05389	1.0
81.06962	0.6
91.05391	2.4
92.15893	0.4
93.06958	0.5
95.04863	0.6
97.24392	0.6
105.06963	0.9
107.04884	2.5
107.08523	0.6
107.19542	0.5
109.06476	0.7
115.05418	0.8
123.04348	0.7
123.08007	0.7
131.04874	0.6
131.08549	0.6
141.06966	0.6
145.06412	0.8
147.04376	9.2
153.05490	0.9
157.06508	1.1
159.07973	0.6
167.08621	0.6
173.66463	0.6
183.08058	1.3
183.56116	0.6
185.05946	5.0
187.07504	1.2
189.06352	0.6
195.08037	1.0
197.05922	1.1
199.04633	0.6
207.08023	0.9
211.07579	0.8
213.05429	2.4
214.01384	0.6
219.08017	0.6
223.07458	2.2
229.10170	0.7
231.08089	1.1
232.08829	1.3
235.07521	2.6
236.44809	0.5
237.05357	0.9
237.09146	1.0
238.06264	0.6
247.11168	2.1
249.08929	0.7
250.06047	0.9
250.09973	1.0
251.06923	1.1
251.10815	0.6
260.08295	2.2
261.09012	3.4
263.07016	5.3
264.07874	1.1
265.12198	2.4
266.05646	6.1
275.10516	1.2
277.05225	0.8
277.08588	6.3
278.05887	0.7
278.09158	2.2
279.06461	1.2
279.10150	2.0
285.09265	0.8
287.06897	0.8
289.08469	5.2
291.06387	5.8
293.08310	0.8
293.11618	2.0
303.10196	9.8
305.08020	11.6
306.08810	13.0
321.11154	100.0
322.11404	3.7
343.39877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81572	0.7
56.04975	4.0
56.96506	0.6
58.06529	9.7
58.97335	0.6
60.05579	100.0
65.03876	0.8
66.93766	0.6
69.00828	2.9
70.06507	13.9
73.07568	0.6
75.13935	0.5
76.02137	1.0
83.06042	0.6
84.04438	2.1
86.03471	26.0
87.09154	3.0
90.05505	0.6
98.97452	0.6
99.05492	0.8
99.09144	17.7
106.32690	0.6
111.05499	1.1
113.07072	28.7
118.06488	6.0
127.32956	0.6
130.06468	0.7
132.08034	4.1
144.04446	1.2
146.05988	1.1
148.03932	4.5
150.00772	0.6
150.05482	22.5
150.06696	0.8
158.02753	0.8
162.05470	2.4
164.07019	41.1
170.61069	0.6
175.08595	0.8
176.07025	17.2
178.07321	4.3
178.08684	1.1
188.06970	0.6
193.09659	11.1
205.09735	1.4
206.10481	2.2
207.71893	0.6
219.07637	16.7
219.11208	13.0
236.13876	39.9
244.10791	3.2
261.10547	0.7
262.11880	9.6
303.12634	0.7
321.16666	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	321.2423
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
50.52708	0.5
53.00232	0.7
53.03879	0.7
55.01799	0.9
55.05218	0.8
55.05453	12.5
57.07013	5.7
57.07248	0.6
60.36455	0.6
62.58950	0.5
67.05423	8.2
68.55058	0.8
69.06982	8.9
71.04905	1.1
71.08535	1.3
76.02123	2.9
79.05396	5.5
81.06978	10.2
83.04906	1.3
83.08527	3.8
84.04420	3.7
85.06465	3.6
90.05474	1.5
91.05412	4.7
93.06957	9.6
95.08534	14.4
97.06445	0.9
97.10091	1.1
98.22968	0.6
99.08007	0.8
105.06984	5.0
107.08537	8.4
109.06465	30.7
109.10098	6.5
111.08005	2.8
116.01601	0.8
119.08533	5.9
121.10119	5.7
122.07246	4.0
123.08017	100.0
124.08311	1.0
131.08559	1.4
133.10068	3.0
135.08014	13.4
135.11652	0.8
137.09628	5.3
145.10091	1.3
147.11658	1.1
149.09575	2.9
158.02666	4.6
159.11703	1.5
163.11217	0.7
165.12712	0.9
179.14265	77.7
180.14549	1.5
191.14279	0.8
191.85274	0.7
193.06375	0.8
247.16899	0.9
252.92928	0.7
265.17914	18.9
303.23175	4.1
307.32596	0.7
321.24170	80.4
322.24515	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1065
Annotation	gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Peak:m/z	Relative Intensity
51.30921	0.8
51.85255	1.0
55.01810	11.6
56.04707	0.9
56.04969	4.0
58.99520	21.1
60.05600	1.6
70.06502	5.7
71.49215	1.2
72.04420	11.7
73.01046	1.2
76.02141	100.0
77.45021	1.1
79.77648	0.9
80.04902	1.2
83.06003	1.5
84.04427	86.3
86.09615	1.0
86.98976	5.4
88.02139	8.1
88.98515	0.9
90.05482	57.0
100.02113	2.2
102.05502	1.2
104.01623	19.2
114.03698	2.1
116.01628	43.1
120.08068	9.4
124.86592	1.1
130.03270	2.3
130.04953	17.7
141.04784	1.2
142.03206	16.9
146.02795	1.2
158.02686	80.3
170.02739	2.2
172.55029	1.1
175.05374	8.6
176.03738	20.9
187.05353	4.2
193.06381	47.5
215.04842	4.8
233.05849	10.3
241.06303	1.1
250.29012	1.0
259.07468	2.1
304.09622	1.1
322.05341	1.8
322.10519	8.5
322.18616	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	322.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	1.2
54.16127	1.3
55.01810	8.5
55.05457	1.1
56.04968	2.3
56.96503	8.2
57.03373	6.9
58.10089	1.5
58.99515	18.7
60.04465	1.9
61.02846	2.3
67.05415	1.6
69.03355	18.4
69.07001	2.3
70.06519	4.6
71.04905	2.0
72.04439	5.5
73.02823	2.6
76.02144	72.5
80.04942	2.4
81.03349	6.5
81.06963	1.6
81.30155	1.1
83.04871	1.3
84.04429	60.3
84.04939	2.3
85.02817	18.0
86.09647	2.5
86.99001	1.7
87.04369	1.8
88.02161	3.0
88.03889	1.2
90.05482	37.8
90.05996	2.2
91.05389	4.3
95.04880	2.7
95.08554	1.7
97.02832	12.1
98.97555	2.7
100.02139	2.7
102.05488	1.7
103.05406	1.2
104.01618	12.7
105.03342	6.6
105.07013	1.6
107.04899	1.3
107.08546	1.3
114.09133	1.5
115.05389	4.7
116.01620	31.9
116.98595	2.0
117.06942	2.7
119.08612	1.6
121.06514	1.5
127.03930	1.9
130.03281	2.1
130.04968	10.5
130.06522	8.2
132.08075	9.5
141.04820	1.7
142.03180	15.5
142.06488	30.2
143.07275	10.3
144.08070	19.6
147.04465	1.7
158.02678	67.2
158.03918	2.4
158.06041	2.4
159.06755	1.6
160.04285	4.9
160.07544	100.0
175.05385	6.2
176.03758	14.0
187.05429	1.6
190.14340	2.1
193.06371	32.6
215.04932	2.3
233.05965	5.2
289.43253	1.3
322.12866	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.4
55.01809	1.6
55.05453	15.2
55.70496	0.3
56.04964	0.8
56.96502	1.4
57.05759	1.3
58.99520	1.3
59.00113	0.3
62.06016	3.5
62.10643	0.3
62.46955	0.3
62.97069	0.3
65.91637	0.3
67.05422	0.5
67.76330	0.3
68.06179	0.4
69.03341	0.6
69.06986	0.3
70.06512	14.0
71.04903	0.6
71.06834	0.5
72.04437	0.7
72.08073	100.0
76.02144	7.8
79.05418	0.7
81.06986	1.6
83.04895	0.5
84.04433	8.3
84.08075	9.0
85.02843	0.5
85.06469	0.4
86.09652	0.4
90.05481	5.2
91.05418	1.3
93.06968	1.8
95.04909	1.6
95.08543	0.5
97.06470	0.4
98.97529	0.5
99.04409	0.4
103.05424	1.6
104.01639	1.6
105.06986	0.5
107.04875	2.6
107.08562	0.6
109.06539	0.4
114.37062	0.4
116.01615	2.9
116.07039	2.9
116.98531	0.5
117.03421	0.4
118.06511	0.4
119.08553	1.3
120.08060	53.4
121.08438	0.4
121.10103	0.7
127.20428	0.3
129.10208	3.4
130.04991	1.4
130.06490	2.7
131.04961	0.5
131.08517	0.6
134.99712	0.5
136.07558	0.4
142.03236	0.5
145.02853	0.6
145.10158	0.7
146.05901	0.3
149.06004	0.7
151.03934	0.4
157.09717	5.7
158.02687	5.7
158.06023	0.6
159.09186	0.5
159.11725	0.6
160.13281	1.2
163.11076	0.4
166.08609	24.7
173.07132	0.3
176.03763	2.1
177.10208	6.7
181.12230	0.4
187.11086	0.4
193.06389	4.1
197.07454	0.4
213.12265	0.4
223.10733	11.3
233.05922	0.5
251.12779	0.8
269.13892	0.5
277.15280	0.5
285.88284	0.4
322.10797	0.4
322.17520	1.4
322.21155	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.201
Annotation	omega-Hydroxycapsaicin
Peak:m/z	Relative Intensity
50.77287	0.1
55.01790	0.1
55.05437	0.3
57.07006	0.1
58.99527	0.1
65.03857	0.3
65.91122	0.1
66.04629	0.2
67.05078	0.1
67.05430	2.6
68.04984	0.1
68.25513	0.1
69.07011	0.9
70.06510	0.3
70.87364	0.1
72.17050	0.1
76.02129	0.2
79.05408	1.1
81.06973	3.5
83.04887	0.2
84.04431	0.3
85.06458	0.5
91.05397	0.9
93.06957	0.6
94.04108	2.4
95.04897	0.6
95.08535	0.3
96.08080	0.2
98.05968	0.3
100.07546	0.2
105.06993	0.9
107.04864	0.3
107.08543	1.1
109.06451	0.3
109.10089	2.7
109.18574	0.1
112.07538	0.3
113.05955	0.3
114.09081	0.2
122.03599	8.7
123.11657	4.4
124.07449	0.2
133.06517	0.2
133.10086	2.5
135.04350	0.2
137.05952	100.0
138.06238	0.5
142.08640	0.3
151.11163	1.9
158.02704	0.3
168.13815	2.2
169.12186	0.5
180.13762	0.2
186.14893	1.3
187.13202	0.9
322.19913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	26.5
56.54331	4.1
56.57623	3.4
57.07010	6.1
58.02890	16.6
62.75698	3.7
67.05415	16.1
69.06977	24.4
71.04904	4.7
71.08537	31.1
79.05389	16.8
81.06973	28.0
81.45619	3.7
83.04904	4.7
83.08559	5.1
91.05383	4.1
93.06957	18.6
95.08535	27.2
97.10120	4.0
99.08017	8.8
105.06952	4.5
107.08529	9.2
109.06452	23.7
109.10088	4.7
114.09084	4.4
119.08529	6.0
133.10048	4.9
133.67535	4.1
134.63820	3.6
141.92650	4.0
147.11649	7.4
159.80856	3.8
165.12663	27.9
189.06055	4.5
193.15805	5.9
198.14828	4.2
224.20045	16.8
291.23169	38.2
299.13937	3.8
304.63507	4.0
322.27393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94069	0.6
51.38490	0.6
53.03887	0.7
55.01803	1.4
55.05226	0.5
55.05454	6.7
56.96500	2.8
57.07004	1.4
58.99516	0.6
60.55503	0.7
62.06018	100.0
62.43663	0.6
67.05080	1.1
67.05428	29.2
69.06978	6.6
76.02154	5.5
79.05405	19.5
81.06976	26.5
81.16427	0.7
81.81445	0.6
83.08540	3.3
84.04430	3.9
85.06415	0.7
90.05482	3.0
91.05418	8.5
93.06981	24.2
95.04861	1.3
95.08532	20.0
97.10111	0.9
98.05981	0.7
98.97518	9.0
105.06981	6.5
107.08536	11.2
109.10111	4.6
116.01643	0.7
116.98578	11.7
117.06963	1.4
119.08502	2.6
121.10110	8.3
123.11671	1.5
128.76810	0.7
131.08514	3.4
133.10086	1.5
134.99615	11.9
135.11662	4.4
145.10124	1.2
147.11761	0.7
149.13239	1.0
153.00706	1.3
158.02750	3.1
163.14833	1.3
177.16386	1.2
193.06354	1.1
233.22557	0.8
258.99612	3.3
261.22150	1.6
266.27713	0.8
277.00781	9.9
304.26401	1.2
305.24881	1.0
322.27408	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	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	1.4
55.05440	6.6
56.96494	4.9
57.07005	2.1
57.15741	0.9
58.99509	1.0
62.06019	100.0
65.56678	0.9
67.05428	32.8
69.06981	6.4
71.08559	1.1
74.40399	1.1
76.02133	10.6
77.81441	1.0
79.05407	23.0
81.06977	23.4
83.08539	1.6
84.04431	8.9
90.05509	3.8
91.05421	9.2
93.06973	30.2
95.04883	1.6
95.08543	19.6
95.82605	1.3
98.97500	14.6
104.01639	1.3
105.06969	5.4
107.08541	14.0
109.10145	4.2
116.01665	1.7
116.98569	20.9
117.06944	2.0
119.08555	1.7
121.10115	9.8
126.10180	1.2
131.08551	5.1
133.10114	1.7
134.99620	21.4
135.11610	2.1
141.04915	1.2
145.10135	1.7
149.13271	1.2
153.00685	7.3
158.02658	4.0
159.11650	2.1
175.05344	1.3
176.03738	1.8
193.06409	2.7
226.50235	1.2
243.20967	1.5
249.45221	1.2
258.99585	8.5
260.69943	1.1
261.22147	2.5
272.24744	1.1
277.00800	25.9
300.02539	1.4
320.73245	1.2
322.27362	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	322.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	2.0
55.05438	11.6
56.04952	1.5
56.96498	4.2
57.07008	2.4
58.99530	2.0
61.93153	1.7
62.06015	100.0
62.23790	1.5
63.90928	1.6
67.05125	1.8
67.05426	28.2
69.06979	11.9
71.46990	1.4
74.41155	1.7
76.02143	14.8
79.05396	17.5
81.06982	24.0
83.08526	3.4
84.04412	11.3
86.09612	3.1
88.12759	1.6
88.62846	1.8
90.05470	9.7
91.05381	11.4
93.06959	22.3
95.08535	19.3
97.02766	1.7
97.10110	1.8
98.97500	7.3
104.10671	11.0
105.06942	2.3
107.08517	8.9
109.10092	8.3
116.01600	2.3
116.98557	10.7
121.10108	3.7
123.11658	3.1
124.99958	1.9
130.44926	1.7
131.08591	2.9
133.10095	2.5
134.99644	9.4
135.11671	3.3
138.52930	14.9
147.53445	2.3
149.01166	2.3
157.53592	1.8
158.02669	11.8
166.54298	3.0
173.02890	2.2
175.05356	2.1
176.03629	2.6
184.07310	4.5
185.02960	2.4
193.06314	4.0
197.94971	1.8
198.96744	1.8
218.02231	1.8
245.05157	2.5
277.00708	9.6
289.65930	3.0
304.76154	1.8
322.27539	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	323.1276
Annotation	8-(3,3-Dimethylallyl)chrysin
Peak:m/z	Relative Intensity
50.47497	0.4
53.03913	0.6
54.27987	0.4
54.81550	0.5
55.01826	1.1
55.05428	0.5
61.37601	0.5
64.17679	0.6
67.05437	0.6
71.32002	0.5
78.95645	0.5
91.05397	2.8
93.06953	0.5
95.04872	0.5
107.04903	3.2
121.02821	0.8
129.06995	0.6
149.02289	1.0
153.34702	0.6
157.06480	2.4
165.06975	4.8
183.08031	0.7
195.04422	3.5
211.07571	1.0
221.05957	0.7
239.06992	4.9
267.06473	100.0
268.06873	3.3
323.08887	1.2
323.12769	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	323.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81263	0.4
55.05466	0.4
56.96522	0.5
59.27119	0.3
64.04000	0.3
64.32934	0.4
67.05437	0.6
79.05414	3.1
80.04948	0.4
81.05711	3.4
81.06989	1.7
84.04434	0.4
84.08091	0.6
86.09631	0.4
91.05407	0.9
93.06965	0.6
94.06519	0.7
95.04912	1.7
96.08053	11.1
105.04399	0.4
106.06519	1.8
108.08081	0.8
110.07127	0.5
122.05961	0.6
124.07553	28.9
126.05415	0.4
136.07555	83.5
137.07890	0.9
138.09119	2.0
140.07050	2.8
160.10802	0.4
164.07031	100.0
165.07382	0.5
181.04935	0.5
182.08087	36.6
185.42860	0.5
271.05869	0.9
325.39218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63998	0.8
54.22217	0.6
54.35946	0.6
58.06534	50.4
60.05581	100.0
65.41105	0.8
71.07288	1.6
72.08074	1.7
72.66328	0.8
82.02845	0.9
84.08061	12.7
86.03435	1.7
93.39283	0.7
101.10719	1.3
108.40241	0.7
117.05656	0.8
127.08637	53.2
129.94316	0.8
132.08031	2.9
148.03911	3.1
150.05486	11.3
161.96098	0.8
176.07027	5.4
202.27383	0.7
218.87625	0.8
219.07585	3.6
229.90022	1.0
238.15479	3.2
264.13385	18.0
323.18253	1.5
331.49289	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25591	0.8
54.81675	1.1
55.01818	1.2
55.05453	1.5
56.04980	1.6
56.96482	4.8
57.03363	4.5
57.29047	1.1
58.06540	9.2
60.05582	100.0
64.33326	1.1
67.05421	1.6
69.03348	9.3
69.06981	1.1
70.06512	14.2
71.01263	1.1
71.04923	1.1
71.06821	1.1
72.08070	2.2
76.02145	2.7
76.66074	1.0
80.51159	1.2
81.03333	1.5
81.06962	2.1
84.04425	7.6
84.08068	1.7
84.95957	1.1
85.02837	9.7
85.04764	1.2
86.03486	4.7
86.09645	2.1
87.04369	2.3
87.09161	2.3
90.05479	1.9
91.05409	11.0
95.04906	1.7
97.02827	5.3
98.97517	7.7
107.04897	2.0
107.08472	1.0
110.07117	5.3
113.07084	17.1
115.03886	1.4
116.01638	1.3
116.98568	7.1
119.04893	22.1
120.04405	4.4
120.08025	2.5
127.03887	18.5
127.47382	1.3
128.04160	1.7
130.06477	2.0
131.07256	1.8
133.04987	1.3
134.99625	6.4
145.02821	1.4
146.06007	7.4
147.04390	71.3
148.03897	1.6
149.79745	1.1
151.03853	2.1
158.02711	1.9
159.03185	1.5
162.05447	2.3
164.07016	10.3
177.00714	1.6
182.99606	4.9
188.07219	1.4
189.00616	1.5
190.08600	5.8
201.00664	21.4
219.01672	9.6
232.10773	20.1
234.07549	2.1
238.13210	1.7
238.15379	10.4
251.65558	1.2
264.13406	5.4
305.11359	1.6
314.78912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21986	2.3
57.33107	2.5
59.13887	2.6
61.77019	2.5
75.68023	2.5
76.39153	2.7
83.84474	2.7
83.92893	2.5
121.20848	2.8
183.44608	3.0
206.99966	2.8
247.65747	2.8
323.19528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37206	0.8
53.03880	1.4
55.01791	1.5
55.05222	1.1
55.05452	18.1
56.04970	12.9
56.96490	6.1
57.03365	1.9
57.06981	1.1
60.13028	0.8
65.03862	1.2
67.05079	1.6
67.05427	38.8
68.04908	0.9
69.03344	1.8
69.06983	12.0
70.06509	8.9
71.04903	7.1
72.08051	1.3
79.05405	24.6
80.04875	1.0
81.03294	0.9
81.06509	1.9
81.06973	39.8
81.91764	0.9
82.06503	14.9
82.75950	0.9
83.04890	5.3
83.08527	9.0
84.08054	5.8
84.95937	1.0
85.06462	6.4
86.09625	1.5
87.87568	0.9
90.05441	0.8
91.05405	28.1
93.06967	32.1
94.06503	1.8
95.04894	2.3
95.08529	34.5
96.08028	6.5
97.06454	6.4
98.09619	25.7
98.97517	9.5
99.07982	1.2
100.07529	1.9
103.05415	1.0
105.06976	25.1
107.08538	12.5
107.86618	1.3
108.08083	1.2
109.06435	1.8
109.10114	6.9
110.05962	1.6
110.09615	12.6
111.04388	1.5
111.08024	5.4
112.11153	2.2
116.98561	6.5
117.06978	1.4
119.07737	1.1
119.08530	26.9
121.10082	4.2
122.03572	1.1
122.09599	6.8
123.08006	2.0
123.10378	3.4
126.05463	1.2
128.06175	1.2
128.07051	3.8
129.06989	1.2
131.08559	1.6
133.10114	11.9
134.99643	7.3
135.11676	9.0
136.11179	5.4
137.05981	9.3
137.09569	2.2
146.99637	1.1
149.13202	3.6
150.12730	1.4
158.99620	1.0
161.05884	1.6
161.13203	20.6
161.38943	0.9
164.23244	1.0
167.14284	2.0
168.17389	1.1
168.65379	0.9
175.07579	1.2
176.14201	1.2
177.00623	1.8
178.15857	32.5
179.14278	6.7
191.02336	1.0
195.18538	5.5
196.16940	28.4
199.07411	1.0
200.29483	0.8
203.98808	1.0
206.75427	0.9
219.01689	1.6
221.89532	1.0
222.31583	0.9
237.02782	1.4
270.18634	1.5
288.19635	1.2
291.10056	1.6
305.22171	37.4
323.23212	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08155	1.0
54.81150	1.2
55.01805	5.3
55.05443	5.3
56.96492	1.4
57.03366	5.9
57.07016	3.2
61.02846	1.6
65.03871	1.4
67.05425	21.9
69.03356	14.0
69.06986	5.6
70.06497	5.4
71.04909	17.9
79.05407	23.2
81.03329	1.7
81.06964	7.6
81.69523	1.2
83.04896	7.7
84.04424	1.9
84.08076	1.5
85.02831	15.6
85.06469	85.5
87.04391	5.0
88.10343	1.3
88.16518	1.1
91.05398	19.8
93.06969	24.6
95.04881	6.5
97.02817	6.9
97.06445	7.5
99.04367	2.6
99.08012	7.1
105.06966	23.3
107.04895	15.2
107.08543	34.8
109.02831	3.2
109.06479	3.1
111.04391	9.6
116.98518	2.0
117.06963	8.0
119.08534	20.7
120.08032	2.3
121.06469	15.2
121.10089	23.1
123.04391	2.0
123.08011	1.9
125.05934	8.5
127.03856	16.1
128.04227	1.6
129.06984	10.5
130.06477	2.3
131.08536	88.9
135.04385	1.5
135.11639	5.5
137.05931	5.2
137.09581	6.7
139.07581	1.6
141.30533	1.3
143.07060	1.6
145.02911	2.1
145.10106	35.3
147.08043	8.0
149.05968	2.2
149.09602	78.0
153.05476	3.0
155.06943	1.8
155.08528	1.7
163.11156	23.6
165.09096	9.8
167.06966	2.0
167.10634	32.6
173.09572	8.4
179.10692	1.6
191.10634	60.9
192.10988	1.3
195.11258	1.5
201.00714	6.4
202.00977	1.4
204.99913	2.1
209.11696	63.0
227.12740	100.0
261.09546	1.3
273.76871	1.2
285.02509	1.4
324.12579	1.8
346.19647	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2893
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
55.05441	10.0
57.06983	1.5
59.73579	1.3
61.69506	1.4
62.06013	100.0
67.05420	23.3
69.06994	12.1
75.13760	1.3
76.76888	1.5
79.05396	6.2
81.06985	25.4
82.38297	1.4
83.08542	1.9
86.20675	1.6
91.05399	3.1
93.06949	2.7
95.08525	15.1
105.06997	2.7
109.10128	6.1
142.42819	1.4
178.37918	1.5
324.28888	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	324.2894
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
50.49260	0.9
55.05458	8.6
57.06997	2.6
58.20975	0.9
60.62591	0.9
62.06016	100.0
67.05083	1.4
67.05428	31.7
67.52390	0.9
69.06985	12.1
70.93135	0.8
71.08528	1.7
79.05399	8.1
81.06976	23.5
83.08538	5.3
85.02799	1.0
89.65431	1.2
91.05389	3.8
92.10316	2.0
93.06971	6.4
95.08523	21.3
96.13229	1.3
105.06966	2.4
107.08538	2.4
109.10107	7.6
109.56610	1.2
119.08572	1.5
121.10075	1.4
123.07929	1.5
123.11636	1.7
134.15855	1.2
158.94447	1.1
165.12848	1.7
196.52356	1.1
289.21484	1.3
306.24194	1.7
306.27802	2.2
307.26276	1.7
324.28870	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	324.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	5.4
55.32487	2.6
62.05726	4.2
62.06021	100.0
67.05426	40.5
69.06978	6.5
74.23444	3.2
79.05394	7.5
81.06981	28.6
85.02824	3.8
91.05376	3.2
93.06965	12.5
95.08547	22.8
98.97507	7.3
105.06965	12.2
109.10110	4.2
116.98552	16.0
121.10167	2.9
133.06419	6.4
134.99606	22.3
135.08041	7.5
186.18317	3.4
229.87645	3.1
278.00916	17.4
279.00601	3.9
324.28925	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	324.3256
Annotation	N-Cyclohexanecarbonyltetradecylamine
Peak:m/z	Relative Intensity
52.80827	0.4
55.05433	1.0
57.07003	6.3
69.06983	3.5
71.08538	2.1
72.04427	5.6
76.41589	0.5
79.52969	0.5
81.04150	0.5
84.08051	0.9
85.10088	0.9
86.09624	31.3
99.04751	0.6
102.67213	0.5
126.49654	0.4
142.12280	0.9
156.13777	2.1
208.81923	0.6
308.21667	0.5
324.32523	100.0
325.32886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.3257
Annotation	N-Cyclohexanecarbonyltetradecylamine
Peak:m/z	Relative Intensity
54.81815	0.5
57.07018	8.3
58.60807	0.5
69.06984	3.8
71.08543	2.8
84.08071	2.3
85.10102	0.7
86.09625	49.6
86.89942	0.6
87.15969	0.5
88.00128	0.6
92.10892	1.1
110.17263	0.6
130.98387	0.5
142.12250	0.7
156.13828	0.8
164.63013	0.6
171.40965	0.6
188.55336	0.6
283.60791	0.6
324.32526	100.0
325.32785	1.0
340.95230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71620	7.0
55.05439	15.3
57.06996	15.7
69.06985	26.8
71.08523	41.2
83.08527	8.0
83.82251	7.8
88.11182	36.9
88.80831	7.0
105.04700	7.3
107.08602	6.4
138.12151	6.6
144.44371	6.7
218.12234	7.0
218.14621	6.5
250.74164	8.4
272.86115	7.2
324.32526	100.0
324.35898	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	325.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	1.7
55.01816	14.6
56.04998	0.9
56.96485	0.9
57.03380	15.3
58.06535	30.6
59.06229	1.5
59.06881	7.2
60.05581	64.3
60.16528	0.8
61.02858	23.9
61.05278	5.5
61.05910	5.0
63.55325	0.9
69.03352	42.2
70.06513	1.3
71.01273	1.3
71.04904	2.2
71.07291	1.3
71.85526	0.8
72.08066	4.3
73.02836	13.5
76.02142	1.0
76.88899	0.8
78.01735	3.5
81.03335	6.1
83.01299	1.0
84.04428	8.5
84.08080	8.5
85.02831	100.0
85.08413	3.8
86.09616	1.2
90.05460	1.0
91.03872	11.0
97.02827	35.0
99.04391	7.8
101.02316	7.8
104.56882	0.8
109.02820	7.3
110.07141	1.6
112.11181	1.2
115.03876	3.9
123.04401	1.6
127.03878	39.6
127.08640	21.8
128.09006	13.0
128.28119	0.9
130.04985	1.0
145.04941	21.8
150.05513	7.2
151.05832	3.5
152.05743	1.9
152.07025	1.8
163.06064	3.0
176.06985	1.0
177.07515	1.0
185.02931	1.0
206.03297	1.2
219.07538	1.1
242.03273	1.2
248.54774	1.0
260.04303	6.6
265.13678	6.3
266.13870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	2.5
54.08572	0.3
55.01814	3.3
56.85976	0.3
57.03374	4.3
61.02848	0.9
66.35735	0.3
67.05428	0.5
69.03352	18.2
69.06998	0.4
70.06498	0.6
71.01221	0.6
71.04910	5.0
73.02813	0.8
75.85500	0.4
79.05410	0.4
79.25185	0.3
81.03338	17.5
84.08069	0.5
85.02824	2.2
91.05396	2.2
92.10864	0.5
97.02856	0.4
99.04392	5.5
116.04958	0.5
117.05469	0.6
118.06496	7.7
120.08051	0.5
125.43929	0.4
127.03864	0.7
141.75421	0.5
145.07574	12.4
146.66672	0.4
147.09152	11.7
151.03896	0.5
162.07838	1.5
163.08614	2.4
173.07077	15.3
174.78960	0.5
175.08621	5.9
191.08119	100.0
192.08502	3.2
205.09573	0.5
233.09088	1.0
271.10812	0.5
289.11911	0.7
296.88495	0.4
307.12796	20.4
325.13910	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	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14986	0.4
52.56238	0.4
52.99088	0.3
54.16500	0.4
55.01817	0.6
55.02580	0.4
55.05437	0.4
56.04971	3.1
57.03368	0.4
58.32651	0.4
60.52458	0.4
61.02841	0.5
65.03864	0.5
69.03334	2.8
69.06973	0.8
70.06515	4.1
71.04893	0.6
73.02833	0.6
76.57130	0.6
81.03303	0.5
84.04430	57.0
84.08066	2.7
85.02839	3.5
91.05409	22.3
92.34634	0.4
92.44394	0.5
97.02820	0.9
98.97499	0.5
102.05476	0.9
103.05421	0.5
103.69100	0.5
107.04900	3.1
109.02817	0.5
109.06487	2.2
109.10100	0.6
110.07100	0.7
116.98605	0.8
118.06494	1.1
119.04900	37.4
120.08059	12.6
121.06458	0.6
127.03848	2.2
130.04962	5.6
133.06462	1.2
134.06047	0.6
136.07559	100.0
137.05959	85.9
137.07747	1.6
138.06313	1.1
145.04817	0.4
145.48306	0.5
147.04390	15.8
150.09122	2.8
151.07515	2.4
163.03818	0.6
172.07806	0.5
177.10242	2.3
179.06995	33.2
181.04880	1.1
196.09666	33.3
197.10025	1.0
200.07043	0.6
202.08588	9.7
234.11224	0.8
246.08171	0.5
248.09140	1.9
262.10690	2.1
308.11307	3.5
325.13895	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70305	1.2
53.03896	1.4
55.01822	1.9
55.05455	1.7
56.04963	1.6
56.96486	10.5
56.98640	1.3
57.03382	12.6
57.07018	1.3
61.02843	7.1
65.13988	1.3
67.05422	8.9
69.03361	11.9
69.06986	1.7
70.06513	19.2
71.04903	7.5
79.74606	1.4
80.08326	1.3
81.03345	2.2
83.08539	2.0
84.04433	3.3
84.07596	2.3
84.08067	45.1
85.02823	28.0
85.06470	3.2
88.03098	1.4
91.05396	2.4
92.10945	1.3
97.02823	9.0
98.97520	5.4
101.02350	1.6
109.10105	13.6
112.28962	1.6
113.08837	1.6
116.98574	8.2
119.04887	2.4
120.08062	1.6
123.08212	1.4
123.09079	4.0
123.99307	1.5
127.03868	7.7
127.11136	11.6
129.10208	1.9
134.05986	7.0
134.99638	8.4
145.04910	2.2
146.05862	1.7
147.04395	2.0
152.07108	4.9
159.03261	6.0
163.03896	10.1
169.09706	7.8
177.63326	1.5
181.04933	2.3
184.02779	12.1
188.06100	1.7
197.05984	9.6
197.09169	1.6
202.03915	5.8
215.06963	10.3
217.08589	6.5
235.09619	8.3
245.09750	2.7
252.34874	1.8
263.10703	2.7
265.12134	22.0
281.11768	2.3
283.13232	80.3
301.14310	100.0
302.14453	2.1
307.17578	1.8
325.14343	41.2
325.18210	4.2
343.15375	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	325.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.6
54.97294	0.7
55.01783	0.7
55.05456	6.3
57.03363	3.8
57.06989	1.3
59.04933	6.1
61.02842	1.5
67.05428	76.3
68.13068	0.7
69.03329	4.5
69.06966	1.1
69.22727	0.6
71.04909	100.0
73.02834	1.0
75.04405	0.9
81.03336	1.3
81.06982	10.2
83.08526	8.0
85.02822	14.7
85.06464	9.2
87.00732	1.2
87.75785	0.7
91.03893	0.8
96.48680	0.6
97.02813	4.4
98.46898	0.8
101.29191	0.9
107.08557	0.8
109.10105	67.4
115.68987	0.6
127.03883	3.8
127.11154	34.2
145.04912	1.1
145.12216	34.7
157.66078	0.9
163.13261	24.0
179.58325	0.8
249.28941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2369
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.05445	27.3
57.06996	7.5
67.05433	29.4
69.03345	6.8
69.06989	41.1
71.08553	41.4
75.18755	3.6
79.05413	25.5
80.15076	3.9
81.06975	53.5
83.08517	4.2
91.05433	15.7
92.10191	9.3
93.06961	31.4
95.04861	8.1
95.08532	42.4
97.06448	9.2
97.10100	4.2
97.11855	3.9
98.97507	6.0
99.08012	22.1
104.15826	3.9
105.06970	9.8
107.08556	29.0
107.80835	3.8
109.06466	49.7
116.98562	4.1
118.01854	4.3
119.08541	17.2
121.06434	21.8
121.10072	8.5
123.07999	5.4
129.03647	4.6
131.08527	7.3
135.08038	7.0
139.11104	6.8
145.10228	5.9
147.11652	4.1
148.50470	4.8
159.78252	3.9
165.12709	77.9
177.12729	6.9
181.15790	8.9
237.25774	4.0
241.32364	4.2
261.22107	24.6
279.23013	4.5
289.21683	35.7
307.22620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	16.2
56.88809	2.6
57.03365	14.2
59.04940	3.6
67.05429	49.9
67.95976	2.9
69.06982	19.2
71.04902	5.3
79.05403	36.3
81.03316	3.4
81.06979	100.0
83.08528	4.6
85.06470	5.3
91.05395	19.6
93.06969	34.4
95.04913	4.7
95.08541	87.0
99.07987	3.4
100.00957	2.9
105.06969	19.4
107.08543	24.0
109.10101	30.1
110.47617	3.0
117.06953	7.2
119.08534	15.4
121.10085	17.0
123.08051	4.0
127.03875	4.3
131.08562	13.7
133.10114	5.8
135.07970	2.9
135.11649	3.5
145.10091	7.7
149.09557	3.9
159.11646	6.2
161.13223	4.2
187.14783	6.8
231.65094	3.1
237.18417	4.7
275.19916	5.8
277.98993	3.1
296.17752	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	325.2371
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.05442	35.4
56.96469	9.2
57.07008	11.6
65.17168	6.6
67.05414	35.8
69.03344	33.2
69.06982	45.6
69.41066	6.3
71.08530	14.7
79.05398	30.3
81.06969	65.1
83.08511	10.2
85.02815	38.2
85.06439	9.3
85.90687	8.4
91.05392	17.9
93.06966	45.8
95.04895	29.4
95.08528	47.4
97.02808	12.3
97.06425	9.1
99.04387	12.2
99.08058	13.2
103.03870	11.4
105.06973	37.4
107.08542	29.8
109.06464	100.0
109.10115	15.9
116.98540	10.6
119.08540	15.8
121.06412	10.7
121.10055	28.2
123.08046	39.2
127.03814	14.8
131.08517	12.5
133.10129	8.3
134.99634	17.9
135.07988	10.2
141.83696	7.7
145.10059	16.2
165.12750	67.4
177.12737	10.7
181.15932	7.6
215.11931	8.1
221.59857	7.6
251.16286	10.7
261.22052	17.4
279.00500	12.1
289.21503	72.6
299.03970	7.4
307.22641	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	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.31533	1.5
55.01804	2.7
55.05454	33.2
57.03362	4.0
57.06999	8.6
57.44639	1.8
59.04924	3.2
67.05425	44.2
68.41977	1.9
69.03365	5.9
69.06986	73.1
71.04908	3.2
71.08564	1.9
79.05407	12.6
81.06975	100.0
83.08539	24.9
85.02812	7.9
85.06469	12.6
89.56371	2.0
91.05386	6.7
93.06968	25.1
95.04913	2.9
95.08533	96.9
97.06449	4.1
97.10083	24.3
99.08051	4.1
99.68117	1.7
105.06953	17.3
107.08530	21.0
109.06475	2.5
109.10104	57.0
111.08035	3.0
111.11656	7.5
113.05987	3.0
113.09591	3.5
119.08521	11.7
121.10089	20.1
123.11667	20.9
125.09596	3.8
133.10080	7.5
135.08025	3.6
135.11681	11.1
137.09552	1.9
137.13234	9.9
139.11157	2.4
145.10069	3.4
147.11679	7.8
149.13182	7.4
151.14795	4.0
159.11650	4.2
161.13213	3.7
163.14764	3.2
163.81387	1.7
165.12694	3.1
175.14781	3.9
189.16367	3.8
203.42331	1.9
205.81807	1.9
207.53043	2.2
251.19954	2.4
256.95544	2.1
271.24136	7.4
289.25211	10.2
306.55621	2.0
307.26263	19.5
335.04242	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48689	0.5
53.03881	2.8
55.01821	4.1
55.05455	5.5
56.96503	0.7
57.03376	7.1
61.02861	14.8
67.05434	1.1
69.03352	22.4
69.06979	0.7
70.06512	6.1
71.04898	3.0
73.02819	3.8
77.73568	0.5
81.03341	9.9
81.06965	0.5
83.08538	13.1
83.67837	0.6
84.04420	1.3
84.08053	1.0
85.02827	100.0
86.03172	0.6
86.09624	1.4
87.04391	2.8
91.03867	4.7
91.05419	0.8
92.10294	1.1
92.34225	0.6
94.93307	0.6
95.08537	0.6
97.02827	26.0
99.04377	5.0
101.02368	0.7
101.09590	3.6
105.06940	0.6
109.02836	7.4
110.06023	0.9
110.07097	3.1
111.11749	0.5
119.08467	0.5
120.08064	3.5
122.06018	0.6
127.03878	19.1
145.04930	22.3
147.10188	0.8
163.06000	5.1
191.11414	0.6
329.76767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57983	0.4
56.93032	0.4
58.05932	0.3
67.98829	0.3
69.03344	1.6
69.06979	1.6
70.06499	2.1
72.08064	1.6
72.96647	0.4
83.06010	0.5
84.04421	0.6
84.08087	0.8
85.02822	2.2
86.09628	100.0
87.09964	0.4
93.57323	0.4
95.06013	0.5
95.46663	0.3
97.02809	0.8
97.78999	0.4
110.07113	8.5
122.07081	1.4
127.03833	0.7
132.10173	35.3
136.07565	0.4
145.04939	0.5
156.07704	1.5
160.08167	0.5
163.06064	0.5
167.09279	0.6
172.08195	1.6
189.03560	1.4
195.08780	0.5
231.04681	0.4
282.40768	0.4
285.16541	0.5
303.17700	2.3
326.18280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	2.3
55.13221	1.3
64.33605	1.3
67.35373	1.3
69.07017	1.5
80.03051	1.5
81.06967	2.0
98.08482	1.1
149.53674	1.5
155.01866	24.0
156.99809	1.9
171.01364	100.0
208.35065	1.3
221.10167	2.0
237.09599	10.3
303.18039	15.9
307.82272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15355	2.2
55.01777	2.5
55.05447	20.2
57.06998	13.9
64.69389	2.1
65.29498	2.5
67.05428	19.0
69.06997	27.0
70.31137	2.6
71.04880	3.1
71.08544	48.4
79.05399	17.8
81.06975	44.0
82.58064	2.6
83.04869	2.8
83.08533	5.1
85.06412	2.6
85.93223	2.5
91.05399	12.5
92.53567	2.8
93.06969	31.9
95.04878	4.7
95.08531	40.0
97.06455	12.1
97.10056	5.0
99.08014	25.1
105.06931	15.7
107.08535	21.8
109.06457	21.8
109.10091	14.7
111.08004	2.6
117.07016	3.0
119.08518	8.9
121.10088	10.8
123.08014	3.3
128.06627	2.6
131.08510	2.9
133.10083	5.8
135.11676	2.9
147.11694	3.8
149.13271	3.1
164.02350	2.5
165.12718	43.4
175.14824	5.8
181.23386	2.5
190.13377	2.6
193.15738	5.3
235.16823	4.0
291.19986	4.8
291.23132	87.6
308.25784	100.0
309.24115	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3049
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
53.92114	0.7
55.05454	14.4
57.07007	3.4
62.06018	100.0
67.05435	8.5
69.06988	17.4
70.97813	0.8
71.08548	1.1
77.85017	0.7
79.05405	4.7
81.06976	8.4
83.08531	7.9
85.03667	0.7
93.06964	4.7
95.08540	8.1
97.06488	0.9
97.10104	3.8
107.08556	1.3
109.10084	1.5
109.80778	0.8
121.10107	3.1
135.11682	1.0
198.66553	0.8
206.61598	0.7
247.68192	0.9
300.55212	0.8
307.39871	0.9
308.29422	1.8
309.27692	4.1
312.04361	0.9
326.30435	20.7
346.45255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.305
Annotation	(-)-Spectaline
Peak:m/z	Relative Intensity
55.01819	1.2
55.05447	18.1
57.07019	2.5
64.83434	1.0
67.05430	7.5
69.06987	15.3
72.04427	100.0
79.05408	2.6
81.06978	9.5
83.08531	6.0
91.05402	1.8
93.06950	2.1
95.08546	10.1
97.10088	1.6
100.07529	2.2
109.10097	2.6
114.09132	10.9
121.10092	1.1
128.10683	6.4
133.10089	1.3
142.12260	4.2
156.13800	2.7
170.15303	1.5
307.37549	1.2
308.29404	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.305
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
55.05449	17.4
55.10728	2.1
56.26106	2.0
57.07014	40.4
67.05414	20.8
69.06979	13.9
71.08556	29.3
72.04424	5.2
79.05405	2.8
81.06979	31.4
83.08542	4.0
93.06953	3.9
95.08532	16.8
97.10139	3.2
105.84636	2.5
106.88651	2.1
109.10132	8.8
115.68983	2.2
128.76425	2.4
141.12715	10.0
141.23158	2.4
154.21425	2.5
322.92682	2.8
326.26883	5.3
326.30469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51421	1.0
57.07010	11.2
59.28904	1.0
69.06977	1.3
71.04900	1.2
71.08547	8.4
74.05966	2.2
76.39134	1.0
82.87939	1.2
88.07555	18.2
102.09119	9.3
114.22018	1.1
115.12214	1.2
116.10643	2.0
124.82027	1.2
140.63976	1.1
158.15320	1.7
169.74316	1.3
179.29407	1.2
226.16556	1.2
256.26270	41.5
256.28790	2.1
296.27972	1.3
326.34109	100.0
327.34366	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	1.1
57.07014	9.2
60.08091	4.3
71.04916	1.1
71.08534	4.8
72.91934	0.9
74.05986	4.0
75.46169	1.1
83.08510	0.9
88.07552	10.8
97.06483	1.2
100.07629	1.4
102.09118	4.7
116.10663	1.6
130.12242	2.3
187.88795	1.1
195.83060	1.0
231.59341	1.0
284.29581	8.6
326.34119	100.0
327.34583	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	326.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16488	1.7
57.07015	5.2
57.60714	1.9
59.56004	1.8
60.08094	27.8
70.58771	1.9
119.38844	2.2
140.86598	2.3
244.46869	2.2
326.34100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	0.4
56.04963	0.6
56.96488	2.0
57.03383	0.5
61.55151	0.3
65.03852	0.7
66.29016	0.4
67.05431	0.6
69.03347	0.8
69.06976	0.4
70.06515	2.9
73.02819	0.4
81.03319	2.1
84.04450	0.8
85.02828	2.3
86.09639	0.6
86.35344	0.4
91.05405	14.5
95.04888	0.6
97.02743	0.4
98.97482	0.7
100.06377	0.4
105.06947	0.7
107.03498	0.5
107.04928	0.7
109.05051	1.0
109.06473	0.4
116.98586	1.8
119.04893	35.3
120.06498	0.4
121.06479	0.5
123.69341	0.4
124.05179	0.4
134.04587	20.6
134.99654	0.8
135.03062	0.9
135.04327	0.7
137.05923	1.0
140.02711	0.4
147.04387	100.0
149.01216	0.8
149.05939	0.8
149.99940	1.7
150.73077	0.4
151.03889	3.4
151.04909	0.5
152.05661	4.5
160.02470	0.5
163.07466	0.5
165.02278	14.8
165.05452	1.5
167.02559	2.4
178.03561	1.5
179.06923	0.4
182.04922	65.8
186.99178	0.6
193.00539	0.9
194.40056	0.4
208.02846	62.8
226.24339	0.4
291.08633	1.6
299.08957	0.5
309.09790	0.5
327.08524	6.2
327.14191	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	6.4
54.81380	4.6
55.01800	8.0
55.05449	54.5
57.03372	46.1
57.07001	4.1
59.04927	8.4
67.05422	64.0
69.03342	7.9
69.06980	58.0
71.04904	33.0
79.05398	72.7
81.03327	21.7
81.06970	100.0
83.04901	8.5
83.08538	22.6
85.06471	26.2
91.05404	50.6
91.58026	3.9
93.06966	70.8
95.04890	26.6
95.08525	48.7
97.06464	56.3
97.10075	4.6
98.97544	5.4
99.08018	20.2
100.07574	6.3
100.11179	9.9
105.06978	42.1
107.04898	10.4
107.08525	42.5
109.06464	32.7
109.10096	17.6
109.96003	4.1
111.04413	4.3
111.08078	4.0
113.05989	5.5
115.07482	8.7
117.06998	21.2
119.08549	31.0
121.06449	8.4
121.10090	25.1
123.08000	19.1
131.08505	29.8
133.06529	4.1
133.10072	24.3
135.08000	21.8
135.11639	7.3
137.09564	5.1
145.10114	22.6
147.11673	10.0
149.13254	5.9
151.03856	6.0
156.13843	8.0
157.10078	7.2
159.11638	7.7
161.09544	5.6
163.11212	5.1
177.12753	5.0
182.15385	8.6
185.13159	6.4
205.12271	5.0
217.15878	8.3
218.91383	4.9
221.15218	7.6
223.13239	4.1
273.18378	30.9
287.05481	6.6
291.19513	55.5
309.20514	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	327.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03669	1.0
53.00240	1.5
53.03876	2.1
53.53628	1.1
55.01808	8.7
55.05189	2.5
55.05451	60.4
57.03101	3.0
57.03373	77.1
57.07012	1.5
58.69832	1.4
67.05076	2.6
67.05425	68.5
69.03341	8.7
69.06986	34.3
71.04905	29.1
74.06015	1.2
75.04396	1.5
79.05407	56.1
81.03324	24.6
81.06502	2.6
81.06974	55.3
83.04895	12.4
83.08536	29.3
85.06467	8.5
89.95943	1.4
91.05398	31.5
93.06973	52.5
94.04107	2.6
95.04894	28.3
95.08533	100.0
97.06457	24.6
97.10098	37.8
99.08038	13.0
100.11197	7.8
101.11533	1.3
103.05350	1.7
105.06972	26.7
107.04868	11.7
107.08541	25.7
109.06470	18.9
109.10107	10.5
111.08037	2.4
113.05950	1.7
115.07510	5.5
117.06969	8.5
119.08538	18.7
121.06462	5.9
121.10104	12.2
123.08028	55.6
125.09580	25.5
127.07536	3.2
128.06137	1.6
129.06953	6.6
131.08517	15.4
133.06470	2.1
133.10089	7.9
135.08002	11.5
135.11678	2.0
137.06009	1.9
137.09572	2.4
139.11087	1.5
141.09100	20.4
143.08569	6.6
145.10095	9.0
147.04408	2.4
147.08028	6.2
147.11676	6.9
149.09622	5.9
149.13194	2.3
155.10587	2.2
156.13741	2.0
157.10146	2.9
159.11707	6.6
171.11699	3.5
173.13261	2.5
175.11188	1.7
177.12668	2.4
187.11105	1.4
187.14772	1.7
189.11179	25.7
190.17715	1.5
207.13753	1.6
217.15846	2.9
219.13792	2.4
221.15329	48.0
223.13359	2.2
232.41075	1.6
233.15303	1.6
251.16382	1.9
263.20041	1.9
273.18454	19.9
281.60309	1.3
291.19461	46.3
309.20462	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	327.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	3.7
53.03888	12.9
54.81364	2.8
55.01804	13.0
55.05455	81.0
56.96503	6.0
57.03376	89.6
59.04931	4.5
65.03835	3.1
67.05432	74.4
69.03359	7.4
69.06992	86.3
70.07322	13.8
71.04919	29.7
74.74237	2.9
77.71473	2.8
79.05417	59.1
81.03333	24.1
81.06982	70.2
83.04905	14.3
83.08537	26.7
85.02824	4.4
85.06464	7.1
86.04656	3.1
91.05416	44.0
93.06981	58.7
95.04881	31.2
95.08541	100.0
97.06460	19.9
97.10111	35.4
98.97505	15.8
99.08047	13.5
105.06983	32.2
107.04897	14.9
107.08556	28.7
109.06463	14.6
109.10103	5.3
112.11988	4.6
114.36765	3.7
116.98567	6.5
117.03384	4.6
117.06982	19.3
119.08536	21.8
121.06409	5.2
121.10132	17.4
123.08027	52.7
125.09589	21.7
129.02454	4.3
129.12706	5.3
131.08536	18.9
132.04108	6.5
133.10089	15.5
135.08058	3.6
137.05873	3.5
139.55652	3.7
141.09111	20.4
143.08554	6.1
145.10098	13.2
147.11649	4.5
155.97516	3.6
159.11696	4.0
163.11108	4.3
167.72014	3.3
174.33690	4.0
177.00690	4.2
185.13237	4.1
189.11192	25.5
191.05476	4.3
191.14177	3.9
191.28235	3.6
221.15344	44.4
223.13431	4.5
226.47221	3.2
273.18362	20.6
285.07529	7.1
291.19470	43.4
309.20496	12.1
327.13034	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	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	7.5
55.01806	5.4
55.05458	26.7
57.03374	12.3
57.07010	5.2
67.00702	3.3
67.05433	52.1
69.06993	34.9
79.05390	38.9
79.34569	3.2
81.03336	7.1
81.06976	58.4
83.08535	3.5
85.02854	2.8
91.05412	68.3
93.06973	92.8
95.04894	90.4
95.08540	65.7
97.06432	23.6
105.06973	100.0
107.08528	35.9
109.06458	12.9
109.10088	29.2
117.06934	27.6
119.08538	74.2
121.06457	16.9
121.10091	44.6
123.08010	13.6
123.11745	4.6
128.06160	15.6
129.06975	14.9
130.07755	14.8
131.08539	46.0
133.10092	53.4
135.08002	6.1
135.11661	6.2
141.06949	5.9
142.07771	13.8
143.08560	22.6
144.09285	5.7
145.10091	46.5
147.11661	8.2
149.09566	5.0
152.06177	5.7
153.06985	4.0
155.08556	12.8
156.09323	7.7
157.10091	23.5
159.07973	4.4
159.11626	32.3
161.09627	7.0
169.10103	14.6
171.11703	15.3
173.13220	12.2
175.14803	12.7
177.53754	3.2
179.08592	4.5
182.10931	5.7
184.12378	4.1
185.13306	5.4
187.11064	4.2
187.14787	13.1
197.13165	3.8
209.13248	5.4
211.14767	7.0
233.03722	4.6
327.07788	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	44.5
55.86975	6.5
56.89672	6.4
57.07011	19.9
64.20673	7.3
64.28282	7.1
67.02856	7.3
67.05418	64.6
69.06975	31.8
79.05398	56.2
81.06983	56.3
83.08555	11.2
88.73644	7.8
91.05418	73.9
92.10942	9.3
93.06971	100.0
95.04887	98.3
95.08527	92.4
97.06452	18.3
99.44968	10.5
105.06959	83.4
107.08525	48.2
109.06469	31.3
109.10087	15.5
115.13138	8.7
117.06968	14.3
119.08567	77.8
121.06496	17.8
121.10106	41.7
123.07978	11.5
131.08554	41.3
133.10100	59.9
135.11705	13.5
142.07732	13.7
142.51363	8.5
143.08525	39.6
145.10097	34.1
145.29028	8.3
146.09357	9.1
146.30878	8.7
147.11743	11.7
155.08588	11.0
157.10080	39.0
159.11674	33.0
169.10109	12.0
171.11656	14.2
183.11687	12.2
197.13176	9.3
208.37630	9.8
215.01909	10.7
225.63493	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	327.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46102	1.4
52.97710	1.7
55.05449	20.2
56.52820	1.5
56.96507	1.7
57.03370	2.5
57.06998	3.8
61.76013	1.5
67.05423	19.8
69.06987	17.2
71.04920	2.1
71.08546	28.5
79.05396	10.7
79.05802	1.8
81.06967	34.3
83.04897	3.0
83.08538	4.2
85.06425	1.6
91.05411	11.7
93.06966	23.8
95.04885	3.5
95.08541	24.2
97.06463	6.9
97.10095	3.1
99.08031	16.7
105.06985	9.5
107.08548	15.5
109.06458	7.1
109.10117	12.0
119.08565	7.7
121.10092	10.1
123.08005	2.2
123.11719	2.0
133.10091	2.4
137.47575	1.8
141.62064	1.8
145.10242	2.3
147.11641	2.6
149.13240	7.2
165.12695	13.0
193.15906	3.8
235.16771	1.7
291.23135	18.6
309.24191	100.0
336.49896	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	2.1
53.03876	5.8
55.01811	2.3
55.05455	19.9
57.03138	1.8
57.03379	27.6
57.07005	1.7
57.49904	1.1
59.04934	1.2
65.03840	1.9
67.05433	45.2
68.96748	1.4
69.06992	14.2
71.04911	8.1
74.75539	1.2
79.04961	2.7
79.05415	74.7
81.06983	53.7
83.04906	2.1
83.08537	8.2
85.06467	7.4
91.05412	71.8
93.06981	100.0
94.07294	1.9
95.04906	17.4
95.08535	36.1
95.46572	1.6
97.06433	3.0
97.10090	2.3
98.98399	17.8
105.06982	69.5
106.07344	1.4
107.08552	40.5
109.06458	9.2
109.10094	5.4
115.05430	1.5
117.06956	14.4
119.01987	1.4
119.08547	46.2
121.06449	3.1
121.10113	14.5
123.08024	2.5
128.06178	2.6
129.06953	12.2
131.08540	25.7
133.10112	23.2
135.08017	2.4
135.11636	6.6
137.09528	1.3
141.06987	1.4
143.08549	12.4
145.10110	16.4
147.11653	17.3
149.09554	2.6
157.10120	5.7
159.11670	14.2
161.13220	8.9
163.11128	2.3
169.10040	2.1
171.11548	1.9
173.13271	2.4
175.14732	1.6
175.95773	1.5
183.11588	2.0
185.13223	23.1
201.16417	3.1
203.14310	14.2
219.17336	2.8
221.15306	12.7
235.16718	1.4
239.17825	3.2
257.19040	12.2
258.75491	1.2
263.47922	1.4
275.20016	44.7
276.20197	1.4
281.02551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97476	2.3
53.03878	3.5
55.01805	2.8
55.05451	23.2
56.84684	2.1
57.03372	22.6
57.07011	2.3
58.57841	1.9
58.83487	2.1
59.04927	2.4
59.40417	2.6
65.03865	2.2
67.05428	77.0
69.06990	25.4
71.04905	4.0
73.40399	2.4
79.05410	80.7
81.06969	45.5
83.04887	10.9
83.08537	9.8
85.06460	10.3
91.05400	68.3
93.06973	74.3
95.04892	10.6
95.08530	46.5
97.06461	6.0
97.10084	11.3
105.06973	61.2
107.08537	100.0
109.06458	13.2
109.10098	16.5
117.06978	12.8
119.06016	2.6
119.08540	41.2
121.10107	27.8
125.09561	4.2
129.06947	3.9
131.08574	18.1
133.10117	28.5
135.11615	3.5
145.10052	18.9
146.02875	2.6
147.11649	11.8
157.10088	3.3
159.11639	11.1
161.13234	4.3
173.13249	2.9
185.13193	11.6
185.71300	2.5
217.15729	2.9
219.17349	4.4
221.15332	4.8
229.10355	2.6
239.17805	4.7
257.18909	10.3
275.19998	61.0
284.37927	2.5
352.95065	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27969	1.9
53.00246	3.4
53.03879	3.1
55.01803	12.0
55.05229	2.2
55.05452	38.6
55.76102	2.1
56.48422	2.1
56.96506	3.3
57.03384	19.5
57.07016	4.2
59.04923	2.2
59.12294	2.3
63.09401	2.1
65.03870	2.9
67.05074	3.6
67.05427	90.3
69.06989	51.1
71.04913	31.8
79.04955	4.2
79.05406	91.3
81.03316	11.9
81.06976	100.0
83.04903	12.0
83.08538	20.3
85.06466	12.9
91.05403	86.5
93.06968	80.1
95.04897	25.7
95.08535	74.9
97.06448	25.6
97.10054	3.3
99.07993	5.1
102.83598	2.3
104.99226	2.6
105.06966	65.2
107.04892	11.3
107.08546	41.0
109.05805	3.6
109.06471	44.2
109.10089	16.0
111.08022	5.5
113.05952	4.8
117.06950	19.4
119.08540	52.1
121.06457	11.5
121.10101	21.7
123.07996	17.7
123.11668	4.8
125.09593	2.6
128.06145	4.5
129.06960	22.5
131.08524	27.3
133.10092	25.1
134.99602	2.3
135.08025	4.3
135.11665	4.5
137.09535	8.2
143.08519	12.7
145.06482	2.3
145.10101	22.9
147.11661	21.4
149.09581	8.9
157.10133	3.0
159.11679	5.4
161.13219	15.6
163.11105	9.2
171.11630	17.4
173.13229	5.3
185.13234	4.8
187.14708	2.9
189.12701	16.1
203.14172	3.1
207.13765	10.5
215.14154	4.2
221.15324	3.5
233.15358	4.3
239.17909	2.5
257.18713	3.0
275.19894	17.2
293.20901	4.1
310.30997	4.1
328.19073	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	328.284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07018	36.4
67.05420	6.6
71.08527	20.3
72.08044	3.0
73.73884	3.6
81.06977	8.0
82.05630	2.9
83.08530	4.0
85.10101	4.3
85.17522	2.8
90.05478	100.0
92.11031	5.3
95.04898	3.8
95.08504	6.1
97.10005	3.4
159.19362	3.2
328.31839	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	328.3205
Annotation	Stearoylethanolamide
Peak:m/z	Relative Intensity
51.54748	2.2
55.84713	2.3
55.85073	2.1
57.07004	20.4
62.05716	5.0
62.06019	100.0
67.05421	4.3
70.74915	2.5
71.08544	16.5
81.06976	4.4
85.10098	4.8
92.10943	5.2
95.08529	6.3
116.12265	2.9
148.27325	2.9
270.29910	3.3
310.31030	3.7
311.29266	4.8
328.32153	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	329.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.8
53.17516	0.8
53.96036	0.7
55.01799	1.6
55.05452	2.1
55.10142	0.7
57.03376	1.6
59.96843	0.7
67.05425	6.1
69.03344	4.7
69.06981	1.5
71.04910	17.2
79.05418	29.7
81.06971	9.4
83.04910	1.7
85.06493	0.9
91.05415	20.0
92.05733	0.9
92.10320	1.8
93.06993	7.4
95.04905	7.8
97.06461	4.6
99.04397	15.3
105.06976	42.2
107.04913	20.2
107.08529	7.3
109.06474	4.3
109.10109	6.6
111.04388	2.0
113.05971	2.3
115.05346	1.4
117.06960	8.9
119.08537	48.7
121.06464	12.0
121.10059	1.0
123.08010	1.2
125.05901	1.2
128.06178	10.5
129.06981	7.1
130.07724	1.3
131.04880	0.9
131.08531	4.5
133.06479	4.0
133.10097	44.0
135.08002	2.0
137.09584	8.3
143.08546	19.1
145.06433	4.0
145.10143	2.0
146.07245	11.2
147.08031	37.0
147.09213	1.3
159.08022	1.2
161.09584	100.0
162.09941	1.5
165.09061	10.1
171.08012	3.8
174.06766	2.2
179.10616	8.9
185.38094	0.9
189.09076	15.1
191.66805	1.2
207.10149	20.0
225.11162	4.7
307.36127	1.0
311.10989	1.4
329.12283	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	329.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50154	0.6
52.52743	0.6
54.19379	0.6
54.81533	0.8
56.04968	0.9
63.07507	0.6
64.44259	0.8
68.71247	0.8
70.06494	6.5
70.34124	0.8
72.08051	0.9
83.06003	5.0
84.04443	1.7
91.05373	1.6
92.63718	1.1
93.04443	4.4
95.04878	1.2
95.05996	4.4
100.02139	10.3
105.03310	5.5
110.07121	100.0
116.07043	1.2
116.98589	0.9
118.06439	1.1
119.04877	1.7
120.05262	0.9
120.52389	0.8
126.05384	1.3
128.04929	1.3
134.99652	0.9
146.05992	61.6
147.04388	7.9
147.06372	0.9
148.04720	5.0
156.07657	13.5
166.04907	1.2
177.28465	0.8
213.06918	1.1
217.06390	3.5
223.04179	4.5
249.10886	3.5
265.10397	1.0
283.11835	10.3
311.11304	1.8
329.12210	14.4
329.15729	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	329.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	4.5
55.01804	13.2
55.05453	45.7
57.03366	20.8
57.07013	4.7
60.05254	2.3
67.05426	66.3
68.03132	2.4
69.03346	3.1
69.06645	4.6
69.06986	70.1
71.04909	47.6
73.52887	2.7
79.05405	65.9
81.03334	14.8
81.06973	100.0
83.04904	17.7
83.08538	14.9
83.81258	2.4
85.06487	10.1
88.21764	2.6
91.05406	50.4
91.77721	2.8
92.10843	2.8
93.06965	56.6
95.04907	30.4
95.08530	55.8
97.06446	34.9
97.10079	11.9
99.08022	23.4
105.06990	46.9
107.04914	3.2
107.08531	31.6
109.06459	41.6
109.10116	15.4
110.02943	3.0
111.08038	17.0
113.05936	11.7
115.07491	3.4
117.06963	13.2
119.08523	34.3
121.10089	25.6
123.08017	97.1
123.11604	4.0
124.08298	3.1
125.09625	4.6
125.39456	3.4
127.07497	5.5
129.06950	10.1
131.08505	23.0
133.10110	31.8
135.08011	3.7
135.11690	4.8
137.09575	3.1
139.11166	11.2
143.08556	3.5
145.10100	20.8
147.11658	24.1
149.09558	10.6
149.13280	4.7
151.11099	3.2
159.11659	12.4
161.13211	13.7
163.11139	3.4
171.11665	13.3
179.14383	4.1
183.35507	3.2
187.14839	5.0
189.12692	16.2
203.12683	4.7
205.15820	5.7
207.13777	6.3
222.78180	2.8
225.14862	14.9
227.21480	2.6
237.14839	13.2
275.19971	29.9
282.92975	2.9
293.21063	74.7
311.22186	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65158	3.8
55.05458	36.4
57.03364	5.2
57.07001	21.9
67.05428	100.0
69.06973	28.3
70.06496	6.4
71.08544	37.4
74.54417	4.6
79.05396	24.1
81.06969	93.2
82.58180	4.7
83.08516	17.7
85.10110	25.6
88.07546	6.1
91.05388	18.4
93.06960	30.9
95.08536	76.2
97.10110	6.5
97.98539	4.9
99.07990	11.0
105.06963	9.0
107.08510	8.7
109.10109	24.4
113.09597	10.3
119.08546	9.6
121.10105	7.5
123.11662	8.0
131.08545	5.9
133.10115	12.5
135.11688	6.5
147.11696	11.7
149.13194	5.8
149.97940	5.0
257.36243	5.3
279.23102	38.2
328.31927	19.7
329.32315	25.6
330.25992	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	330.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	0.6
55.05426	0.4
56.96502	0.9
58.99526	0.5
70.06515	10.1
74.00565	2.0
79.05419	0.8
84.04417	2.1
84.08066	4.2
86.09648	4.0
88.03901	3.4
91.05403	2.9
94.59801	0.5
97.02845	0.5
98.97495	0.6
100.02147	0.6
102.04668	0.7
103.05403	3.4
105.06989	2.1
107.04903	3.8
110.07114	3.0
116.98546	0.9
118.04120	1.0
119.04875	1.1
120.08058	16.4
121.01025	0.6
121.08413	0.4
123.02600	3.2
123.19675	0.5
129.10228	1.1
130.04118	2.1
131.04915	3.6
132.05646	2.4
133.06490	0.6
134.01834	4.2
135.02617	3.3
146.99637	0.7
147.04396	4.4
148.07568	0.6
150.05499	0.8
151.02098	6.8
157.03079	0.5
161.00497	1.2
161.01691	0.5
161.05925	0.7
162.01323	21.4
163.02078	6.3
164.59863	0.6
165.00011	0.6
165.03651	0.6
166.08611	2.9
167.07019	6.6
175.03839	2.3
176.04672	0.9
176.06992	0.7
177.05362	0.9
178.00859	0.7
179.01584	6.1
180.02145	0.6
181.03181	1.2
190.00792	14.4
191.01567	4.0
191.07027	5.5
192.06491	2.5
192.07936	1.6
193.03235	0.5
207.01105	1.8
207.08931	3.4
208.01884	11.1
223.04205	100.0
224.04491	2.4
262.48920	0.5
266.08008	0.6
284.91144	0.5
312.09012	4.5
324.14359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92880	0.4
55.01819	3.9
55.03957	0.5
55.05439	3.1
56.04966	1.1
56.96510	0.7
57.03376	0.7
58.99528	0.5
63.34213	0.5
67.04174	4.2
69.03354	0.9
69.06966	0.6
70.06511	16.0
71.12342	0.5
72.04427	0.8
72.08074	6.4
73.01049	0.6
74.00567	3.5
74.05985	1.3
76.11077	0.6
81.03304	0.8
84.04433	4.7
84.08074	6.4
85.02837	0.8
86.05995	2.4
86.09623	4.4
87.04382	2.3
90.05483	8.1
98.97509	1.1
99.02601	0.6
100.02136	100.0
100.11189	12.4
104.06998	1.3
107.04868	1.2
110.07106	1.2
116.07037	1.1
116.98573	1.0
120.08051	1.0
123.86059	0.5
124.07552	0.9
126.03678	0.6
126.05447	1.0
127.03883	5.9
127.20973	0.5
129.10201	2.6
141.10109	0.5
145.04291	0.7
146.02682	2.8
147.04366	0.6
151.03822	0.6
154.03204	4.0
156.01118	0.7
157.04340	5.6
158.02649	0.9
163.03828	1.1
170.02660	1.0
171.05786	0.6
172.04190	0.8
181.04932	1.2
182.02684	2.9
187.14346	1.1
199.05315	10.6
205.04976	0.6
209.16451	1.2
213.06889	12.3
217.06390	21.7
223.05887	1.0
227.17487	6.9
239.41431	0.5
329.15573	0.7
330.11194	13.4
330.15369	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37142	1.8
53.03885	9.8
55.05449	3.6
56.04976	2.4
57.03389	2.6
60.04454	3.8
63.20655	1.8
67.05423	2.5
69.03350	3.0
69.06965	2.2
70.28359	2.1
71.04906	3.6
74.01793	2.0
80.04917	2.6
81.03336	30.9
81.06979	4.2
84.04425	23.9
85.02834	37.8
92.10223	2.3
93.06971	3.9
95.08538	3.7
96.04423	3.0
96.40607	2.0
97.02817	12.7
98.05969	9.5
99.04376	12.9
103.03894	16.6
104.28476	2.5
105.06974	2.4
107.08509	3.1
108.04417	29.2
109.02831	35.3
109.06522	2.3
109.10078	3.3
121.10134	2.7
122.05988	11.3
124.03915	4.2
126.05474	100.0
127.03868	62.3
146.66330	2.2
150.05493	25.8
158.76239	2.6
168.06520	69.1
169.04941	35.7
210.07631	19.5
211.06018	4.0
228.08383	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	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	3.1
53.03887	1.1
54.81509	1.1
55.01814	1.1
55.05446	11.5
57.07015	1.2
66.51440	1.2
67.05428	29.0
69.03349	1.8
69.06989	10.8
71.04910	1.5
71.08547	100.0
79.05396	20.3
81.06976	35.1
83.08537	11.7
91.05399	23.7
93.06959	22.5
95.04885	2.1
95.08531	32.2
97.06452	4.9
97.10069	1.3
97.69806	1.2
99.08022	55.1
105.06979	13.7
107.08538	9.7
109.10128	4.9
111.08064	2.0
113.09588	2.2
116.10712	1.8
119.08536	12.8
119.11695	1.3
121.10103	6.1
123.08006	1.6
123.11697	1.3
125.09624	1.4
127.03881	2.5
133.10086	13.0
135.11682	7.0
145.10069	3.1
147.11696	5.1
151.11159	37.2
159.11699	1.3
161.13231	14.8
163.11140	17.7
171.11630	1.3
179.14305	15.5
185.18434	1.2
189.12711	1.2
193.15718	1.2
207.08498	1.3
241.19333	1.7
259.20581	5.8
262.97321	1.5
277.18744	2.3
277.21585	37.6
295.22574	15.0
353.86469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3363
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
57.07010	13.0
57.99781	0.5
58.06552	0.5
62.06017	0.6
67.61538	0.6
70.06140	1.0
70.06506	22.3
71.08540	4.9
85.10104	2.0
88.07552	22.2
102.09116	5.0
106.08611	12.2
149.82870	0.5
180.13271	0.5
252.65158	0.6
312.32590	9.4
330.33585	100.0
331.33997	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48652	0.5
53.03887	8.7
54.81510	0.4
55.58839	0.3
57.03371	0.5
57.57785	0.5
65.74265	0.4
67.05389	0.4
69.03320	0.5
71.04909	2.2
71.79340	0.5
74.23518	0.4
81.03342	46.4
85.02831	0.8
97.02831	23.1
99.04398	3.5
109.02835	100.0
127.03883	75.8
129.82170	0.4
130.39685	0.4
139.03812	3.1
158.63419	0.5
169.04944	7.6
227.68044	0.4
341.25668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1023
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.03893	1.9
55.01807	0.3
57.03369	0.6
61.02866	0.6
62.62463	0.1
69.03004	0.3
69.03351	4.7
70.06499	0.3
71.04906	0.3
72.06781	0.1
73.02833	0.6
73.30666	0.1
75.64996	0.2
76.55743	0.1
81.03339	6.9
85.02832	2.7
96.08036	0.2
97.02825	2.6
99.04400	1.2
106.96920	0.1
109.02834	3.4
115.03889	0.2
124.07587	0.3
127.03879	100.0
128.04257	0.7
145.04942	0.3
187.06035	1.7
279.24054	0.2
314.19678	0.2
331.10513	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	331.1021
Annotation	Pseudolaroside B
Peak:m/z	Relative Intensity
52.17514	0.6
53.03883	1.6
54.81329	0.7
55.01807	1.6
56.96503	14.3
57.03364	1.1
59.92076	0.6
61.02859	1.6
65.03861	1.7
67.01811	1.2
67.05416	4.9
67.21078	0.7
68.04938	0.9
68.99721	0.8
69.03343	7.5
69.06989	3.1
70.06514	15.0
71.04915	1.2
71.26076	0.7
79.05406	1.2
80.04920	0.8
81.03331	4.1
84.04415	4.8
84.08058	3.3
85.02828	17.1
86.09621	4.2
88.03917	1.0
91.05402	4.2
92.10329	1.0
93.06998	0.9
94.06490	11.5
95.04902	5.4
97.02823	4.3
97.06372	0.7
99.04395	1.1
102.05488	0.9
105.03336	1.1
105.06959	1.2
107.04877	1.8
108.86177	0.8
109.02843	3.9
109.99071	0.9
110.06005	1.1
110.07100	5.9
112.07508	1.0
115.08658	0.7
116.04953	1.0
116.98556	1.0
119.04893	1.4
120.05732	0.7
120.08031	1.2
122.05978	17.8
123.04376	15.2
127.03851	9.0
128.00171	1.8
128.98550	1.2
129.10208	1.0
130.06462	1.2
130.15848	0.7
131.04913	0.9
134.99629	1.1
140.07048	11.0
144.04395	3.5
146.01251	1.7
146.05984	8.4
146.99651	3.6
147.04407	3.7
148.07581	4.4
151.03888	41.1
151.04961	2.3
162.05476	1.0
163.03940	1.2
165.05321	1.3
169.04927	100.0
172.03877	10.9
175.03941	1.0
181.04930	11.0
190.04953	27.5
191.03697	0.9
192.06523	1.7
193.04935	7.8
203.03778	1.0
205.04788	1.0
207.06548	1.9
209.04793	2.7
211.06035	3.4
221.04826	1.4
229.03795	1.1
235.05957	4.4
241.08464	1.2
246.04344	13.3
247.06148	5.5
251.12396	0.9
259.05981	1.8
261.02728	2.5
264.05414	12.4
267.74860	0.8
277.07053	0.9
291.03827	1.1
308.04321	3.8
315.02963	0.9
326.05423	0.9
331.09564	0.9
331.13147	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	331.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06507	0.1
72.10143	0.1
72.80871	0.1
79.05405	0.9
87.35077	0.2
91.05415	0.8
92.10906	0.3
93.06991	1.4
95.04899	0.3
103.05404	7.0
107.04893	2.0
120.08060	100.0
121.08384	1.5
131.04892	2.7
149.05901	1.2
157.93646	0.2
166.08604	19.1
167.08911	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	331.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52795	1.0
55.01796	1.5
55.05453	23.5
56.04767	1.1
56.04977	19.6
57.03359	1.3
57.06996	6.7
58.99521	23.8
61.01079	2.1
65.03857	1.7
67.05423	30.7
69.06985	16.1
69.71951	1.4
70.06484	3.1
73.01048	2.1
74.00573	10.9
76.02143	18.8
79.05401	15.9
80.04910	2.2
81.06980	44.3
82.06499	2.0
83.04882	1.7
83.08540	16.1
84.08057	3.0
85.01048	7.5
86.00556	15.9
86.98978	13.4
87.02619	16.0
88.02128	6.1
88.03935	2.9
91.05393	10.2
92.10266	1.5
93.06969	22.7
95.08533	42.9
95.50371	1.3
96.08054	1.7
97.01050	59.0
97.06434	2.9
97.10112	6.0
98.09611	1.4
99.02605	7.4
100.02115	2.6
101.04170	6.3
105.00044	3.3
105.06968	3.3
107.08543	15.2
109.06423	1.9
109.10085	15.5
111.02609	2.3
111.08012	1.9
112.02107	1.5
113.04153	5.8
115.05738	1.3
116.05277	9.2
117.06979	1.5
119.08522	8.2
121.10104	8.9
122.02716	1.6
127.03855	1.9
127.05753	4.9
131.08548	7.9
132.01129	7.8
133.10091	6.6
135.11649	2.6
137.04158	12.3
139.05754	1.5
145.10123	1.4
147.11647	2.7
149.13179	5.0
151.05740	5.5
163.14748	1.5
173.13197	3.2
175.14806	2.7
191.14313	2.4
207.58945	1.7
208.16806	1.8
210.18494	100.0
225.13046	4.9
234.18427	3.3
236.20078	1.4
240.17801	6.7
251.14647	11.8
268.14963	1.4
268.17242	63.7
285.19839	7.1
286.18225	16.4
314.17740	22.0
331.20428	88.7
337.76248	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	1-Monopalmitin
Peak:m/z	Relative Intensity
53.00245	1.0
53.03893	1.1
55.05452	15.3
57.03365	7.1
57.07011	100.0
58.72380	0.9
67.05425	24.6
69.06984	15.2
71.08548	58.4
75.04381	1.7
81.06971	27.3
83.08540	15.9
85.10098	30.6
86.93185	0.9
95.08530	42.9
97.10090	6.0
99.14846	0.9
109.10101	15.1
114.36423	0.9
118.72724	0.9
123.11642	4.5
137.13185	1.2
143.37643	1.0
148.11317	1.3
152.62952	0.9
153.04137	1.1
239.23595	10.9
257.24600	2.0
257.28174	1.1
290.28104	1.2
299.70432	1.0
313.27307	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	331.2839
Annotation	1-Monopalmitin
Peak:m/z	Relative Intensity
52.69771	0.7
53.00244	3.3
55.05445	14.0
55.19926	0.7
55.59501	0.8
57.03367	7.6
57.07011	100.0
65.00653	0.8
67.05425	23.1
69.06989	16.3
71.08546	58.0
75.04383	3.4
79.05413	1.8
81.06973	25.2
83.08530	15.1
85.10101	26.7
85.10583	1.5
90.63667	0.7
91.18330	0.8
95.08529	40.6
97.10117	7.1
99.11658	0.9
103.07547	0.9
109.10107	15.0
117.47114	0.9
123.11634	5.3
125.13181	1.0
127.03861	2.0
137.13188	1.1
147.98972	0.9
239.23642	13.8
257.24747	1.9
313.27307	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	1-Monopalmitin
Peak:m/z	Relative Intensity
51.21394	1.0
53.00255	1.4
55.05460	11.4
57.03368	6.2
57.07012	100.0
59.57711	1.3
67.05427	25.9
69.07005	13.9
69.07323	2.1
71.08545	56.6
75.04401	1.9
79.21623	1.1
81.06973	26.1
83.08543	14.8
85.10107	27.1
89.05901	2.2
89.94921	1.3
93.67001	1.3
95.08530	43.6
97.10096	6.6
109.02842	1.6
109.10120	12.8
123.11628	6.9
127.03850	3.0
127.32635	1.4
137.13242	2.3
144.36998	1.2
164.90500	1.4
210.47092	1.4
220.07530	1.3
229.79501	1.3
239.23732	12.8
257.24637	3.0
274.30832	1.7
313.27292	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	2.3
55.05456	0.4
56.04980	0.4
56.96509	1.3
61.02836	0.3
69.03367	0.4
69.06998	0.4
70.06519	0.5
72.08073	6.8
73.02828	2.8
77.03845	0.4
79.05425	2.4
81.03363	0.5
81.06999	0.6
81.11063	0.3
83.01277	0.3
84.04432	10.4
84.04935	0.4
85.02849	0.5
86.09634	63.5
88.03937	0.5
90.05489	4.6
92.10897	0.3
95.04905	10.1
96.04404	0.4
96.86541	0.3
98.02301	0.3
98.97536	0.4
101.02337	3.6
102.05549	0.4
105.03342	100.0
105.15848	0.3
106.03654	1.5
107.04865	0.4
108.08060	0.4
115.21909	0.3
116.98590	0.4
119.03402	0.5
123.04407	4.8
127.08681	0.5
128.07054	0.5
129.01819	0.7
130.04997	2.1
134.99594	0.5
142.08678	0.6
147.02893	0.6
152.07082	0.5
152.10721	1.2
155.01781	0.3
161.01236	0.5
170.08122	0.5
173.07077	2.4
185.07124	0.6
185.16446	0.8
187.10886	2.3
197.12840	0.6
198.06656	0.4
203.12071	0.7
203.13889	13.2
215.09280	0.5
225.12340	0.3
243.13382	2.8
279.04907	1.8
279.78674	0.3
297.06015	2.9
332.13474	1.7
332.18018	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.134
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.02547	0.4
51.91624	0.3
51.91966	0.5
52.24184	0.4
52.89058	0.4
53.03870	0.8
54.40976	0.4
54.60430	0.4
54.92456	0.4
57.03366	0.7
61.02846	2.8
67.05416	2.9
69.03352	7.1
71.04897	0.6
73.02811	1.1
76.55982	0.5
79.05398	0.6
81.03334	0.7
81.04430	0.5
81.06985	0.5
85.02829	8.5
87.04391	1.9
93.05688	0.6
96.08038	0.8
97.02841	4.0
106.06504	4.3
108.08060	100.0
109.02820	0.7
117.15105	0.5
123.06743	4.5
124.06651	0.7
124.07541	16.8
127.03868	1.1
129.98428	0.5
134.05984	12.3
136.07547	11.4
146.88148	0.6
152.07042	67.4
152.48096	0.5
154.08591	2.0
170.08083	5.6
170.09335	1.0
203.06654	0.5
249.90085	0.5
314.12299	19.0
332.13336	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	2.6
56.96491	2.3
57.06996	0.6
61.02842	1.0
69.03342	0.7
69.06974	0.6
70.06490	0.7
72.08054	1.2
73.02814	2.9
79.05412	1.1
83.01230	0.7
84.08066	4.0
84.95950	0.5
85.02824	5.3
86.06004	1.2
86.09613	3.2
91.05398	0.5
92.10184	0.5
92.16121	0.5
95.04885	9.6
97.02824	0.8
98.97494	0.8
99.05502	0.8
101.02331	3.4
105.03330	100.0
105.04472	2.4
106.03666	0.9
107.04900	3.3
109.02818	0.5
116.98561	0.8
118.06488	0.5
123.04383	3.8
127.03838	0.6
129.01823	0.7
130.06491	1.0
132.08101	0.5
136.07632	0.5
143.00209	0.7
145.07538	0.6
146.07085	0.7
147.02876	0.5
147.04396	2.0
153.05464	0.5
157.13718	0.5
159.09201	0.7
160.08658	36.1
161.01215	1.1
162.99248	0.6
163.61107	0.5
170.07101	5.1
172.08647	53.3
173.07126	1.2
173.08977	0.7
185.16536	0.5
187.09740	15.7
196.08617	0.7
198.06599	30.8
199.06898	0.5
200.08136	3.5
201.06624	0.9
215.09230	2.9
216.07661	1.1
243.08694	4.2
261.09796	1.2
279.04834	1.1
287.11322	38.1
288.11661	0.6
297.05841	1.9
304.36755	0.5
332.13452	42.0
333.13834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88204	0.3
53.00224	0.4
53.03880	0.4
55.01805	0.3
55.05454	4.8
56.96484	0.6
57.03366	0.9
57.07007	0.8
58.99503	0.9
60.04438	0.6
67.05435	6.7
69.03342	2.8
69.06985	9.6
71.04908	0.8
74.00571	2.0
74.77433	0.3
76.02147	2.9
79.05414	14.2
81.03319	0.5
81.06973	9.8
83.04903	5.3
83.08549	0.5
84.04422	0.5
85.02808	0.6
85.06448	1.9
86.06000	4.0
86.06441	0.6
86.09630	3.2
86.98941	0.7
87.04399	5.5
88.03899	2.0
88.50502	0.4
91.05406	40.5
92.05705	0.5
93.06969	12.5
95.04905	9.9
95.08518	2.4
97.06480	0.7
98.97506	0.7
99.04369	0.4
104.07038	5.4
105.06975	56.1
106.07354	0.4
107.04890	3.3
107.08540	5.8
109.06470	12.8
109.10119	1.7
111.02593	0.4
111.04336	0.4
111.07957	0.4
113.05946	1.5
117.06969	2.1
119.08535	16.8
120.08064	0.9
121.06454	0.5
121.10097	1.0
122.02689	6.2
122.06010	1.6
123.04346	0.5
123.07978	0.7
123.11639	0.8
125.05943	4.3
127.07484	0.4
129.06963	1.7
131.08517	9.7
133.06471	2.4
133.10097	100.0
134.10524	0.4
137.04242	0.5
137.05946	5.4
145.10095	1.9
147.11668	22.8
149.09619	1.0
151.07538	3.9
151.11156	16.5
155.07011	3.8
157.10091	0.9
165.07362	0.7
165.12758	1.6
175.11148	7.9
180.04733	0.7
193.12215	21.4
211.13272	9.2
250.12555	0.7
255.06494	3.3
297.11624	0.8
314.14230	2.3
315.12534	5.0
332.15198	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	332.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.7
55.05262	0.5
55.05457	8.8
57.03375	1.5
61.02863	0.6
65.91548	0.6
67.05425	3.5
69.03323	1.4
69.06992	11.1
71.04913	11.0
79.05403	5.1
81.03299	0.9
81.06977	2.8
91.05399	18.3
93.06973	17.0
95.04888	4.5
95.08531	1.2
97.51338	0.6
98.51279	0.7
98.97504	2.9
99.04386	1.8
101.05965	0.8
105.06977	99.5
106.07295	1.4
107.08530	10.1
109.06471	4.0
113.05972	1.6
116.98574	0.8
119.08530	32.5
121.10077	5.8
123.07991	1.1
126.05491	0.9
126.63108	0.7
128.98604	1.0
131.08528	4.2
132.09380	1.2
133.10100	100.0
134.10405	1.6
137.05962	1.2
145.10097	1.4
146.99631	1.3
147.11671	44.8
148.11984	0.7
151.07541	4.8
151.11171	2.7
157.10109	1.2
161.01151	1.1
170.99478	0.7
175.11104	5.2
177.00703	1.4
189.00682	0.8
189.50348	0.7
193.12209	31.9
194.12556	1.1
217.96663	0.7
226.17166	0.7
237.02800	1.0
249.02939	0.9
277.35626	0.8
297.17380	0.9
351.05920	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03868	1.3
55.01789	1.4
55.05228	1.3
55.05452	24.3
57.03366	2.2
57.06985	2.8
59.19589	1.2
60.04455	32.2
67.05425	83.2
69.06983	22.0
71.04897	6.5
72.04419	2.2
79.05416	21.8
81.03347	1.8
81.06972	100.0
83.08542	13.0
85.06456	3.4
91.05399	16.0
93.06976	31.0
95.08530	93.1
97.06455	3.1
97.10084	6.8
105.06960	11.4
107.07883	1.5
107.08530	16.2
109.02817	2.8
109.06460	2.4
109.10101	31.4
111.07990	1.9
111.11649	1.9
117.06989	2.8
119.08505	9.4
121.10095	17.6
123.11619	10.7
127.03822	2.7
131.08531	6.5
133.10095	8.9
135.11626	10.6
137.13245	1.9
145.10072	2.6
147.11653	6.2
161.13197	7.3
165.12723	2.0
179.14311	3.5
185.04103	1.6
195.77847	1.4
261.21945	7.3
262.68472	1.6
279.23148	24.2
296.25809	2.2
314.26816	16.6
319.09354	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	1.7
56.04977	22.9
57.06770	1.4
57.07016	21.2
58.06538	11.8
60.04440	2.0
65.10930	0.9
69.06983	1.6
71.08547	8.2
74.05994	19.1
79.05396	1.2
81.06953	1.3
85.10104	1.4
86.05984	2.2
88.07554	84.3
92.10289	1.1
92.63634	1.0
95.08549	1.0
118.08608	14.9
122.08099	10.0
139.34845	0.9
284.29416	61.4
314.30536	4.8
332.31537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
68.55586	3.5
69.06979	3.5
70.06503	16.3
83.04926	4.9
84.04435	13.9
84.08084	37.3
86.09635	52.3
101.01622	3.6
105.03294	4.1
108.08035	4.4
130.06470	6.4
130.08607	5.3
132.08055	7.8
136.46399	4.1
152.03142	35.7
157.13324	9.4
158.05951	4.8
159.09137	35.4
170.04460	3.9
170.05997	6.6
204.06273	69.2
276.13220	4.2
282.92606	4.9
288.08234	8.2
288.16901	4.4
315.09399	31.9
333.10486	100.0
333.19409	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32533	2.3
53.42249	2.8
54.81794	2.9
56.96490	3.3
60.04471	2.4
67.05422	4.8
67.44013	2.5
69.06989	4.0
76.56405	3.0
79.05412	2.7
79.59346	2.4
81.06979	6.5
92.10281	6.0
93.06957	4.6
95.08538	3.2
98.97485	4.3
105.06955	2.5
109.10130	3.7
116.98577	6.5
123.07989	3.7
134.99632	4.8
147.76468	2.7
161.01285	4.0
229.09447	2.7
239.04491	3.3
315.19250	4.4
333.20319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16681	1.2
54.32758	1.2
60.73695	1.3
67.05459	1.5
70.30626	1.2
95.08555	1.3
108.82963	1.2
171.99832	1.4
192.69952	1.4
273.39627	1.4
297.33618	1.2
300.42316	1.6
315.19284	5.0
333.20322	100.0
334.20703	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05411	2.0
56.96490	4.3
67.92725	2.1
73.29832	2.3
81.07003	3.7
92.10237	4.6
98.97526	12.5
107.61594	2.6
116.98560	12.8
134.99637	9.3
150.93365	2.5
165.25470	2.4
165.37262	2.6
201.82230	2.7
203.35942	2.3
244.04803	2.3
311.06500	9.6
333.16266	3.7
333.20285	100.0
334.20807	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40962	1.9
62.54928	2.2
66.30827	2.0
67.05433	3.3
69.06985	2.5
69.69543	2.3
70.69235	1.9
81.06968	2.3
89.55614	2.4
90.00170	2.1
92.74052	2.3
161.83582	2.2
182.73071	2.5
315.19174	4.9
333.20291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2633
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
55.01812	2.9
55.05455	27.9
56.96501	3.8
57.07009	3.1
59.70433	1.9
65.03841	2.0
67.05430	88.6
69.03368	2.4
69.06988	38.5
71.04909	3.4
75.13014	1.9
79.05410	30.3
81.06975	100.0
83.04882	2.0
83.08555	13.8
85.06454	4.0
91.05406	11.0
93.06969	32.3
95.08539	81.9
95.09149	2.7
97.06451	9.1
97.10130	7.7
98.97527	2.1
101.61360	2.2
105.06976	8.7
107.08559	20.9
109.06503	2.7
109.10115	34.3
109.95483	2.0
111.04427	1.6
111.08116	2.0
116.98575	3.3
117.06969	2.4
119.08553	8.2
121.10085	14.6
123.11702	11.0
125.09607	1.8
127.03851	1.8
131.08548	2.7
133.10138	11.6
134.99669	2.8
135.11670	10.9
135.48543	1.8
137.13257	3.7
145.10100	4.1
147.11623	4.3
149.13287	3.8
151.11166	3.0
153.12756	2.1
159.11703	3.0
161.13219	7.9
173.13268	3.0
182.15768	1.7
226.18109	2.2
243.21028	3.5
261.22040	11.0
279.23145	60.0
279.37436	2.0
297.24213	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	334.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	30.2
55.05438	6.2
56.96503	6.4
62.29948	3.2
67.05438	3.3
69.06968	3.4
69.81576	3.5
73.02817	4.1
79.05405	3.7
85.02827	3.8
86.00574	37.7
86.86183	3.5
91.05406	4.8
93.06999	3.5
97.06432	5.9
97.49815	3.1
98.97501	5.5
100.02144	13.8
102.03693	4.7
116.01627	16.7
116.98557	5.7
117.05689	4.8
118.06481	13.7
130.06497	51.3
131.02725	54.5
132.08070	58.5
134.99753	4.8
139.05046	5.9
143.02740	61.7
144.08064	6.4
146.05994	5.2
151.03864	4.5
157.06216	4.6
158.02620	3.9
158.08372	59.1
167.07321	13.0
168.04852	3.4
169.07549	4.5
173.02921	18.0
174.03687	100.0
183.09195	3.4
185.03777	67.6
188.07025	8.3
191.04793	3.8
200.05238	6.2
203.04842	81.9
206.30328	3.7
217.06335	7.5
225.84996	4.1
267.28952	3.7
284.74405	3.4
302.50327	3.6
334.12018	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	334.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32806	0.4
56.04970	2.2
56.70348	0.4
59.72647	0.4
74.89098	0.5
82.03857	0.5
84.04427	45.5
92.10848	0.5
102.05459	0.6
115.05406	2.1
117.06975	1.1
118.06496	32.9
119.54875	0.6
130.04962	5.9
130.06487	4.7
132.08055	12.3
134.05588	0.5
142.06548	3.8
143.07275	3.0
144.04420	0.8
144.08066	20.6
146.05989	97.2
147.06367	1.0
159.09154	15.9
160.07555	2.0
169.07709	0.8
170.05966	8.3
175.29742	0.5
180.08000	0.6
188.07036	100.0
205.09706	15.9
225.10210	14.1
271.10617	1.0
317.11096	2.3
334.13812	10.0
343.78482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1395
Annotation	Trp Glu
Peak:m/z	Relative Intensity
55.01805	0.5
56.04973	1.4
56.96490	0.5
59.36437	0.5
60.04450	0.6
60.51127	0.6
66.00750	0.5
67.04194	0.5
70.06510	0.9
82.02854	2.4
84.04431	22.9
84.08056	2.8
85.02820	2.3
86.09618	1.3
87.09973	1.0
102.05489	4.4
112.07535	1.3
115.05423	6.2
116.07069	0.8
117.05715	5.2
117.06948	1.3
118.06487	5.3
124.09496	0.5
130.04930	2.8
130.06506	36.4
130.08597	5.0
132.08063	74.3
133.08383	1.2
142.06488	12.0
143.07285	1.3
144.04422	0.6
144.08075	45.1
146.05984	10.5
158.08318	0.7
159.09155	100.0
160.07558	9.1
160.09540	1.4
170.05978	34.2
170.07439	1.3
188.07045	10.6
205.09677	1.1
232.68663	0.6
243.04599	0.7
261.10178	1.3
275.10190	1.0
299.10214	2.3
306.67706	0.6
317.11285	33.2
334.13876	3.3
336.60455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1394
Annotation	Oglufanide
Peak:m/z	Relative Intensity
54.21515	0.5
56.04964	1.3
64.33471	0.5
84.04424	45.6
102.05499	0.7
115.05365	1.1
117.06950	2.4
118.06486	32.2
130.04990	5.4
130.06488	3.4
130.92224	0.6
132.08044	11.5
142.06459	4.3
143.07259	3.0
144.08046	18.9
146.05981	100.0
159.09131	16.7
160.07550	1.3
170.05959	9.0
188.07022	96.0
205.09682	16.5
225.10173	13.2
271.10596	0.9
317.11221	1.3
334.13895	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89447	2.5
55.01801	3.1
57.07003	17.4
66.95566	3.1
67.05419	6.6
68.61295	2.7
69.85152	2.8
71.08533	21.8
72.04426	94.1
79.05410	6.2
81.06969	16.4
89.05968	5.0
91.05370	3.5
93.06962	6.6
95.04883	29.1
95.08533	21.6
96.20034	3.8
105.06947	5.8
107.08503	11.4
109.06468	21.5
111.85413	3.3
114.09132	6.4
131.08577	4.9
137.09526	3.2
163.36224	3.6
165.12703	100.0
173.13173	7.2
175.10983	3.9
181.53621	3.3
191.14247	4.9
220.16817	3.3
236.20044	12.9
334.27304	49.8
356.59045	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	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06949	2.8
53.80961	3.2
53.96701	3.6
55.01803	4.0
57.07011	6.9
58.52573	3.6
61.24581	2.9
67.05424	6.2
69.06981	7.9
71.08534	8.5
72.04427	95.6
78.92891	3.2
79.05393	4.5
81.06966	17.1
93.06995	8.1
95.04885	17.6
95.08506	26.6
99.07992	5.0
105.06966	6.5
107.08533	7.8
109.06489	31.4
113.44075	3.4
114.09135	4.7
119.08525	4.3
128.10672	5.7
131.08557	4.9
133.10085	6.9
165.12729	100.0
220.16962	5.9
236.19957	19.7
289.21634	4.7
316.64209	3.6
334.27234	44.4
356.57822	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	334.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01796	4.6
55.05442	11.7
56.96498	2.5
57.07003	10.4
62.74110	1.7
67.05434	19.8
67.25713	1.9
69.03369	2.1
69.06992	21.8
71.08537	13.7
72.04430	18.9
79.05396	14.3
81.06966	31.6
83.08561	2.9
85.06472	2.2
91.05407	9.7
93.06982	23.7
95.04887	24.3
95.08528	24.9
97.06489	3.1
98.97529	2.6
98.98419	3.4
99.08044	3.3
105.06969	10.7
107.08524	17.3
109.06469	41.9
109.10093	10.3
116.98573	7.4
117.06915	2.9
119.01890	3.1
119.08511	9.9
121.06451	3.4
121.10063	3.2
123.08012	2.8
126.19651	2.0
131.08492	4.0
133.10101	8.4
134.99634	4.0
135.08017	4.1
137.09613	2.6
145.10100	3.4
147.11601	3.2
149.13264	2.7
165.12717	100.0
173.13268	4.0
175.11247	2.0
182.15379	3.8
185.03003	2.3
191.14233	4.8
220.16994	3.1
236.20045	10.2
242.99921	1.7
289.21613	9.3
311.06509	7.6
334.27338	40.0
335.21991	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22256	3.9
55.05452	5.7
56.96500	11.0
57.07014	75.8
64.32633	6.9
65.62448	5.3
67.05434	11.0
68.50861	4.2
69.06983	8.3
71.08546	5.6
72.04433	67.1
74.09630	73.9
79.63714	5.1
81.06970	29.2
87.55392	5.0
95.04874	19.6
95.08526	12.4
98.97512	33.8
101.85316	5.2
103.81662	5.6
107.04904	93.8
107.08609	6.7
109.06478	26.5
116.98595	25.7
119.08579	7.3
121.06456	11.2
134.99648	44.2
163.11136	12.7
165.12733	50.7
222.14850	100.0
251.04181	8.4
269.05078	6.1
278.21039	65.2
293.05423	7.8
296.50528	5.8
311.06506	29.8
334.27283	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49334	0.7
52.07579	0.7
54.80995	0.8
55.05444	1.1
55.49403	0.7
56.04972	9.6
56.75708	0.7
57.06817	0.6
57.07008	9.4
58.06534	12.0
60.04441	2.0
60.15169	0.7
65.26315	0.7
70.06505	1.9
71.08540	3.9
71.88543	0.9
72.08047	6.6
74.05981	8.8
86.05982	7.4
86.06424	0.8
87.04399	0.8
88.07549	79.5
92.10914	2.1
100.07550	3.4
104.07033	5.4
119.56329	0.8
132.10158	23.7
137.05949	40.7
141.38771	0.8
162.11243	5.3
166.10703	3.7
217.43971	0.9
228.23085	1.1
242.22243	1.9
242.24724	55.3
243.25246	1.7
254.24680	1.0
286.27341	19.5
306.17215	1.1
311.52737	0.9
316.28445	1.5
334.29440	100.0
335.21637	0.9
335.29855	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	334.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04758	0.6
55.05462	0.6
57.06773	0.6
57.07009	11.3
58.06524	3.6
70.06144	1.2
70.06508	33.6
71.08533	2.8
72.08077	4.1
82.99328	0.5
84.08063	4.0
85.10117	1.2
85.49764	0.6
86.09627	5.4
88.07555	11.3
89.05914	0.7
92.82785	0.5
98.85409	0.6
102.09106	4.3
114.09064	0.6
132.10172	13.1
145.71359	0.6
146.11739	12.6
149.59612	0.5
160.90617	0.6
184.20567	4.3
197.83670	0.5
210.22127	1.2
211.55318	0.5
225.35721	0.6
228.23193	20.5
272.25769	63.2
273.26166	0.9
334.29443	100.0
335.29788	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18235	0.9
54.75616	0.8
55.05436	1.8
56.96481	1.1
57.07013	11.1
62.88869	0.9
63.96576	0.8
63.96923	1.0
64.97805	0.9
68.08542	0.8
69.06992	1.2
69.21677	0.9
70.06515	26.6
71.08562	3.1
80.60472	1.0
84.08054	3.8
85.10098	1.4
86.09636	1.3
88.07059	1.2
88.07559	26.4
89.26440	0.9
98.97542	3.6
99.09773	1.1
99.94165	1.1
102.09124	4.6
114.09128	15.8
116.38570	0.9
116.98550	4.3
122.21921	0.9
132.10170	38.6
134.99570	4.5
151.70206	1.0
176.12791	4.3
182.38693	1.0
194.13821	8.7
228.23198	8.6
246.24229	5.1
259.45148	1.1
290.26791	1.8
334.29443	100.0
335.29630	4.9
357.52908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77007	1.3
54.35545	1.4
54.81130	1.4
55.05447	6.7
55.14091	1.5
56.04981	1.6
56.36320	1.7
56.96498	3.2
57.07001	2.9
60.04459	100.0
67.05418	13.0
69.06988	8.6
72.04418	2.2
76.72472	1.8
79.05413	2.2
80.04914	1.8
81.06979	10.5
82.06463	1.9
83.08538	4.1
84.04430	2.3
91.05359	2.0
93.06985	2.6
95.08551	15.7
97.06449	2.1
97.10102	2.7
98.97526	8.8
107.08547	3.4
109.10107	2.0
116.11495	1.8
116.98541	6.7
134.99611	10.5
143.00108	1.6
153.00713	2.5
167.30058	1.5
269.05539	1.9
280.26416	2.6
298.27322	3.6
302.65384	1.7
311.06473	6.7
316.28384	17.8
334.23636	2.8
334.29474	30.2
337.53909	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.31
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74533	4.7
55.05450	73.7
56.07305	4.6
62.18898	4.5
67.05402	9.4
68.70805	4.5
69.06993	12.5
70.06490	24.7
72.08063	89.7
81.06953	8.2
82.40769	4.9
88.96660	5.6
90.51805	5.7
96.63766	7.0
98.05992	90.6
103.23382	5.4
117.60516	5.3
126.09103	10.1
140.10707	10.7
193.12878	6.3
221.60539	6.8
334.31000	100.0
335.30881	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	334.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00231	1.3
55.01806	1.7
55.05451	52.7
57.07003	1.6
67.05432	12.0
67.64674	1.3
69.03333	1.4
69.06976	20.2
70.06507	15.2
72.08072	86.2
79.05398	2.3
81.06962	10.0
83.08537	2.5
95.08533	9.6
97.10110	1.9
98.05983	100.0
106.20129	1.5
107.04993	1.5
109.10117	2.6
113.08284	1.9
126.09090	11.1
140.10634	10.9
143.72643	1.7
154.12267	9.1
168.13803	3.3
180.76718	1.6
180.91194	1.6
182.15422	2.8
196.16924	2.1
334.30975	86.2
335.31247	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56874	0.5
53.03874	0.8
55.05442	1.0
56.04979	6.0
56.96489	1.0
57.03361	1.3
61.01070	0.8
63.76011	0.6
67.05415	1.3
69.03326	0.7
69.06960	1.3
70.06488	2.3
71.04895	1.5
72.08038	0.9
76.56275	0.5
76.85981	0.6
79.05378	1.4
81.03321	1.3
81.06975	3.3
83.04884	1.3
83.08509	0.6
84.04426	63.1
84.08076	0.8
85.02818	0.9
85.06429	0.6
86.09611	1.0
88.15204	0.7
91.05391	8.9
93.06967	2.4
95.04892	1.4
98.06010	0.8
98.97507	0.9
102.05457	3.1
104.05296	5.3
105.03293	1.3
105.06961	4.2
107.08546	1.1
109.02808	3.2
109.06492	1.1
115.05395	8.1
116.07028	0.7
116.98548	1.0
117.05698	1.3
117.06948	1.1
119.04900	12.8
120.08025	1.2
130.04956	6.2
130.06445	0.9
131.07239	3.4
131.08527	1.5
132.08052	21.8
133.06461	1.3
133.10066	1.0
143.04884	16.4
144.06544	3.9
146.06021	2.7
147.04384	32.5
147.06197	0.9
148.04694	0.7
153.00786	0.8
160.07539	100.0
161.05911	1.3
162.07576	3.7
170.05856	0.9
171.04372	20.0
188.07059	1.5
189.05443	25.8
189.07106	1.6
197.01308	1.0
206.08095	33.7
215.02177	0.9
224.06857	0.9
226.08600	13.1
272.09058	3.6
318.09586	3.9
325.11487	0.7
335.12277	7.7
345.02612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.7
55.05452	0.7
66.33385	0.4
67.05430	5.9
67.52981	0.4
79.05407	0.7
81.06965	0.9
84.08054	1.7
88.03443	0.4
91.05386	1.8
92.10915	0.9
93.06956	0.8
94.06484	6.8
95.04851	0.6
97.02780	0.5
118.22205	0.4
120.08050	0.6
122.05984	14.3
123.07978	0.4
124.07533	2.0
126.05455	0.8
132.07808	0.5
136.07550	85.0
140.07018	2.9
151.06281	0.7
164.07025	100.0
165.07373	1.0
167.20193	0.5
182.08092	34.4
191.48839	0.5
251.73064	0.5
255.06439	1.9
335.14545	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	335.1852
Annotation	Gibberellin A10
Peak:m/z	Relative Intensity
50.80546	3.1
53.03888	5.9
54.25998	3.1
55.05448	25.8
56.96489	4.5
57.03400	5.5
60.05584	10.2
67.05434	81.9
69.03345	8.0
69.06998	6.4
70.06503	4.6
71.04893	5.2
73.53724	4.3
79.05412	30.7
81.03352	5.3
81.06981	85.9
91.05405	52.3
92.05745	4.5
92.10835	6.8
93.06983	69.6
93.14681	4.1
95.04890	5.6
95.08547	57.1
97.06467	4.7
103.05445	5.8
105.03323	6.5
105.06984	100.0
107.08549	39.3
109.06428	7.3
109.10114	99.5
117.07006	8.5
119.01888	6.3
119.08550	55.5
121.10112	6.6
123.11577	4.6
125.60881	4.2
129.07010	6.1
131.08554	25.2
133.06509	4.1
133.10123	33.7
137.09624	25.9
139.07549	4.8
143.08557	19.9
145.03503	4.0
145.10107	24.4
147.11667	9.5
151.03896	25.9
153.09096	25.2
155.08554	5.7
157.10164	15.6
159.11646	8.4
163.03857	6.4
166.90511	4.2
169.10101	20.6
171.11789	11.6
181.10085	4.9
185.13228	7.3
187.04585	4.0
191.05083	6.2
191.10553	6.2
197.13295	5.0
199.14832	7.3
199.73236	5.3
222.46268	4.3
225.16353	4.5
229.15852	16.2
243.13774	5.1
253.15872	16.7
255.06482	6.8
259.16968	5.1
261.15115	4.6
271.05988	56.0
271.16891	94.4
289.18008	42.1
307.18939	28.6
317.17349	20.5
318.17773	4.3
335.10992	6.0
335.18524	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.219
Annotation	PGH2
Peak:m/z	Relative Intensity
55.05447	2.1
57.03374	1.8
67.05410	7.7
79.05390	2.6
81.06979	6.4
86.01488	1.3
91.05369	2.3
93.06960	2.2
94.94851	1.3
95.08499	4.2
121.10078	1.2
122.55183	1.4
169.01273	1.5
335.21875	100.0
335.25638	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	336.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81443	1.2
55.01809	8.4
56.04964	5.8
56.96506	1.1
58.06522	1.2
58.99512	13.1
60.96899	0.9
61.01074	2.0
69.03342	5.0
70.02885	8.6
70.06504	4.5
72.04416	7.0
73.01032	2.7
73.02827	2.2
74.00552	4.5
74.07114	1.2
75.02618	27.6
76.02144	44.7
79.09949	1.0
80.04928	1.2
83.06023	1.4
84.04429	100.0
84.08047	1.5
85.02823	2.2
86.03495	1.4
86.05994	77.1
86.09624	2.3
86.98969	4.8
87.04395	16.2
88.02142	14.8
90.03706	79.4
90.05483	15.8
94.46857	1.1
98.02351	16.2
101.00544	1.1
102.03704	9.8
102.05486	2.4
104.07035	18.7
110.07103	1.1
116.03410	10.2
116.98602	1.2
119.01791	2.5
120.01960	1.1
120.63943	1.1
126.05477	66.0
127.08592	2.4
129.06577	2.4
130.04977	12.0
133.03178	1.5
142.03188	9.0
144.04723	6.1
144.06543	38.1
144.74684	1.2
146.05994	9.0
161.02827	2.0
162.05806	6.1
170.02701	2.1
172.04231	34.6
174.11147	1.8
177.02208	1.3
187.05269	2.7
188.03691	1.1
189.06927	2.6
190.05299	85.3
197.01138	2.2
205.06413	6.9
207.07962	47.8
214.10590	1.2
215.02229	4.9
215.04721	1.6
229.06248	1.3
234.12291	4.5
247.07408	4.4
295.08694	1.4
336.12167	7.9
354.74957	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	1.7
53.53144	1.7
55.01804	1.7
55.05447	27.8
56.04963	11.1
57.07008	3.2
58.99512	7.1
62.06020	15.6
62.80674	1.7
67.05425	17.0
69.06984	76.0
71.04908	3.4
74.00564	10.6
76.02134	27.7
79.05391	16.7
81.06973	26.4
82.02859	2.1
83.04905	2.0
83.08539	7.7
84.04419	10.3
85.06445	2.3
86.01886	2.1
86.02326	19.8
86.09632	3.9
87.00748	7.8
87.02618	18.4
88.02131	14.3
88.03928	19.9
91.05387	8.5
93.06958	11.1
95.04863	2.5
95.08528	25.2
95.85606	1.6
97.06448	2.4
98.97478	2.1
99.02580	4.2
100.02148	2.6
100.03889	16.7
100.11181	2.9
101.04182	2.2
101.05937	3.2
102.00063	9.6
105.00034	2.8
105.06954	10.7
107.08543	16.4
109.10092	4.3
110.02335	12.7
116.01613	2.6
119.08527	10.9
120.01116	3.6
120.99486	3.3
121.10028	2.7
122.02660	14.7
122.34081	2.0
123.08028	2.9
124.11172	2.0
128.03387	50.1
133.10098	7.6
135.11638	10.5
137.13242	4.7
143.08838	9.0
144.01106	17.4
146.04439	12.3
148.00600	7.9
156.02852	4.1
161.13194	16.3
162.02162	29.6
169.10437	8.7
174.03935	100.0
179.14218	10.3
184.07248	2.8
190.01668	14.4
196.13243	13.3
197.15375	2.8
206.01120	3.9
208.02734	19.2
214.14241	6.1
243.54596	2.1
272.13101	2.1
276.00446	2.4
318.13745	2.3
318.17252	3.2
318.24124	2.6
336.18378	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	336.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	25.2
57.04877	3.6
67.05421	19.4
67.13190	4.2
69.06988	26.4
71.08542	32.9
72.04425	22.5
75.20209	4.0
79.05423	9.0
81.06981	33.5
83.08559	7.8
89.05989	6.2
91.05409	6.0
92.10921	17.0
93.06966	19.9
95.08521	19.9
97.06452	4.6
99.08021	5.4
105.06953	6.1
107.08530	8.2
109.06452	20.9
109.10121	6.2
116.76023	3.9
119.08466	4.2
121.10120	4.9
131.74609	4.4
135.58827	4.2
160.42984	4.0
165.12700	25.4
238.21594	6.8
254.88701	4.5
287.64639	4.3
291.23135	24.5
336.28925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	13.5
57.07010	4.3
61.95388	2.9
64.24078	3.3
65.94792	3.1
67.05416	15.3
69.06966	14.5
71.08556	25.1
72.04427	77.5
79.05417	5.7
81.06963	22.1
83.08527	4.7
93.06962	19.3
95.08528	17.8
97.06464	4.1
99.08014	7.4
109.06455	16.7
109.10081	7.6
114.09121	5.1
119.08524	4.5
128.10663	4.9
156.04082	3.4
156.13846	3.6
165.12724	15.8
177.03580	3.2
191.38519	3.4
201.38884	3.6
228.47168	3.7
238.21602	18.3
247.53339	4.9
291.23132	17.1
336.28848	100.0
347.67227	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	336.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10178	1.7
51.71872	2.1
55.05451	4.2
57.06736	3.0
57.07012	62.7
64.88238	2.1
67.05428	2.3
71.08553	44.7
81.06969	9.5
85.10092	16.1
89.05955	100.0
93.01521	2.6
95.08549	3.6
100.39546	2.6
107.07014	2.6
109.10123	2.6
109.76941	2.3
111.63699	2.1
113.79555	2.3
133.08574	15.0
138.86409	2.5
151.09608	39.4
189.77771	2.3
238.50658	2.3
246.75987	2.4
274.92017	2.4
319.28259	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	336.3259
Annotation	N-Isobutyl-(2E,4E)-octadecadienamide
Peak:m/z	Relative Intensity
50.43484	2.0
51.52531	1.6
55.05455	51.9
56.05793	2.2
57.07016	100.0
67.05422	15.7
69.06986	50.2
71.08549	4.3
72.08073	10.9
74.09637	55.4
77.28065	1.9
79.05415	3.9
81.06980	21.9
83.08537	16.4
86.05998	5.3
86.56686	2.2
88.63968	2.3
89.05951	9.2
91.05422	2.8
93.06973	3.1
95.08553	18.1
97.06490	2.2
97.10078	5.4
98.06017	4.6
100.07542	2.8
105.06960	4.1
107.08553	2.8
109.10104	5.7
111.07200	2.2
114.09090	2.4
121.10081	2.5
123.08048	3.2
142.12282	4.5
151.09666	4.0
156.13899	2.5
170.15314	3.7
212.20018	2.5
233.35176	2.0
336.32541	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99178	3.3
51.51551	3.3
53.00227	5.9
55.05450	79.1
57.07009	33.5
57.07246	4.1
58.59280	3.6
61.99218	3.8
63.36155	3.8
67.05424	73.8
69.06991	87.3
71.08537	9.2
74.59232	4.1
79.05402	9.6
81.06966	100.0
83.08531	41.5
85.10105	6.7
86.05984	4.9
89.05949	72.9
89.78198	4.1
91.05394	18.3
92.10889	5.6
93.06963	22.3
95.08533	86.1
97.06461	9.2
97.10114	29.8
105.06971	9.1
107.08537	19.3
109.10106	38.3
111.07996	8.5
114.09118	4.6
119.08521	19.2
121.10049	10.5
123.11641	17.2
133.10080	19.1
135.11575	6.5
137.09573	5.3
139.11035	5.1
142.12222	6.1
145.42159	4.1
151.09615	39.7
176.19585	4.7
176.49879	5.3
196.91814	4.3
301.28900	8.5
319.29846	34.2
336.32428	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	3.5
55.01823	18.7
55.05449	5.1
56.96497	2.8
67.05424	12.4
69.03344	4.7
69.06986	10.6
71.04902	3.5
72.08679	2.0
77.03875	2.3
79.05404	33.8
81.06987	4.7
83.04895	4.6
85.96719	1.8
86.14879	2.0
86.97449	1.9
91.05404	29.2
93.06978	23.1
95.04926	19.7
97.06460	13.7
98.97520	2.5
99.04405	3.5
100.11180	2.6
103.05400	4.9
105.06976	92.8
107.04919	11.5
109.06425	4.4
115.05399	4.9
116.98594	2.6
117.06950	19.4
119.08528	9.2
121.05661	3.3
121.06462	62.3
127.50146	2.4
127.66817	2.1
128.06189	2.5
129.06970	13.7
130.07761	21.5
131.08543	21.6
133.06476	21.7
137.05975	4.3
141.07005	15.7
143.08553	10.7
144.05687	4.3
144.09328	9.5
145.06474	26.1
145.10098	61.5
146.07222	2.6
153.06960	4.6
154.07721	11.0
155.08545	19.3
157.06493	3.4
158.07240	70.3
159.08026	19.3
159.11668	26.3
163.26517	2.5
169.10081	13.2
171.07954	2.9
172.08850	14.1
173.09584	100.0
178.07721	4.3
179.08591	3.0
182.07201	11.9
187.11169	34.6
197.09586	12.8
215.10596	28.0
233.11653	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82058	0.5
55.05454	0.8
56.04961	3.4
56.96494	1.3
65.03858	0.5
67.05415	2.1
69.78738	0.4
70.06516	0.8
72.08091	0.5
77.05250	0.5
79.05403	3.1
81.06976	2.0
83.04897	0.6
84.04427	82.9
85.02818	1.0
86.09625	0.7
89.03842	2.4
91.05396	2.7
93.07014	1.1
95.04900	0.9
99.84840	0.5
102.05516	1.7
103.05389	5.9
105.06971	0.9
107.04894	3.2
109.06436	0.7
117.03304	1.2
120.08054	100.0
121.08398	0.5
124.95000	0.5
128.98650	0.6
130.04965	94.3
131.04875	2.6
135.04379	2.5
136.07539	0.7
144.36304	0.5
145.02849	1.0
145.10074	0.6
150.05559	0.5
158.09656	0.6
163.03854	8.6
166.08600	15.3
168.08017	0.7
172.06029	4.6
184.07544	1.0
185.10675	2.5
186.09105	34.4
188.09248	0.7
197.01176	2.2
215.02283	2.5
215.11617	0.7
231.11279	2.8
232.09662	8.3
243.11398	1.8
244.09579	1.1
255.11137	0.9
259.10550	0.5
273.12308	4.4
277.11737	2.6
290.10104	0.7
291.13376	2.7
295.12881	1.1
301.11804	1.1
319.12793	6.0
320.11273	2.4
337.13971	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	337.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97810	0.6
55.01805	0.9
55.47025	0.6
56.04960	3.7
56.96500	4.2
57.10205	0.7
59.03607	0.7
60.05567	1.6
68.04939	0.8
69.00846	1.6
69.03356	1.1
69.06977	3.3
70.02881	1.0
70.06516	7.5
81.03364	0.9
84.04429	4.5
84.08076	3.5
85.02832	1.2
85.03938	0.9
86.03481	17.3
86.05992	0.9
86.09618	0.9
91.05404	1.1
92.10954	1.3
95.04878	1.1
97.02848	6.8
97.07565	1.0
97.84284	0.7
98.97504	1.6
105.03364	3.6
110.06112	0.7
112.07631	1.1
115.08649	0.8
116.07079	0.9
116.98589	3.3
117.06959	3.7
118.06506	0.9
119.05102	1.1
119.30441	0.8
120.08075	9.8
126.05466	0.8
127.05037	1.6
130.06458	1.4
132.08060	3.1
134.99597	1.4
136.07532	1.3
140.07079	1.4
143.07315	1.7
144.08070	100.0
144.75690	0.8
145.08336	1.2
146.06007	3.6
146.99644	1.4
147.04387	1.7
150.05453	2.9
156.08125	3.2
158.08110	5.2
158.09348	0.8
160.59148	0.7
176.07071	1.5
177.10272	0.8
179.08179	1.3
185.10713	3.3
187.08398	0.9
188.05499	7.4
188.07050	2.8
197.01187	6.2
203.08147	3.3
206.06645	1.4
215.02275	7.3
217.09604	1.1
234.12340	74.0
252.13234	1.5
257.17816	0.8
260.10223	1.3
290.10150	1.3
319.12634	1.3
337.05304	12.6
337.08987	3.4
337.13901	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	337.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85365	0.2
56.04975	2.7
58.06515	0.5
59.06075	0.3
60.05579	3.9
60.73577	0.2
62.61110	0.2
69.00837	2.3
69.10340	0.2
70.06136	0.3
70.06505	6.6
70.16827	0.2
71.06033	0.2
77.74563	0.2
83.06019	0.4
84.06813	0.3
85.07588	1.0
86.03474	24.2
97.07579	1.7
98.08380	0.2
115.08637	1.1
127.08609	0.3
132.08060	1.9
136.07547	0.3
141.06552	1.9
146.05992	0.4
148.03925	1.0
150.05473	3.9
158.05942	0.5
164.07056	0.9
176.07053	3.6
179.08122	3.3
203.08124	4.4
217.09724	1.6
234.12331	100.0
235.12666	2.8
252.13412	3.0
260.10233	2.5
278.11496	0.3
302.12384	0.4
319.15100	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28207	0.5
54.81504	0.6
56.04968	1.2
57.61124	0.5
58.06533	53.1
60.05579	100.0
70.06503	3.3
71.07272	4.5
72.04425	1.0
72.08064	3.4
82.02857	1.1
84.04455	0.8
84.08070	14.6
86.03466	5.8
97.17106	0.6
101.10712	1.2
118.06470	0.6
127.08636	54.7
130.06445	2.1
131.07277	1.0
136.07567	1.5
158.05971	0.8
162.05478	3.1
164.07033	13.8
176.07054	0.8
177.07744	0.9
185.15465	0.7
190.08630	5.5
233.09131	3.7
234.12328	21.3
240.58856	0.6
247.42325	0.6
252.17058	5.4
278.14935	14.3
316.93900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2346
Annotation	PGB1
Peak:m/z	Relative Intensity
60.73239	1.4
66.18584	1.3
71.05732	1.1
71.59377	1.2
76.45052	1.3
92.10291	3.5
93.06999	1.6
99.61734	1.5
166.05022	1.5
192.14299	1.7
202.02095	1.8
217.45476	1.5
274.64822	1.5
297.05569	1.6
314.95142	1.5
319.22366	19.6
337.23413	100.0
338.23953	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02024	3.5
55.05449	62.2
57.03378	45.6
57.37545	3.9
59.43005	3.9
67.05430	100.0
69.06991	56.2
71.08577	3.7
71.90752	3.8
79.05416	35.6
81.06973	98.8
83.08534	22.6
85.06483	4.1
91.05395	10.5
93.06963	25.9
95.08525	71.3
105.06989	7.3
107.08519	6.7
109.10084	30.9
110.54554	4.0
118.32204	3.9
119.08500	6.4
121.10093	4.7
123.11688	5.2
133.10097	9.9
136.27258	3.7
263.23593	5.9
310.68021	4.9
337.23584	11.8
337.27234	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	3.3
53.77656	0.5
55.01812	2.9
55.05439	0.9
56.96494	1.5
57.03369	7.4
59.04906	0.7
61.02855	13.5
64.32959	0.8
65.03854	1.3
67.05410	4.9
69.03006	1.2
69.03351	21.3
69.06979	5.5
71.04906	4.0
73.02840	4.7
81.03335	11.9
81.06986	2.7
83.01260	1.5
84.04440	2.9
85.02827	100.0
86.09629	0.7
87.04401	3.6
91.03880	5.3
91.05391	0.7
93.06973	1.1
95.04926	1.0
95.08536	54.2
97.02827	26.4
98.16241	0.7
99.04398	4.8
109.02827	6.9
110.03632	0.9
110.77594	0.7
113.09589	36.9
116.03152	0.6
116.98537	0.8
120.08084	0.8
127.03085	0.7
127.03902	14.7
130.05014	0.8
132.47624	0.6
134.06049	1.3
137.23862	0.7
145.04944	17.1
146.99622	0.9
159.10168	3.7
160.40465	0.6
163.05936	1.2
175.03891	0.7
181.04941	11.4
226.81015	0.7
281.03036	0.7
299.04315	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	338.2685
Annotation	Melophlin H
Peak:m/z	Relative Intensity
52.34970	1.3
53.00249	2.1
55.01821	1.8
55.05452	21.5
56.96508	15.0
57.03365	6.2
57.07005	7.2
62.06016	100.0
62.85565	1.5
67.05427	28.0
67.09655	1.6
69.06982	16.8
71.08542	34.0
79.05396	17.7
81.03326	1.9
81.06966	26.9
83.04869	2.9
83.08537	8.1
84.58176	1.8
91.05408	15.6
92.10252	4.1
93.06976	24.2
95.04900	5.9
95.08546	22.1
96.08829	1.7
97.06450	3.3
97.10089	1.9
98.05981	3.0
98.97512	61.2
99.08020	15.5
105.06979	11.5
107.04836	2.1
107.08534	14.3
109.10086	2.9
116.98569	90.2
117.06973	2.8
119.08548	16.9
121.10110	19.7
133.10120	8.8
134.99620	87.8
135.11687	6.0
145.10135	3.1
147.11655	10.5
151.11156	10.5
153.00671	20.6
154.94118	3.0
158.01204	3.1
161.13268	3.8
163.11172	2.6
165.12730	6.1
172.95253	16.0
175.11176	3.2
175.14766	1.8
179.14258	9.0
190.96530	11.9
208.96457	3.7
222.18451	18.7
228.97946	2.8
232.96465	10.0
240.19604	15.7
250.97487	9.7
256.96420	7.5
259.20435	2.2
274.97443	58.3
283.16821	18.5
292.98483	74.7
297.99152	2.9
300.28601	1.8
316.99176	2.3
320.25772	72.4
335.00143	2.0
338.23541	11.4
338.26968	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	338.3414
Annotation	13Z-Docosenamide
Peak:m/z	Relative Intensity
53.16541	0.4
55.02351	0.4
55.05453	0.9
57.06822	0.3
57.07015	5.1
58.31198	0.5
67.05434	0.5
69.06971	0.6
70.06506	1.1
71.08537	2.2
72.05283	0.4
72.08071	35.7
73.08383	0.5
85.10126	0.8
90.30056	0.4
92.10276	0.5
98.05973	2.0
110.89684	0.4
113.08350	0.6
125.22200	0.5
126.09143	0.8
128.10655	1.9
142.12254	2.8
146.24841	0.5
156.13799	0.8
190.29323	0.5
233.90656	0.5
302.72919	0.6
326.72675	0.5
338.34100	100.0
339.34509	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	339.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	0.5
54.81672	0.5
55.05444	7.4
56.04978	0.6
56.96492	2.3
57.03370	0.5
57.06997	3.2
58.06519	0.5
59.04918	0.8
60.05555	1.1
61.02826	0.5
63.76234	0.6
64.06566	0.5
65.03841	0.7
67.05428	31.6
69.03339	2.3
69.06978	2.7
70.06496	7.2
71.04906	100.0
71.08538	0.7
72.08079	0.8
74.04292	0.5
75.88043	0.5
79.05396	3.7
81.03295	1.2
81.06973	70.9
82.07308	0.6
83.08539	1.3
84.04418	1.1
84.08064	2.2
85.02834	6.8
85.06465	12.9
86.09615	2.1
91.05402	1.3
93.06923	0.7
95.04849	0.8
95.08525	6.2
97.02809	2.3
97.10082	0.8
98.97494	3.1
99.04412	0.8
99.08006	2.3
105.03335	1.0
109.02821	0.7
110.06016	0.8
110.07105	0.6
116.07031	0.7
116.94231	0.6
116.98566	3.7
119.04878	0.8
120.08046	3.3
122.05994	0.8
123.11656	14.0
127.03812	0.7
134.97627	0.6
134.99628	2.8
136.07533	2.4
141.12717	57.1
147.04401	2.9
159.13768	20.7
164.07010	2.3
177.14815	19.5
242.01286	0.6
255.05399	0.7
274.97577	0.9
292.98526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75334	1.5
52.60737	1.6
54.81436	1.6
55.05441	3.5
56.88990	1.7
57.07013	28.6
61.34932	1.5
62.06018	2.0
67.05415	3.1
69.06976	2.8
79.05383	2.8
80.66563	1.7
81.06983	2.9
89.47528	1.6
91.05402	9.2
92.10203	3.8
92.97308	1.7
93.06946	8.1
95.08516	2.1
105.06956	22.3
107.08536	2.6
116.98548	3.7
119.08531	41.2
121.06442	3.7
121.10091	59.5
133.10078	28.1
142.07693	2.4
144.67790	1.8
145.10048	2.9
147.11665	40.8
160.08766	3.2
175.11147	21.0
181.83630	1.8
283.16852	100.0
292.98633	3.7
339.22995	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	339.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	2.5
56.12751	1.0
56.96493	4.7
57.07001	1.6
58.10616	1.1
63.31509	1.1
78.33833	1.1
83.08536	1.3
98.97507	24.7
106.39562	1.2
116.98562	26.5
134.99605	17.2
153.00653	2.1
172.95210	4.9
190.96378	2.3
213.00017	1.4
228.97781	1.8
232.96408	1.7
250.97450	1.5
256.96490	2.1
274.66452	1.3
274.97458	16.2
292.98511	26.7
339.24973	100.0
340.25311	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	339.9828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32912	8.6
92.10213	14.9
120.28471	11.1
121.49619	11.3
139.02315	10.0
148.65117	10.0
165.36464	11.9
216.70848	11.6
219.94038	51.2
279.96188	100.0
339.98083	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	340.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03856	0.9
53.40702	0.8
53.55919	0.7
55.05436	0.9
56.96486	2.0
58.02906	7.9
63.31533	0.8
64.33332	1.2
71.85523	0.9
78.07029	1.1
80.68438	1.0
81.03304	1.0
81.61852	1.0
84.08029	1.0
85.02809	1.5
91.05385	5.8
92.64063	1.0
105.03323	1.6
105.06966	1.2
119.04913	17.0
120.08040	2.1
121.06439	9.0
130.27263	1.0
134.61423	1.0
134.99677	1.2
136.07454	1.5
147.04398	100.0
178.08594	59.2
196.62810	1.1
203.52017	1.1
208.08194	1.4
217.48299	1.1
219.39494	1.2
219.78789	1.0
243.16783	1.2
320.98849	1.2
340.13724	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	340.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81494	1.2
55.01815	3.2
55.05460	9.6
56.96500	2.3
57.06981	1.8
66.79238	1.2
67.05425	7.9
69.03352	2.1
69.06987	15.5
70.14432	1.2
70.18171	1.0
70.41126	1.4
71.04903	3.1
79.05413	19.5
81.06962	6.3
83.04894	6.9
83.08534	5.2
84.04437	2.5
85.06468	3.3
86.05997	8.1
86.09631	100.0
87.04399	6.5
91.05407	11.4
93.06973	18.3
95.04886	6.1
95.08539	1.7
97.06468	2.6
97.27464	1.2
100.11184	22.2
104.42475	1.3
105.06982	19.4
107.04900	7.8
107.08547	26.1
109.06482	1.6
111.04381	6.7
117.06989	9.5
119.08533	9.5
121.06472	7.9
121.10090	13.3
123.04348	1.2
123.07965	1.7
125.16527	1.3
128.10703	3.1
129.07022	2.1
129.76405	1.3
131.08527	24.4
132.10188	15.0
134.99576	1.5
135.04401	1.9
137.05986	1.8
137.09596	5.6
145.10127	13.5
147.07997	3.2
147.11697	2.4
149.05971	1.3
149.09587	40.7
163.11156	11.5
165.09065	2.5
167.10655	25.3
173.09564	1.9
182.15433	6.3
191.10600	20.0
209.11690	15.5
210.14877	8.0
215.38086	1.3
271.05972	7.7
276.19537	7.7
294.20557	2.7
322.19824	9.5
340.21417	1.8
343.30405	1.7
360.31238	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23679	2.0
55.05438	2.2
57.07009	4.0
58.06508	2.0
63.24736	1.7
64.58298	1.7
66.94828	2.0
67.05414	12.3
72.04419	18.2
79.05411	2.9
81.06961	10.2
92.64061	2.1
93.06966	4.0
95.08524	9.9
105.06900	2.6
107.08494	2.4
108.05663	2.8
109.10105	3.4
119.08524	11.2
121.06453	51.8
121.10090	2.2
123.11652	2.7
133.10068	8.8
135.08014	3.6
137.08665	2.3
137.09528	18.1
147.06322	2.2
149.09583	100.0
149.13269	2.9
161.09581	42.2
164.11952	26.7
177.12706	66.4
242.30026	2.3
284.17603	20.6
306.27756	3.0
340.23676	13.7
340.27151	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	340.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81527	11.5
55.05441	39.4
56.21542	9.9
67.05419	62.1
69.19939	11.4
72.04420	100.0
73.04796	11.1
79.05423	18.0
81.06961	64.6
87.02618	40.4
93.06956	11.4
95.08505	18.1
107.08567	14.3
121.10050	11.9
137.48351	10.3
162.64349	10.6
164.26263	10.8
250.93123	11.1
306.27808	24.2
339.29852	56.5
340.26694	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2817
Annotation	N-hexadecanoyl-L-Homoserine lactone
Peak:m/z	Relative Intensity
67.05408	0.8
98.97519	1.3
116.98545	3.0
134.99608	2.4
142.16568	0.7
163.11142	0.6
292.98444	0.8
293.98737	0.9
319.13663	0.8
340.28152	100.0
341.28360	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	340.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02029	1.4
53.83090	1.4
55.05456	12.7
56.96500	2.1
57.03362	2.3
57.07014	33.2
62.06019	100.0
65.03895	2.0
67.05426	33.8
69.06996	12.1
71.04946	1.7
71.08546	29.5
79.05409	12.8
81.03385	2.0
81.06973	31.7
83.08538	9.4
83.86154	1.8
85.10098	4.4
86.59363	1.8
91.05407	4.0
93.06983	11.3
95.08534	28.6
97.10076	2.5
98.06033	2.2
98.97503	3.9
99.08035	4.4
105.06989	2.4
107.08532	9.5
109.10121	8.6
111.66086	1.6
116.98583	12.1
119.08526	2.6
121.10143	3.8
123.11651	2.9
128.50003	1.5
134.99619	10.3
147.11690	4.0
151.82993	1.7
156.97424	3.1
174.98505	9.9
175.98586	4.0
176.98280	6.9
187.14743	1.8
194.99164	2.6
198.98569	11.3
199.98634	3.5
200.98251	6.7
213.00107	7.2
214.00247	3.6
214.99788	3.7
216.99446	2.9
218.99232	2.2
224.20033	2.9
228.97658	1.8
274.97556	2.3
278.51706	1.8
301.01669	18.1
302.01965	14.0
303.01416	18.3
320.02924	2.6
322.27359	35.2
340.28421	10.4
357.04266	3.6
358.04510	9.7
359.04190	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	340.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96215	3.2
55.05445	28.3
56.96495	5.7
57.07013	56.3
58.80343	3.9
62.06015	100.0
62.29511	3.6
67.05430	40.6
69.06980	30.2
71.08543	50.8
73.80514	3.5
79.05422	19.5
81.06985	46.4
83.04921	3.7
83.08532	18.9
85.10078	8.1
93.06965	8.4
95.08532	43.5
98.92955	4.5
98.97520	19.8
99.08014	8.6
107.08547	7.1
108.81168	4.7
109.10097	20.0
116.98586	25.7
119.08551	4.9
120.65565	3.4
121.10170	3.9
124.11239	4.0
134.99640	25.4
153.00758	3.8
154.00958	4.6
154.94174	4.8
155.83691	4.5
156.97507	6.8
158.97211	8.0
162.17372	3.8
163.14946	3.9
172.95271	5.0
174.98526	16.7
175.98579	4.2
176.98271	8.9
196.13353	5.9
198.98544	21.3
200.98344	6.2
213.00034	7.7
214.00352	6.7
214.14374	4.7
214.99855	7.5
216.99608	5.1
218.99269	4.0
221.78555	4.4
232.01189	4.0
242.21114	19.9
292.98553	4.9
293.98761	6.1
301.01663	29.1
302.01920	30.1
303.01495	29.4
322.27301	18.1
340.28448	50.1
357.04251	19.4
358.04468	7.4
359.04074	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	1.1
55.05452	27.2
55.69695	1.0
56.04972	1.7
57.07001	5.7
58.56055	0.9
60.04168	2.1
60.04456	44.3
62.23033	1.1
67.05428	19.1
69.06988	38.7
71.04902	1.7
71.08545	1.8
79.05394	4.7
81.06569	1.6
81.06982	25.8
83.08543	28.1
91.05405	8.0
93.06960	6.3
95.08530	24.0
97.06525	1.9
97.10113	13.4
105.06976	7.3
107.08524	7.1
109.10098	17.6
111.11640	2.2
116.98567	1.2
119.08523	5.6
121.10120	2.8
123.08037	2.1
123.11649	2.3
133.10092	6.7
134.13010	1.2
135.11703	1.5
137.09566	4.3
142.15887	18.8
147.11746	3.4
154.12268	7.7
161.13188	1.7
172.13326	5.2
174.38701	1.5
245.22578	1.6
263.23752	4.7
280.26248	20.8
280.45825	1.2
296.82697	1.4
298.27377	21.7
322.27292	2.4
340.28400	100.0
341.28665	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	340.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79586	2.0
55.05440	14.9
56.96498	5.4
57.06997	5.1
58.02881	3.6
60.03620	2.7
67.05411	16.6
68.93610	2.3
69.03287	2.4
69.06987	19.0
69.90181	2.4
70.29327	2.4
71.08556	23.9
77.80968	2.6
79.05396	5.4
81.06966	22.6
83.08512	4.7
90.11341	2.4
91.05389	2.4
92.10106	4.6
93.06951	15.5
95.08531	23.7
97.06454	4.0
97.10061	3.0
98.09576	3.2
98.97492	10.4
99.08014	11.0
105.06971	5.7
107.08524	14.4
109.06444	13.2
109.10081	6.2
116.98545	11.6
119.08574	4.3
121.10069	4.8
133.10056	3.2
134.99617	15.4
158.93617	2.6
165.12665	12.6
172.95193	11.3
175.14850	3.9
176.94426	3.1
190.96216	5.1
193.15746	3.2
198.14931	3.6
207.96342	2.5
224.20035	12.5
228.97665	2.9
274.97574	3.0
275.97440	3.6
283.16956	3.2
291.23083	28.7
292.98715	4.6
293.98715	4.6
322.27344	100.0
336.01074	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	340.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	1.1
55.05452	27.2
55.69695	1.0
56.04972	1.7
57.07001	5.7
58.56055	0.9
60.04168	2.1
60.04456	44.3
62.23033	1.1
67.05428	19.1
69.06988	38.7
71.04902	1.7
71.08545	1.8
79.05394	4.7
81.06569	1.6
81.06982	25.8
83.08543	28.1
91.05405	8.0
93.06960	6.3
95.08530	24.0
97.06525	1.9
97.10113	13.4
105.06976	7.3
107.08524	7.1
109.10098	17.6
111.11640	2.2
116.98567	1.2
119.08523	5.6
121.10120	2.8
123.08037	2.1
123.11649	2.3
133.10092	6.7
134.13010	1.2
135.11703	1.5
137.09566	4.3
142.15887	18.8
147.11746	3.4
154.12268	7.7
161.13188	1.7
172.13326	5.2
174.38701	1.5
245.22578	1.6
263.23752	4.7
280.26248	20.8
280.45825	1.2
296.82697	1.4
298.27377	21.7
322.27292	2.4
340.28400	100.0
341.28665	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	340.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13277	0.9
54.81617	0.9
55.05449	19.8
56.04976	7.3
57.07000	2.3
58.02894	21.8
58.06533	8.4
60.04446	1.1
61.74957	0.9
63.10122	0.9
67.05424	34.7
69.06983	42.5
70.06508	100.0
72.08066	1.7
73.90310	0.9
79.05409	13.1
81.06974	45.4
82.06499	16.1
83.07244	1.7
83.08539	4.3
84.04431	20.8
84.08067	6.2
86.09618	2.2
91.05412	4.2
93.06962	11.1
94.06494	5.3
95.04963	0.9
95.08531	43.7
96.08041	8.6
97.06480	1.1
98.09628	1.4
105.06973	4.4
106.06498	1.6
107.08534	6.2
109.10105	14.9
117.06962	1.2
119.08511	3.5
121.10099	4.0
123.08024	1.7
135.11662	4.3
145.10120	2.2
152.14302	6.6
162.12770	10.3
163.11096	1.8
168.17433	71.2
180.13799	22.6
198.13016	2.2
198.14854	65.2
217.81255	1.2
304.26147	1.2
321.26660	1.1
322.27356	1.9
340.28409	39.5
340.39340	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09803	0.9
52.33822	1.1
53.00246	1.6
55.05439	1.1
56.19294	1.0
57.06742	1.2
57.07014	26.6
59.04681	1.0
59.39996	0.9
62.39559	1.0
64.09450	0.9
65.79356	1.1
69.06986	5.1
71.04893	1.2
71.08551	2.9
74.05986	7.5
83.08517	2.3
88.07556	24.5
96.42399	1.4
102.09125	10.8
116.10664	2.2
130.12248	1.7
149.78989	1.2
162.93492	1.4
205.76411	1.5
241.44093	1.2
284.29413	55.7
340.35678	100.0
341.26523	1.6
341.36108	1.5
349.87161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25256	1.8
57.07007	10.3
70.93121	2.2
71.08543	4.1
72.08036	2.6
73.23353	1.9
74.09629	54.0
82.62650	2.3
95.53487	2.2
111.57880	2.5
116.86355	2.5
141.09048	2.3
144.13924	2.4
340.35693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.3573
Annotation	Docosanamide
Peak:m/z	Relative Intensity
57.07016	8.6
71.08549	1.2
72.04430	6.5
75.92612	1.2
78.85155	1.2
80.37948	1.1
83.35748	1.1
102.09123	1.7
116.10665	6.2
118.79800	1.2
130.44736	1.2
186.00464	1.2
189.42099	1.5
258.37048	1.3
295.60229	1.4
340.35699	100.0
341.36057	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05430	4.9
57.07001	2.8
60.04449	5.1
62.52246	2.4
67.05420	4.0
67.79777	3.3
68.05740	3.2
69.03379	3.3
69.06979	12.1
69.55013	2.5
71.44180	2.6
81.06989	5.5
84.19813	2.9
95.08521	6.6
95.44624	2.9
96.08875	3.3
96.38518	3.2
107.08580	4.6
149.06151	3.1
192.66042	3.9
280.26471	4.3
299.27689	7.3
339.11478	3.0
340.28491	3.6
341.26352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07011	38.6
57.13025	3.4
58.06525	4.6
59.76915	4.2
66.75655	3.8
69.72809	4.1
71.08542	23.7
83.08497	4.6
86.06013	5.6
86.37466	4.0
95.08536	9.9
95.18777	3.9
98.35229	4.4
103.08645	100.0
109.10095	4.7
141.61029	4.3
191.87578	4.8
235.61223	4.9
296.25818	18.6
342.37189	16.9
347.37616	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	342.3001
Annotation	(-)-7-Hydroxyspectaline
Peak:m/z	Relative Intensity
54.81503	0.5
55.05448	0.9
57.07014	16.8
58.06525	0.7
61.27322	0.5
62.06013	2.7
64.33219	0.5
64.95282	0.4
67.05434	3.7
67.49166	0.5
69.03350	5.9
69.06996	1.0
69.79730	0.4
71.08548	7.8
72.08054	0.8
73.46414	0.4
75.05091	0.5
79.09548	0.4
79.21095	0.5
81.06969	2.5
83.08543	0.9
85.02857	0.5
85.10102	2.7
86.05992	100.0
87.04396	17.9
95.08540	2.5
104.07044	11.8
109.10084	0.6
115.19820	0.5
120.18695	0.4
136.37131	0.5
146.48891	0.5
169.51074	0.5
174.18500	3.4
195.09561	0.5
230.24754	3.1
301.20084	0.6
337.30539	0.5
342.29968	4.1
342.37241	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	342.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88609	0.3
53.00235	0.6
54.81219	0.3
55.05437	0.8
57.06745	0.8
57.07010	18.1
58.06527	2.3
62.05760	0.3
62.06017	5.1
65.03879	0.3
67.05396	0.3
69.03337	1.5
69.06969	1.6
71.08544	10.6
72.08069	2.8
81.06955	0.8
83.08539	0.7
85.10098	1.8
86.05983	14.9
87.04389	3.4
95.08517	0.6
104.07033	2.4
107.96201	0.4
139.24823	0.4
156.17435	2.5
174.18477	7.9
212.23689	2.4
230.24695	7.4
303.81500	0.4
324.36142	0.9
342.37216	100.0
343.37579	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	343.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89752	0.6
53.03886	1.1
54.81752	0.6
55.01796	3.9
55.05447	1.3
56.96489	3.4
56.97697	0.5
60.46912	0.6
62.34327	0.6
64.33472	0.7
65.03855	2.9
67.05431	6.9
69.03339	4.0
70.06504	3.0
77.03815	0.7
79.05408	16.6
81.06512	1.6
81.06973	34.1
85.02805	5.5
89.03819	3.5
91.05400	10.0
92.10952	1.3
93.06973	36.5
95.04908	6.9
97.02844	0.8
105.06975	12.5
107.04887	1.3
107.08533	14.3
109.06475	12.3
117.03333	5.1
117.06960	6.3
119.08542	15.2
120.04404	0.9
121.06436	4.5
121.09218	1.3
121.10098	38.6
127.07515	12.9
128.06145	0.8
130.07762	5.3
135.08028	11.2
135.11650	14.4
141.05414	1.0
143.08517	3.1
145.02811	10.4
145.10100	52.8
146.10529	1.0
148.08765	0.9
149.05933	1.3
151.03893	16.3
151.04988	1.7
151.11137	12.5
163.11143	100.0
171.06541	1.0
177.05460	11.3
181.04880	11.3
181.12187	54.8
184.10031	0.9
185.10699	1.4
197.10765	1.1
232.02478	0.9
273.02585	1.2
291.03766	5.1
325.15366	8.8
343.12674	3.3
343.16525	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81297	3.6
55.05462	29.7
57.03365	4.1
57.07002	5.5
64.32924	2.9
67.05440	36.2
69.03365	6.5
69.06984	51.2
71.04903	7.7
71.08531	6.3
79.05405	5.6
81.06973	93.0
83.08525	16.2
85.02841	4.2
85.06461	13.7
85.48719	3.8
91.05396	8.6
92.19733	3.4
93.06968	24.6
95.08532	83.3
97.06464	3.3
97.10088	16.5
99.08058	4.6
105.06970	21.0
107.08516	19.6
108.90034	3.3
109.06435	5.4
109.10079	40.6
110.12663	3.4
111.11659	5.1
113.05966	3.9
119.08519	14.3
121.10094	15.2
123.11640	22.0
133.10077	7.4
135.11653	6.9
137.13234	6.9
139.11182	4.4
144.04414	3.7
147.11716	9.8
151.14709	3.4
156.30553	3.9
161.13148	7.6
175.14970	3.8
234.33806	4.1
267.43259	3.9
271.24066	4.4
289.25327	4.9
291.19333	3.9
307.26279	16.0
344.18231	100.0
346.79700	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	2.5
54.81611	0.5
55.01807	2.1
55.05442	1.0
56.04961	1.6
56.96490	0.7
57.03366	2.2
58.99508	0.7
61.01078	10.9
61.02840	3.0
65.12389	0.4
67.05431	1.6
69.03349	81.4
69.06995	1.0
70.06509	100.0
71.04909	1.8
72.08068	2.3
73.02839	0.8
75.02615	2.9
75.59676	0.4
79.05392	0.5
81.03336	31.7
83.04914	2.0
84.04434	0.8
84.08070	0.9
85.02827	20.0
85.26540	0.4
86.09628	24.5
87.02618	4.2
88.03928	1.0
89.04189	3.4
90.05456	0.5
91.03885	2.1
91.05408	2.2
95.04910	0.8
95.05986	0.7
96.15760	0.5
97.02810	6.8
99.04385	26.3
101.04185	2.6
104.05312	3.0
105.03334	1.6
107.04922	0.9
109.02853	2.2
111.02609	0.5
111.04399	1.1
116.07040	16.1
117.03680	6.0
119.04873	4.4
123.04423	0.7
125.07098	0.7
127.03883	3.8
129.03670	5.3
136.06172	4.1
137.06000	0.7
145.04909	3.1
147.04411	22.9
148.04791	0.5
150.05643	0.5
151.03903	0.7
165.05420	4.3
181.05048	0.5
183.14911	9.1
185.52870	0.4
185.85580	0.4
195.07848	0.4
196.06087	1.8
201.12373	0.7
211.14366	5.1
212.02434	0.5
213.12312	3.0
229.11906	0.7
231.09738	0.7
247.12894	1.0
344.09375	0.6
344.18332	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23101	0.4
53.03888	1.4
55.05449	2.2
56.03686	0.5
56.04986	2.1
56.96495	0.6
57.03373	2.8
57.71673	0.4
58.99512	0.9
61.01076	14.9
61.02857	4.0
65.71201	0.5
67.05430	1.0
69.03349	97.9
69.06975	1.3
70.03687	0.6
70.06509	100.0
70.32269	0.5
71.04897	1.2
72.08076	1.3
73.02831	3.0
75.02619	1.0
81.03335	37.1
83.04894	3.4
84.04424	1.3
84.08090	1.0
85.02827	26.9
86.09628	24.7
87.02618	5.4
88.03909	1.0
89.04199	4.8
91.03880	0.6
91.05407	1.1
92.10354	0.8
95.04901	2.1
95.06025	0.9
97.02827	7.4
99.04385	35.7
101.04180	2.9
104.05266	3.4
109.02837	2.6
111.04386	1.3
116.07048	19.0
117.03663	9.2
119.04901	3.1
123.04404	0.9
125.07133	0.6
127.03891	4.7
129.03670	6.3
136.06165	3.8
144.16931	0.6
145.04994	2.7
147.04576	15.2
163.03889	0.6
165.05392	1.0
171.07693	0.7
182.04956	0.8
183.11267	1.1
183.14882	9.2
196.05998	3.1
211.14326	4.2
213.12314	2.8
228.09598	0.8
229.09875	0.7
247.12872	1.3
302.78500	0.7
323.13361	0.7
344.18326	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	344.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71077	4.1
51.94701	4.7
53.34195	4.4
55.01830	5.9
55.05453	83.5
56.23097	4.2
57.07021	7.0
66.52201	5.2
67.05426	45.6
69.06982	24.5
71.08549	100.0
79.05402	31.9
81.03307	7.9
81.06973	40.7
83.08542	55.9
88.23374	4.9
89.05906	4.9
91.05398	21.2
92.10938	10.1
93.06956	36.6
95.04896	10.6
95.08516	20.5
97.10106	85.9
99.08011	48.8
105.06966	5.3
107.08559	56.2
109.10091	9.2
111.07996	5.6
117.06931	6.7
121.10101	9.3
125.09594	73.7
135.07990	8.8
135.11646	12.1
139.07581	7.4
145.10190	6.4
147.11630	6.0
149.61032	5.6
150.57645	5.1
151.11140	30.2
153.09100	8.6
161.13197	11.5
163.11122	7.9
179.33571	6.7
201.98074	5.3
203.12703	54.8
277.21600	57.5
291.23090	11.5
308.18707	5.7
309.24112	35.4
327.07764	27.7
344.31525	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	344.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	3.5
53.64784	2.7
55.01807	15.4
55.05452	68.9
57.03366	18.2
57.07005	21.7
60.04459	3.5
64.66274	2.8
67.05428	93.5
69.06994	48.1
71.04904	4.7
71.08544	24.2
74.06002	4.7
79.04969	4.3
79.05408	61.3
81.03358	9.4
81.06973	100.0
83.04889	33.2
83.08513	25.3
84.67357	3.0
85.00261	3.0
85.06477	4.4
87.04417	5.0
88.07546	14.8
91.05398	49.9
91.32657	3.3
91.60009	2.9
93.06979	94.5
95.04900	30.8
95.08547	57.1
97.06463	16.1
97.10094	13.2
99.08030	14.4
104.99209	18.9
105.06986	46.9
107.08540	42.0
109.06441	4.9
109.10101	28.2
111.08008	6.0
117.06959	16.1
119.08554	23.1
121.06384	3.4
121.10112	22.7
123.07981	7.2
123.11670	5.1
125.09601	3.9
131.08542	15.3
133.10100	14.8
135.08093	3.1
135.11674	19.3
139.11101	26.4
139.78951	3.1
145.10106	5.6
147.11656	13.2
149.13251	13.2
151.11121	5.3
153.11018	3.4
157.10124	4.2
159.11729	5.5
161.13237	12.8
163.11192	3.6
171.11652	4.0
175.14807	4.9
179.14192	4.3
181.41533	3.8
193.12231	3.8
195.13770	4.1
217.19322	3.8
259.20511	13.3
262.98187	4.7
277.21512	39.6
284.29391	4.4
291.23105	14.9
298.31073	3.6
309.24191	6.0
344.22241	6.1
344.31622	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	344.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37120	2.3
52.79387	1.8
53.03885	2.7
53.06271	1.8
53.08836	2.1
54.15531	1.8
55.01801	10.5
55.05446	40.5
57.03360	4.5
57.07003	10.2
59.04926	4.1
67.05077	3.7
67.05425	100.0
68.10225	1.9
69.03350	3.3
69.06985	30.1
71.04899	5.7
71.08538	5.2
71.52738	2.1
78.65081	2.1
79.05411	39.2
81.03338	8.7
81.06971	79.4
83.04879	12.2
83.08524	25.9
85.06461	11.7
91.05396	33.7
91.07201	2.0
93.06965	58.4
95.04904	16.4
95.08529	38.0
97.06461	11.7
97.10078	12.4
99.08029	9.7
104.99220	18.6
105.06969	22.1
107.08533	26.9
109.06432	3.9
109.10109	39.2
111.08027	5.3
117.06972	9.6
119.08549	20.1
121.10081	18.9
123.07984	4.5
123.11606	2.6
125.09581	2.7
131.08513	9.6
133.10069	4.1
135.08025	2.8
135.11655	12.6
137.09590	4.5
139.11145	9.0
147.11644	9.8
149.13216	10.4
151.11119	5.5
159.11765	3.2
161.13216	3.3
165.12712	2.6
173.11719	19.4
185.13196	2.5
187.13252	5.1
193.12294	2.8
195.13750	12.6
235.82297	2.8
249.22150	2.6
257.83594	2.4
259.20468	3.3
262.98148	4.7
277.21399	18.4
309.24197	2.7
310.79971	2.3
344.25510	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	344.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06426	3.4
53.03874	4.2
55.01805	19.9
55.05224	5.3
55.05452	100.0
56.96490	4.2
57.03365	11.6
57.07002	28.4
62.24264	4.1
67.05083	5.5
67.05429	96.9
69.03346	8.2
69.06985	56.6
70.06514	9.1
71.04895	5.3
71.08533	23.8
79.05420	75.6
81.06978	98.1
83.04893	29.2
83.08515	29.2
83.74223	5.1
83.74702	4.1
85.02831	5.7
85.06478	5.9
87.04374	35.6
91.05407	35.3
93.06969	85.4
95.04881	27.1
95.08532	60.7
97.06464	19.6
97.10094	37.2
99.08027	8.9
104.99203	32.8
105.06978	38.4
107.08549	48.5
109.10091	11.4
111.08041	7.5
117.06991	6.7
119.08527	22.0
121.10093	26.1
123.08038	5.2
125.09571	25.1
131.08554	6.3
133.10066	26.7
135.11617	10.2
139.11143	19.5
145.10060	5.7
147.11681	18.4
149.13231	22.8
150.17714	4.5
150.86803	4.7
151.11223	7.1
159.11644	6.7
161.13179	9.9
177.12740	4.8
195.13797	8.2
262.98074	19.7
277.21570	54.9
284.29422	23.8
291.23157	6.8
319.97589	5.0
337.38193	4.1
341.51501	4.1
344.31491	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	345.1444
Annotation	Tyr-tyr
Peak:m/z	Relative Intensity
53.03889	0.4
53.05611	0.4
53.84923	0.4
54.66810	0.5
55.01802	0.7
56.04973	1.1
56.96489	3.4
57.03373	0.8
57.41999	0.5
59.26389	0.5
61.01074	1.2
61.02839	2.4
66.31564	0.5
69.03347	2.8
70.06512	9.8
71.04887	0.5
71.06837	1.0
71.60307	0.5
72.08045	2.4
73.02827	2.0
84.04448	1.0
84.08047	1.0
85.02801	5.5
86.09636	3.2
91.03864	0.7
91.05410	40.6
95.04910	1.2
97.02805	2.2
98.97498	1.0
99.04398	1.0
104.05257	2.3
105.03310	2.5
105.06957	0.6
107.04885	2.7
109.06493	0.9
109.65325	0.5
110.07143	4.5
110.07729	0.5
116.07049	3.3
116.98537	0.8
118.06464	2.3
119.01856	1.1
119.04090	1.1
119.04900	28.7
121.10054	0.5
122.07114	0.7
123.04366	3.3
127.03910	1.0
130.06471	1.0
136.07556	100.0
137.07884	0.8
144.08087	0.6
145.03448	0.8
147.04355	4.9
155.01895	0.9
156.07640	3.1
157.82906	0.5
161.02934	1.1
162.05446	1.3
165.05420	3.0
173.02943	3.3
181.04880	0.8
182.07988	2.5
185.02963	1.0
190.95401	0.7
201.12407	0.7
203.04062	0.7
204.72466	0.5
210.28650	0.5
213.12350	1.1
214.12712	0.5
222.07487	0.6
245.04944	0.9
274.67438	0.6
345.14828	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49881	0.7
55.01822	1.0
55.05467	1.0
56.96489	1.8
61.08120	0.7
62.06012	1.5
65.90302	0.6
67.05417	7.1
68.04951	1.4
69.03342	1.1
69.06991	7.6
70.06503	5.3
71.53757	0.7
79.05442	1.0
80.04924	1.7
80.95751	0.9
84.04422	1.2
84.08074	3.5
85.02833	0.9
85.07401	0.8
86.09612	1.5
89.03838	1.8
91.05405	3.5
93.05709	1.3
93.06983	1.1
94.06495	32.8
95.04893	5.4
98.97505	0.9
105.03372	2.8
107.22043	0.7
108.08091	0.9
110.05994	3.7
110.07090	0.8
112.07557	3.9
116.04917	12.8
116.07039	1.3
116.98627	1.1
118.06501	1.5
122.05983	49.5
123.04398	1.8
133.08513	1.1
134.05936	1.3
140.07040	29.5
144.04413	30.1
146.05969	19.4
146.07045	0.9
147.04398	1.2
151.03928	1.0
162.05463	16.6
172.03899	100.0
174.05489	4.6
178.08603	1.6
181.04984	0.9
190.04993	1.6
204.06523	95.9
205.06908	1.0
206.08061	14.4
207.06551	0.9
232.55153	0.9
331.12738	3.2
345.14359	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	345.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04956	3.7
57.03369	2.2
60.05575	2.1
61.02847	1.2
69.03342	8.5
69.06981	7.0
70.06512	26.0
72.08061	7.2
72.70453	0.9
73.02830	4.0
74.05988	22.8
75.83402	0.9
77.00806	1.2
81.04457	17.0
83.06036	1.4
84.04425	6.4
84.08057	7.3
85.02824	9.3
85.07584	1.1
86.09626	100.0
89.07082	1.9
91.03873	1.7
95.06030	5.4
97.02814	4.0
97.06464	9.8
101.00825	6.5
112.08713	1.6
114.06602	1.6
115.08662	5.4
116.07043	8.0
118.03452	6.4
119.01878	60.4
119.08116	10.2
120.01978	1.0
122.07105	82.4
123.07433	1.2
126.03709	13.4
127.03867	1.9
129.10191	4.1
130.03465	1.6
131.01878	2.5
132.10159	4.0
136.04530	2.6
136.07504	1.0
137.01955	1.8
137.02939	32.3
143.01897	1.2
143.11786	1.2
144.08669	1.4
145.03400	1.9
155.01860	2.3
158.09218	4.0
160.08162	10.9
161.02939	5.2
162.09766	10.0
169.03377	1.2
172.08147	20.0
173.02954	8.4
173.06581	1.2
175.11858	6.8
183.04897	1.1
184.09576	1.4
185.02925	4.1
186.09729	33.0
189.03439	2.0
190.09259	6.6
191.07590	4.6
195.07532	1.6
197.06700	1.5
203.03947	2.0
204.10799	23.0
208.10321	4.2
211.11896	2.1
214.09212	20.9
215.07629	2.4
224.01389	4.6
228.14583	1.4
229.12886	1.3
230.11267	4.4
232.10263	97.6
233.08537	1.7
233.10681	1.4
239.15967	2.1
245.05032	4.0
246.15509	12.0
255.11810	1.8
257.16803	1.5
258.15436	2.2
264.07526	1.7
273.16568	1.6
275.18112	5.7
285.16589	12.6
286.14954	2.1
303.17587	54.8
321.18829	8.5
329.28412	1.2
345.07587	1.7
345.18546	1.5
345.22372	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	345.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	3.7
55.01805	12.2
55.05452	25.0
56.96503	1.8
57.03373	21.9
57.07014	2.4
64.02195	1.4
65.03851	1.9
67.05425	50.0
69.03338	11.1
69.06985	27.9
71.04907	33.9
73.06451	1.6
73.91288	1.4
79.05408	36.6
81.03338	31.7
81.06973	57.6
81.39696	1.6
83.04898	13.7
83.08523	16.5
85.02832	3.2
85.06456	13.4
91.05398	25.8
92.25060	1.9
93.06969	39.6
95.04893	100.0
95.08528	37.9
97.06454	24.4
97.10083	11.0
98.97503	2.2
99.08013	10.2
105.06963	27.4
107.04890	18.7
107.08532	23.6
109.06466	64.4
109.10094	17.8
111.04398	3.4
111.08015	9.3
113.05964	2.0
114.37360	2.4
117.06976	13.0
119.08521	20.8
121.06469	16.5
121.10113	18.1
123.07124	2.2
123.08013	64.0
125.05857	2.0
125.09579	9.4
127.07539	2.9
129.06964	3.8
131.08524	25.6
133.06464	4.1
133.10098	13.2
135.07991	11.7
135.11624	7.3
137.05931	2.8
137.09589	7.9
139.11131	2.3
143.08560	7.2
145.10072	8.9
147.08031	4.2
147.11656	4.4
149.09572	20.3
149.13182	2.4
153.09056	3.9
153.12769	1.9
157.10176	3.9
159.11642	13.1
161.09615	7.7
163.11145	6.9
165.09119	3.0
169.07640	12.6
173.11784	2.8
173.13269	8.2
175.11136	3.1
177.12700	12.3
183.11607	2.2
185.13124	1.8
187.11076	2.0
195.13763	3.8
199.14879	1.8
200.02373	2.5
215.08138	7.7
219.13690	2.5
221.15335	10.3
223.13248	7.0
225.14722	2.2
237.14790	18.1
241.14296	1.9
251.16435	2.0
273.18378	14.0
283.12036	2.5
291.19467	88.1
292.19815	3.4
309.20566	14.3
327.21616	2.9
347.29745	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	3.5
55.01803	13.5
55.05455	30.8
56.96498	4.3
57.03106	2.3
57.03374	54.2
60.02139	1.9
62.40218	2.1
65.03854	4.5
67.05430	61.9
67.28311	2.1
69.03342	13.4
69.06988	100.0
71.04909	56.7
72.20045	2.4
75.26225	2.0
75.99303	2.3
79.05406	63.9
80.79836	2.2
81.03343	19.6
81.06976	72.4
83.04903	11.4
83.08526	17.8
85.02792	3.8
85.06471	16.5
89.03828	3.1
91.05405	42.9
93.06972	55.4
95.04898	32.9
95.08527	32.7
97.06463	61.8
97.10113	4.0
98.97513	15.2
99.08012	31.4
101.00835	2.2
105.06968	41.2
107.04897	17.2
107.08544	35.7
109.06473	38.8
109.10107	5.7
111.04402	3.5
111.07986	8.5
113.05918	5.1
115.07540	29.8
116.98559	22.4
117.03313	4.2
117.06966	19.2
119.08521	36.0
121.06438	18.6
121.10097	21.6
122.10333	2.5
123.07996	14.3
123.11635	8.5
125.05913	2.5
125.09621	3.2
127.07494	13.1
129.06941	12.7
131.00113	2.9
131.08533	30.5
132.01245	2.9
133.10094	22.9
134.99617	8.2
135.08028	14.4
135.11667	4.7
137.09624	3.9
139.11147	2.5
143.08566	8.9
145.02809	9.9
145.10094	14.7
147.08031	12.8
147.11653	10.8
149.01183	3.3
149.09593	12.9
149.13242	3.0
157.10075	3.8
159.11684	5.8
161.09593	13.6
163.11192	4.7
171.10229	2.7
171.11652	5.8
173.01210	3.4
173.13234	4.1
175.11211	3.1
177.00612	9.6
177.05457	9.9
181.04904	26.5
185.13220	3.5
191.14360	2.6
199.14731	3.7
206.96860	2.5
217.15761	5.1
221.15288	9.3
233.15303	11.2
235.16907	3.4
251.16345	20.6
263.19879	3.7
269.03198	3.8
273.18430	24.2
286.95178	2.5
291.19479	64.1
309.20627	24.1
329.12027	3.0
359.29507	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	345.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97308	2.0
53.00251	2.1
55.01812	10.5
55.05449	15.6
57.03379	39.0
65.92734	2.4
67.05428	50.1
69.03326	2.7
69.06992	100.0
71.04538	4.3
71.04906	52.8
73.02814	2.8
76.06641	2.1
79.05412	52.7
81.03358	18.9
81.06979	71.7
81.18034	2.6
83.04881	4.2
83.08546	11.3
85.06459	11.1
91.05405	33.7
92.10971	7.6
93.06969	45.7
95.04890	33.1
95.08552	32.3
97.06471	49.5
99.08018	34.6
105.06966	30.7
107.04922	11.8
107.08563	27.0
109.06474	33.6
109.10110	5.3
113.05972	3.5
115.07516	31.8
117.06956	13.0
119.08540	20.7
121.06467	12.9
121.10104	14.0
123.08017	14.1
123.11694	4.2
127.07546	11.1
129.06944	2.7
131.08546	19.3
133.10106	12.8
135.08040	11.4
135.11653	10.6
142.65909	2.2
143.08595	3.4
145.10088	10.4
147.08037	5.0
147.11713	13.1
149.09656	10.0
157.10133	3.4
159.11626	9.8
161.09683	3.5
163.11067	2.4
173.09543	2.6
173.13269	2.9
173.37474	2.5
177.12718	3.7
185.13237	2.8
187.14783	3.5
195.13759	4.4
217.15833	3.4
219.13823	3.4
221.15276	3.3
229.06470	2.5
233.15308	3.9
237.14716	3.0
249.79414	3.1
251.16255	19.4
273.18546	18.8
288.22055	2.4
291.19568	53.7
309.20645	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	345.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	7.8
55.01805	12.8
55.05453	30.5
57.03103	2.3
57.03374	52.1
57.52882	1.8
59.13843	2.0
67.05424	67.1
69.03335	9.4
69.06985	37.3
69.27652	1.9
71.04910	35.0
79.05403	62.9
81.03336	25.1
81.06974	86.3
83.04903	5.3
83.08524	15.1
85.02834	3.5
85.06467	17.8
89.01628	2.0
91.05398	49.0
93.06977	56.0
94.44704	2.1
95.04901	28.8
95.08529	41.7
97.02822	4.1
97.06464	100.0
97.10091	4.5
99.04398	4.4
99.08019	45.7
105.06978	46.4
106.15761	2.0
107.04908	26.4
107.08536	44.0
109.06445	28.1
109.10104	13.6
111.08022	3.1
113.05936	4.3
115.05317	2.5
117.06985	23.1
119.08541	29.3
121.06435	15.2
121.10104	22.4
123.08016	5.5
123.11613	4.9
125.05993	3.0
125.09527	2.6
127.07519	5.5
129.06931	5.3
131.08536	31.5
133.06465	5.1
133.10107	21.1
135.08031	19.6
135.11642	11.8
137.09543	2.7
143.08537	5.5
145.06445	3.1
145.10097	17.3
145.11075	2.4
146.07137	2.7
147.08058	8.6
147.11667	11.8
149.09538	12.4
149.13213	8.5
155.08521	5.5
157.10057	5.5
159.11659	9.3
161.09607	20.1
171.11600	8.4
172.45985	2.1
173.13269	4.7
175.11140	2.6
177.12737	3.7
191.14227	2.4
195.13817	8.9
217.15843	5.6
219.13664	3.4
232.05524	2.5
233.15346	12.7
251.16414	19.6
256.01663	2.6
258.32220	3.0
263.20108	4.2
273.18436	23.8
291.19516	34.2
308.87854	2.4
309.20523	17.3
318.30624	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	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	1.6
55.01799	1.1
55.05459	1.2
67.05418	4.1
69.03345	4.7
69.60401	0.7
71.04913	15.2
73.91903	1.0
76.55824	0.8
79.05421	24.9
79.21365	0.8
81.06976	11.2
83.04895	0.9
91.05409	16.2
92.10317	1.7
93.06970	4.0
93.23886	0.9
95.04885	4.8
97.06474	6.2
99.04385	17.8
100.81588	0.8
105.06976	29.2
107.04898	21.7
107.08542	4.5
109.06444	3.5
109.10107	4.3
112.47062	0.8
113.05943	1.6
115.05405	1.4
117.06982	5.9
119.07665	1.3
119.08533	38.0
121.06511	7.2
125.05958	4.4
126.05167	0.8
128.06172	6.9
129.06978	5.5
130.07774	1.1
131.08575	1.5
133.06450	1.9
133.09076	0.9
133.10098	40.3
137.09624	8.5
143.08546	20.7
145.06490	3.9
145.10139	3.6
146.07242	10.4
147.08034	35.1
161.09587	100.0
162.09962	1.1
165.09114	9.3
171.08043	3.3
174.06706	1.8
179.10645	11.5
189.09077	15.0
194.66452	1.1
207.10126	29.1
225.11194	3.7
293.10327	2.1
311.11267	6.2
329.08841	1.0
329.12238	28.0
355.97028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1973
Annotation	Leu-Val-Asp
Peak:m/z	Relative Intensity
55.05461	8.4
55.54944	0.9
56.96508	4.6
57.03365	1.7
58.46178	1.2
59.23708	1.0
61.02859	1.0
68.27958	1.0
69.03349	4.3
70.06515	6.5
72.08074	100.0
72.93713	1.3
73.02834	1.0
74.06010	1.0
75.90175	0.9
84.04445	1.5
84.08080	1.2
85.02819	2.5
86.05965	1.3
86.09633	98.1
90.94726	1.7
91.05397	10.7
92.05736	2.4
97.02833	2.2
98.97511	1.9
105.03336	13.5
105.67200	1.2
106.04880	1.1
116.98566	4.3
119.04919	12.5
120.05219	4.0
120.08034	1.3
121.14598	1.1
122.51180	1.1
129.10204	1.2
134.99623	1.6
135.42267	1.0
136.07567	13.7
137.07933	10.7
147.04387	28.4
167.97154	1.5
184.09695	1.1
185.16487	21.7
190.95413	2.6
208.96428	2.0
213.15968	12.5
247.12852	5.4
250.97575	1.1
286.51160	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	3.4
55.05450	27.1
57.03378	5.0
57.07004	2.2
65.20162	2.1
67.05424	74.9
69.06981	28.0
70.42195	2.2
71.04903	6.1
79.05408	44.3
81.03328	4.0
81.06974	100.0
83.04906	6.3
83.08540	15.3
85.06469	5.1
91.05402	33.1
93.06965	52.9
95.04887	11.7
95.08531	39.7
97.06470	14.1
105.06953	30.6
107.04890	3.1
107.08534	37.5
109.06474	5.7
109.10118	17.3
111.08066	3.4
117.06947	6.3
119.08535	23.5
121.06442	4.7
121.10100	18.4
123.08067	4.7
123.11730	4.6
129.06960	3.7
131.08562	16.0
133.10060	24.7
135.11693	10.9
145.10095	4.7
147.11691	11.1
148.96750	2.7
149.09602	5.7
149.13249	24.7
149.75047	2.6
159.11641	11.1
161.13261	3.5
164.23088	2.4
177.12715	5.8
195.13765	29.4
213.14803	15.5
255.83707	2.7
257.19006	3.4
271.86966	3.3
275.20004	44.5
293.20972	11.6
336.41226	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	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	1.2
53.03880	2.0
55.01813	5.4
55.05450	36.0
57.03371	5.1
57.06993	1.4
59.04935	4.9
60.75029	1.0
62.02034	1.1
65.03858	1.1
67.05425	100.0
69.03364	1.4
69.06982	26.9
71.04912	2.9
79.05408	29.9
81.06971	41.5
83.04903	5.3
83.08530	23.6
85.06467	4.8
91.05405	21.9
93.06964	28.1
95.04881	5.4
95.08531	23.2
97.06458	6.0
97.10085	20.5
105.06969	20.7
107.04870	2.4
107.08537	37.3
109.06495	4.9
109.10101	88.9
111.08031	1.9
113.82153	1.3
114.36295	1.1
117.06966	7.7
119.08528	15.2
121.10090	7.5
123.11671	2.3
125.09580	17.4
129.06812	1.2
131.08543	7.7
133.10068	10.8
135.08017	2.3
135.11642	1.9
137.09570	5.4
145.10107	2.1
147.11699	4.7
149.09637	6.8
149.13281	1.9
151.03934	1.5
155.10632	9.9
159.11618	3.0
173.11694	81.4
189.11223	12.6
195.13786	5.1
213.14847	1.8
224.53799	1.5
229.19543	1.8
257.18976	2.6
273.20404	1.3
275.19995	27.7
293.21140	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	346.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08440	0.6
53.00274	0.7
57.06778	0.9
57.07016	15.7
57.67424	0.7
58.06528	3.8
64.19193	0.6
70.06135	1.4
70.06509	31.4
70.15190	0.6
71.08538	5.7
73.68790	0.6
77.58120	0.6
79.63536	0.6
85.10074	2.6
86.77953	0.8
88.07555	41.7
89.20045	0.6
91.43970	0.7
92.10258	1.2
102.09121	23.2
102.42966	0.7
104.10571	0.7
110.10573	0.7
124.32214	0.7
132.10170	1.5
146.11722	0.9
150.11237	1.0
159.13416	0.8
240.26801	1.0
284.29428	63.8
285.29556	0.7
328.32108	5.2
346.33102	100.0
347.33481	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	346.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04970	22.2
57.07010	17.0
58.06532	12.6
58.06765	1.4
60.04445	3.4
69.06987	2.0
71.08538	7.0
73.89225	1.6
74.05981	19.7
78.21634	1.6
81.06944	1.7
85.10114	2.1
86.05997	2.4
88.07546	99.4
118.08575	16.1
122.08100	9.0
144.21419	2.1
169.32777	1.8
191.55067	2.0
298.30936	60.4
311.14227	1.7
328.32239	2.0
346.33072	100.0
347.33157	2.3
359.09384	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1127
Annotation	5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone
Peak:m/z	Relative Intensity
53.03886	2.4
55.01810	1.6
55.05466	1.3
56.96500	1.7
57.03381	1.0
65.03864	1.6
66.52470	0.9
66.66769	1.0
67.05424	2.7
69.03343	2.2
69.07008	1.1
70.02836	1.0
70.06504	5.7
72.08078	2.0
79.05402	6.6
81.03333	7.1
81.06974	4.9
83.04918	1.1
84.04453	1.2
84.08070	1.7
85.02840	5.6
86.00552	1.5
86.05986	1.8
86.09619	2.8
87.04383	1.2
91.05409	28.2
92.05730	1.3
93.06974	2.4
94.04109	6.4
94.06515	1.2
95.04919	14.7
95.08510	2.3
97.02853	1.6
98.97544	1.8
99.05469	1.3
102.04613	2.5
103.05393	4.1
105.03319	11.0
105.06981	7.5
107.04901	6.1
107.08540	1.5
109.02852	2.1
109.06478	5.2
110.07154	1.4
114.05476	9.9
116.98586	2.1
117.06990	1.0
119.04896	19.6
120.08076	1.3
121.06470	34.7
121.17909	1.0
122.03594	11.3
123.04379	1.7
124.05186	2.6
125.05943	1.2
129.06912	1.3
130.04094	1.8
130.06514	2.4
133.10107	1.5
134.03598	6.9
135.04373	20.3
136.06165	3.9
137.05962	100.0
142.05052	1.2
143.03386	13.0
146.05992	2.0
147.04379	19.6
149.05968	24.6
150.06743	23.2
152.06178	2.5
153.05873	1.1
153.06966	13.2
157.10100	1.3
160.05998	1.1
161.05994	1.9
162.06723	7.7
163.03877	2.3
165.05473	2.3
165.06927	4.7
168.05656	2.1
169.06386	1.4
175.03926	6.2
177.05486	1.4
178.02565	11.7
179.06999	1.9
181.04926	9.8
181.06448	9.9
183.08006	1.3
193.04942	15.0
196.05136	4.1
197.06001	1.9
198.06639	1.3
204.06526	1.4
205.00270	1.1
205.06776	1.5
209.05988	1.3
210.14830	1.3
211.07535	8.8
213.05446	4.5
213.09109	1.6
219.14938	2.6
221.05803	1.1
225.05434	1.2
225.08984	1.2
227.07004	1.7
239.07037	2.0
241.08427	1.3
256.07114	1.3
279.06372	1.5
297.07547	5.7
299.05835	1.5
299.09045	25.9
311.09210	1.7
317.10132	7.2
327.01349	1.2
329.10062	10.1
329.20682	4.6
347.11224	8.0
347.21759	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	347.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89717	0.9
55.01808	16.8
55.05444	5.6
55.39583	0.8
56.04973	11.6
56.96504	1.9
57.03364	0.9
57.06995	1.0
58.99507	5.2
61.01078	1.8
67.05428	17.5
69.06987	10.8
70.02859	4.6
71.04907	2.5
72.04420	6.5
73.01038	1.9
73.02834	1.9
74.00572	7.1
76.02142	4.8
79.05421	11.7
80.04919	5.8
81.03326	1.2
81.06979	8.9
82.06490	2.4
83.08534	2.2
84.04411	11.3
85.01054	4.6
85.06438	1.4
86.00573	41.0
86.01089	1.3
86.98961	7.0
87.02579	2.4
88.02136	4.9
90.05479	10.1
91.05408	11.4
93.06972	23.0
95.08527	9.7
97.01051	34.8
97.06449	4.5
98.02339	1.9
98.97499	4.2
99.02598	5.3
99.04414	1.3
99.92173	1.0
100.02158	2.1
100.03874	1.0
100.11133	1.1
101.03517	1.0
104.01635	12.2
105.06970	6.1
106.06561	1.1
106.07284	1.1
107.04881	1.3
107.08526	8.0
109.10117	15.7
111.02602	1.0
111.08018	1.3
111.11636	1.0
112.02136	1.5
113.00577	1.1
116.01627	27.4
116.03400	1.9
116.05247	3.8
116.98602	1.6
117.06932	2.0
119.07162	1.1
119.08562	7.6
121.10054	1.7
124.11178	1.8
125.04144	2.0
126.05474	20.1
131.02733	1.4
131.08528	1.2
133.10080	2.1
134.09584	1.0
135.08037	5.2
137.09570	8.9
137.19006	0.9
138.12717	1.4
139.87920	1.1
143.08533	4.0
144.06549	1.8
147.08090	1.3
147.11691	1.2
151.05716	2.3
152.10657	2.1
154.12231	18.2
155.08525	1.3
157.10098	1.6
158.02672	20.4
161.09595	4.0
162.09824	1.6
166.12247	5.0
167.08865	1.6
169.06828	4.6
169.10115	1.0
170.11719	1.1
172.13254	8.8
176.03665	1.7
177.07268	4.3
178.12234	2.1
183.11656	1.2
184.11716	1.6
184.13184	8.3
185.03763	2.2
195.08348	6.7
197.09737	1.1
203.04829	1.5
208.13348	1.4
212.08934	1.7
212.11005	52.4
213.09404	1.6
219.01855	1.4
226.14322	1.9
230.12056	23.6
240.10643	7.3
242.11891	1.2
244.15390	14.0
312.12506	8.0
329.15549	1.6
330.13422	5.5
347.16278	100.0
359.17230	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1676
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
53.03894	1.0
55.01804	0.8
56.96489	4.3
70.06511	1.9
72.08068	1.0
72.93705	1.4
75.25274	0.9
77.03836	0.8
84.04414	1.0
84.08076	1.1
85.02818	1.9
86.09628	1.1
91.05420	1.3
95.04894	1.4
97.02829	1.1
98.97513	4.1
101.98806	0.9
105.03312	6.9
107.04891	6.8
116.98556	1.6
119.01836	1.6
119.04875	1.2
132.08072	1.4
134.99658	1.4
136.06160	19.9
137.02960	1.2
137.06052	1.1
138.05484	4.4
147.04344	1.7
150.43440	0.8
150.96802	1.0
166.05034	1.6
167.97150	1.6
209.98236	1.1
267.10623	0.9
275.64011	0.8
335.53827	0.9
347.16693	100.0
348.17188	1.9
355.78497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2427
Annotation	oscr#20
Peak:m/z	Relative Intensity
53.03897	4.8
55.01806	13.2
55.02049	2.0
55.05456	63.0
57.03382	37.2
57.07001	3.0
63.29095	2.1
63.63617	2.1
63.66753	2.3
65.03877	2.9
66.61279	2.1
67.05431	73.6
69.03345	11.8
69.06991	50.8
70.40669	2.5
71.04910	43.4
74.94897	2.2
77.03851	2.6
79.05410	72.2
81.03331	6.0
81.06976	100.0
83.04905	19.7
83.08548	30.4
85.06466	15.3
87.19892	2.1
91.05412	47.3
93.06976	89.2
95.04903	18.0
95.08537	61.5
96.23376	2.3
97.06487	24.0
97.10097	27.0
99.08014	4.7
100.11189	3.3
105.06982	48.2
107.04888	3.4
107.08537	66.9
109.06465	33.8
109.10117	27.6
111.08039	23.1
114.74806	2.4
115.07507	2.6
117.06964	13.9
119.08538	27.5
121.06466	3.2
121.10104	48.6
123.08007	12.7
123.11696	3.1
125.06020	2.6
125.09571	17.4
129.07001	4.3
131.08559	25.4
133.10095	18.3
135.11670	11.2
137.09570	2.9
139.11185	19.9
143.08510	9.7
145.10136	16.3
147.11661	14.2
149.09599	10.2
157.10117	4.2
159.11632	5.4
161.13235	9.6
162.09912	3.6
163.11166	10.7
164.33365	2.9
167.10571	2.8
171.11728	5.4
173.13261	3.9
178.04388	2.4
181.12172	3.4
183.13690	3.8
185.11720	2.8
185.13246	4.6
186.38745	2.3
187.14801	5.2
189.12669	3.8
203.12781	17.8
205.15862	2.7
215.52115	2.5
219.17444	11.1
221.15327	3.4
231.54709	2.4
257.18924	10.7
275.20038	81.5
276.20380	3.1
293.21127	42.2
308.24927	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	347.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92852	1.0
53.00238	1.3
53.03870	1.4
55.01799	7.2
55.05219	1.7
55.05448	24.5
57.03107	1.8
57.03373	49.4
57.06993	2.2
58.96284	1.2
67.05424	65.0
69.03336	2.0
69.06988	53.4
71.04903	45.1
73.01167	1.2
73.02815	3.4
73.06441	2.0
79.04964	2.6
79.05404	57.5
81.03325	5.5
81.06971	100.0
83.04890	11.1
83.08543	15.3
85.02816	3.3
85.06464	16.1
91.05399	52.9
93.06376	1.5
93.06966	57.7
95.04890	18.8
95.08530	63.1
97.06450	34.4
97.10094	6.6
99.04354	1.7
99.08022	55.7
100.11185	1.9
105.06969	54.1
107.04867	2.2
107.08536	30.4
109.06464	88.6
109.10089	10.4
111.04385	1.7
111.08001	10.1
113.05929	7.3
115.07507	18.1
117.06989	13.8
119.08536	37.4
121.06463	3.0
121.10091	17.9
123.08025	43.6
123.11626	8.9
125.09594	3.4
127.07515	14.9
129.06924	10.3
131.08527	23.4
133.10089	32.8
134.10390	1.7
135.08000	5.4
135.11644	7.4
137.09592	11.7
143.08521	8.2
145.08580	2.1
145.10085	15.7
147.11656	20.1
149.09570	7.6
149.13162	2.5
151.11183	3.0
157.10129	2.6
159.11661	14.0
161.13217	13.4
163.11150	9.5
165.12723	1.6
169.10191	1.7
171.11638	16.2
173.13187	3.2
175.14828	2.0
177.12628	2.3
183.11461	1.4
185.13190	5.5
187.14844	2.4
189.12764	9.5
203.14291	6.3
205.15863	1.6
207.13777	8.0
210.14784	1.8
219.17397	14.7
221.15298	3.1
225.14836	1.9
239.17851	1.9
247.20448	1.9
257.18890	9.2
275.17206	2.3
275.19974	40.8
276.20407	3.1
293.21048	60.3
311.22037	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	348.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	2.1
54.81678	1.1
55.01822	1.7
55.05447	2.0
56.04966	2.8
56.96490	2.1
57.03363	1.3
60.04457	10.8
61.02840	5.0
65.03584	1.2
65.03867	22.2
68.04948	1.7
69.03349	10.5
69.06979	2.4
70.06500	6.8
71.04902	1.4
72.08073	1.7
73.02827	2.0
74.05975	6.3
79.05410	1.7
81.03333	5.5
83.04886	1.4
83.06010	4.3
83.08501	1.2
84.04429	20.0
84.08076	2.0
84.51638	1.1
84.76445	1.2
85.01044	7.9
85.02821	28.0
85.06430	1.5
86.09627	34.5
87.05482	1.8
87.06316	1.6
88.03914	4.3
90.05473	1.4
91.05396	6.3
93.03331	8.3
95.04887	6.9
97.02829	18.9
98.05971	2.1
98.97511	1.8
99.04425	1.4
100.11161	2.8
102.03698	2.2
102.05449	5.7
105.03342	13.4
105.06488	1.9
109.02817	2.4
110.03606	4.5
110.07124	1.9
111.04391	69.2
114.05482	11.9
116.07027	5.1
116.98534	2.1
119.04914	4.3
120.06493	1.4
121.02840	1.7
123.04459	1.2
125.05949	28.5
126.05468	8.9
127.03872	4.5
129.06534	5.3
129.10194	1.5
131.08539	9.0
132.10136	5.3
136.06157	100.0
137.04552	1.7
144.06509	2.4
145.10027	2.1
146.99646	1.3
147.04378	6.6
148.04713	2.0
149.09610	2.6
151.03885	20.5
154.04935	4.7
158.02617	1.3
169.04927	50.6
189.08665	5.6
191.10573	1.5
201.00581	1.4
201.12299	11.0
217.08116	6.8
219.01558	1.4
219.07964	2.2
219.13396	1.4
224.04987	1.3
229.11653	1.8
235.04224	1.1
313.27032	1.4
348.06757	2.6
349.09036	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	348.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15351	0.6
54.33155	0.6
70.06500	1.2
72.08070	1.7
74.05981	1.7
84.04440	0.8
86.09626	5.3
96.75242	0.7
97.02827	3.5
99.05530	1.5
133.01346	0.7
133.02415	0.8
136.06158	37.5
145.85826	0.7
146.05969	1.0
161.07010	1.4
167.80536	0.8
176.08156	69.5
177.06599	1.2
186.06573	20.2
188.08151	100.0
189.06546	5.1
189.08298	0.9
203.09244	29.9
204.38669	0.7
212.08099	1.0
214.06075	66.2
215.04584	6.1
216.07658	5.9
217.06134	1.2
231.08749	5.0
232.07162	5.0
257.10342	3.6
259.08145	6.6
277.09222	6.5
303.10818	70.4
304.11096	0.8
348.12964	84.5
349.13184	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00230	2.3
55.01796	2.8
55.05452	7.0
57.07016	5.5
57.23809	3.0
57.33117	2.9
58.06516	3.5
58.33122	2.5
60.04445	5.6
67.05430	24.1
69.03338	7.6
69.06978	11.4
70.06511	51.2
71.04910	24.5
72.08054	13.7
74.05988	3.5
76.02148	4.0
79.05410	32.8
81.03342	3.3
81.06962	6.3
83.04905	7.5
83.80672	2.6
84.04423	22.3
84.08060	6.4
85.02815	7.3
85.06463	45.4
86.09635	7.6
91.05398	29.0
93.06979	21.7
95.04939	9.9
97.02811	5.7
105.06982	29.5
107.04897	15.7
107.08524	31.2
109.06448	4.2
110.07111	17.8
111.04372	5.3
117.06954	12.8
119.08543	24.6
121.02830	3.3
121.06451	23.8
121.10093	23.1
123.04355	4.4
123.07967	7.1
129.06984	5.4
130.06508	6.6
130.07690	2.9
131.08533	100.0
132.08044	6.6
135.11652	3.7
136.06166	54.1
137.09573	13.6
145.10095	36.6
146.06035	5.4
147.08022	7.3
147.11636	3.2
149.09586	48.4
153.05463	5.5
158.06007	4.8
159.09120	7.8
163.11166	13.3
165.09111	13.0
167.10660	24.6
172.09929	3.3
173.09477	4.7
175.03818	3.0
188.07051	4.7
191.10652	29.5
204.38632	3.1
209.11711	39.1
227.12770	44.2
270.90002	3.9
331.11893	7.1
348.14996	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	348.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	2.2
55.05450	5.2
57.03365	1.2
60.04462	1.3
67.05424	6.6
69.03351	6.1
69.06988	3.0
71.04902	7.1
79.05403	11.8
81.03331	0.6
81.06973	31.9
83.04904	3.4
84.04395	0.7
85.06438	1.2
85.96207	0.5
91.05396	6.1
93.06974	33.7
95.04897	3.3
95.08520	2.7
97.06456	3.9
99.04378	8.9
101.05931	0.9
105.06976	36.8
107.04928	1.3
107.08537	29.9
109.06440	4.4
117.06962	4.5
119.08529	13.0
121.06470	13.1
121.10096	47.8
123.08012	0.9
127.07492	2.6
130.06485	0.7
130.07753	1.2
131.08540	1.1
135.08015	5.7
135.11647	15.7
139.07530	2.4
145.10095	33.7
147.07983	0.7
147.11670	2.6
149.09584	3.2
151.07471	0.6
163.11143	100.0
164.11487	1.5
167.08539	0.9
173.09616	3.8
181.12190	13.3
185.09564	0.6
185.11729	0.6
191.10632	27.6
209.11693	51.0
214.13162	0.8
221.12846	0.6
227.08493	0.5
227.12724	11.0
228.14688	2.3
240.14626	0.8
255.13768	1.2
256.14059	4.0
302.14630	1.1
313.12564	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00386	4.0
53.19819	3.8
55.01806	8.6
55.05447	39.3
56.96484	4.4
57.03356	6.9
58.02881	6.1
67.05426	40.0
68.84991	4.5
69.03331	6.6
69.06979	26.7
71.04906	11.4
72.30912	4.1
79.05396	43.4
81.06968	66.1
83.04896	20.1
83.08527	27.8
84.04395	5.6
85.06480	5.9
91.05398	28.6
93.06970	100.0
95.04875	19.0
95.08524	43.2
97.02837	6.8
97.06452	43.1
97.61287	5.0
99.04382	23.5
100.07523	5.9
100.11176	30.8
105.06963	61.5
107.04903	7.2
107.08537	57.5
109.06481	43.6
109.10107	11.1
111.08006	20.6
113.05923	5.3
114.09107	25.6
117.44342	4.5
119.08504	37.7
120.07984	5.1
121.06461	88.8
121.10104	10.5
123.08028	18.0
123.11638	5.3
125.05942	5.5
127.07462	7.7
129.06944	8.1
133.10094	28.0
135.04369	8.8
135.08058	29.8
136.06155	20.8
139.07516	21.3
143.07011	5.4
143.08554	7.8
145.10115	21.2
147.08049	4.6
147.11653	62.6
149.09525	6.4
149.58232	4.3
153.09029	5.3
157.10089	20.7
161.13242	9.5
165.12735	10.4
171.11652	18.7
173.09464	6.5
175.11156	39.6
182.15382	10.3
189.12567	32.1
191.56921	5.8
193.12216	26.2
199.11198	31.9
207.13774	21.2
214.67805	5.0
217.12202	74.3
235.13228	79.4
253.14287	71.2
340.94739	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	348.2744
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
51.31195	0.5
53.03884	0.6
54.81179	0.6
55.05456	5.9
56.04966	4.6
57.03381	0.6
60.04458	100.0
67.05431	13.7
69.06987	3.2
70.06512	3.0
71.04904	0.9
72.04446	1.1
74.05981	1.4
79.05413	12.0
80.04947	1.2
81.06983	16.1
82.06498	4.1
83.04888	1.1
84.04421	3.0
85.06461	1.0
91.05405	6.3
93.06980	11.7
94.06487	2.8
95.04891	1.1
95.06007	0.7
95.08542	8.7
96.08046	0.9
98.09621	1.1
100.11195	2.9
104.08894	0.7
105.06971	4.2
107.04916	0.8
107.08540	6.3
109.10114	2.7
110.06007	1.3
112.07568	1.1
117.06985	1.1
119.08541	3.7
120.08031	0.9
121.10107	3.5
123.11645	0.8
129.07019	0.9
131.08516	2.9
133.10120	4.4
135.11635	2.5
143.08603	0.9
145.10117	0.9
147.11690	1.5
159.11746	1.0
166.15889	0.8
182.15431	1.2
210.14862	0.8
238.80511	0.7
276.23300	2.8
294.24219	4.2
312.25333	3.3
330.26358	13.5
348.27390	39.2
349.27713	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.274
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
51.73676	0.6
53.03873	0.6
55.05445	6.3
56.04979	3.3
57.03376	1.2
57.07010	0.8
58.02857	0.5
59.51941	0.6
60.04460	100.0
61.04812	0.6
64.36636	0.6
67.05428	13.8
68.04954	3.4
69.06982	2.9
70.06516	0.7
71.04920	1.1
72.04432	4.8
74.05993	1.3
74.87177	0.6
79.05413	9.8
80.04933	7.0
81.06981	14.1
82.06509	2.9
83.04903	1.0
83.08549	2.7
90.05486	0.9
91.05406	11.2
93.06973	12.9
94.06510	4.4
95.04915	1.0
95.06025	17.2
95.08524	7.6
96.08057	0.7
98.06004	0.8
100.11170	1.0
105.06982	5.1
107.08532	5.8
109.06499	1.1
109.10109	3.4
110.05976	0.7
117.06989	3.3
118.06516	0.7
119.08531	5.1
120.08049	0.9
121.10096	4.1
123.11689	0.9
128.07080	0.9
129.06961	1.5
131.08556	3.1
131.59538	0.6
133.10106	1.4
135.11699	1.4
136.06114	0.8
145.10086	0.8
147.11694	1.2
162.10207	0.9
174.10262	5.9
186.12865	1.1
210.15157	0.8
216.40674	0.6
219.16902	0.7
261.17029	0.7
268.17963	2.9
276.23129	2.8
286.19019	4.5
294.24219	3.8
304.20203	7.5
312.25323	7.4
330.26355	36.6
348.19125	3.8
348.27365	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	348.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00233	1.3
53.03894	1.2
55.01815	6.9
55.05455	42.1
57.03367	8.2
57.07015	2.9
59.04912	1.6
65.03883	1.8
67.05428	100.0
69.06986	24.6
71.04896	3.3
71.08548	13.9
78.00145	1.3
79.05407	36.3
81.03347	2.4
81.06976	81.8
83.04903	8.2
83.08547	36.2
85.06468	2.5
91.05402	22.2
93.06969	56.1
95.04900	7.7
95.08543	29.0
97.06440	10.8
97.10106	25.5
99.08033	13.0
105.06972	14.9
107.08543	30.9
109.06448	2.6
109.10111	46.2
111.08018	8.8
117.06973	5.7
119.08565	11.4
121.10090	15.1
123.11637	6.5
125.09589	15.7
131.08545	9.2
133.10106	17.2
135.11618	12.9
137.09552	2.1
139.11209	1.7
143.08452	1.7
145.14079	1.6
147.11667	3.6
149.13229	26.1
151.11131	10.5
155.10632	7.7
157.10155	1.6
159.11606	14.0
161.13217	2.9
163.11128	2.0
173.11717	41.6
177.12752	5.5
179.14246	3.4
189.11166	11.4
195.13795	36.2
213.14816	23.8
241.19498	2.4
267.17209	1.7
277.21600	34.0
295.22604	16.4
366.90387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	29.4
57.03365	4.9
57.06738	5.4
57.07007	100.0
67.05132	4.3
67.05434	69.3
67.53064	3.2
69.06982	28.0
71.08543	90.1
79.05399	7.6
81.06966	72.3
83.08527	21.4
85.10104	32.5
88.11189	43.3
93.06964	7.6
95.08534	74.7
97.02277	3.8
97.10081	7.7
103.09187	3.4
104.86348	3.8
107.08453	5.5
109.10106	32.4
121.10103	5.5
123.07974	3.8
132.57153	3.6
159.44789	4.0
170.23923	3.7
226.55290	3.7
239.23622	26.8
297.72986	4.0
304.29904	4.5
313.27316	69.2
348.32504	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	349.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81396	1.2
56.96490	10.3
57.07005	3.4
58.16764	1.4
59.50591	1.3
64.33250	1.5
65.03832	2.0
67.05411	2.1
68.24733	1.4
70.06499	8.8
71.06818	3.4
79.06561	1.6
81.06968	2.5
88.07531	7.9
89.07873	2.3
93.06932	1.9
94.04684	1.6
102.09114	2.2
103.01749	2.5
105.03345	3.5
111.99896	2.4
121.00427	40.3
130.00909	2.9
143.01758	25.8
149.02350	14.5
149.03343	2.4
152.02280	7.0
159.01999	3.7
163.00380	8.5
167.99677	17.0
168.49788	2.5
172.00970	32.0
172.51129	8.5
172.95210	3.0
177.00162	100.0
177.50317	12.8
181.01465	3.0
184.07236	1.9
186.00674	10.4
188.51028	3.5
190.00911	13.1
190.51120	2.9
199.01468	49.1
199.51611	9.8
202.68805	1.9
208.02074	1.9
217.02582	11.9
226.03082	2.2
239.03758	2.8
251.00937	2.7
264.01691	3.8
265.19070	2.1
273.02267	8.4
284.29260	1.8
285.29712	2.8
286.30090	12.4
308.56546	2.2
313.04599	8.2
326.05386	20.8
326.55585	6.9
337.20142	2.7
337.56116	2.4
348.33664	32.7
349.23477	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	349.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26349	4.5
56.04972	7.0
60.04451	7.2
63.32582	4.4
69.06974	6.2
70.06514	38.3
72.08063	7.3
74.05976	12.0
74.21084	5.0
82.06493	7.1
84.04409	14.0
84.08044	8.7
86.09637	86.2
97.02859	5.7
101.07056	7.3
102.97789	6.3
110.07121	9.9
133.07611	7.0
136.06149	72.2
137.06487	29.9
153.36218	6.8
164.31819	5.9
172.03979	6.4
173.12894	9.6
176.08168	96.1
177.08492	35.0
186.06517	10.1
187.06953	8.7
187.14351	10.6
188.08136	100.0
189.08482	66.3
203.09270	38.6
204.09566	14.1
214.06055	66.2
215.06401	35.5
220.03619	6.3
277.09177	7.8
303.10913	66.0
304.11121	74.2
317.38388	7.3
348.12827	57.0
349.08017	44.2
349.13309	71.7
367.08450	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01054	10.4
57.21479	10.2
60.05568	26.9
65.20107	12.5
70.06516	100.0
71.43628	12.2
72.08070	13.9
84.08059	62.5
85.02803	13.0
86.09623	19.1
116.07095	19.1
116.27985	12.6
119.01871	15.5
130.08578	80.7
131.01872	17.0
133.16747	13.1
136.06117	22.2
138.05490	18.7
142.92747	12.8
175.11871	79.7
184.00305	13.8
225.23529	13.7
349.08005	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	349.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53969	7.6
53.90652	7.9
60.05566	18.5
65.09906	8.2
67.95316	9.2
70.06516	100.0
75.86651	7.6
84.08088	11.0
85.25668	8.5
87.24851	8.3
94.06480	11.2
116.07047	37.2
118.83872	9.5
119.01829	11.8
175.11906	82.4
275.66534	9.7
285.74414	9.1
349.08081	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32893	1.1
52.43011	1.0
52.74714	1.0
53.03711	0.8
53.03891	14.1
55.01808	1.7
56.04966	1.1
56.29674	1.0
56.96515	1.0
57.03368	4.9
61.02859	1.8
69.03351	34.5
70.06514	10.4
71.04906	12.1
81.03339	52.3
83.06024	1.9
84.04428	23.0
85.02827	100.0
87.76464	0.9
90.81389	1.1
91.05336	1.4
94.06519	1.7
97.02808	5.2
98.05999	1.1
99.03728	1.5
99.04387	63.2
103.03883	86.0
109.02834	35.5
110.07102	2.5
122.05991	2.6
127.03880	99.8
130.04985	1.7
130.06493	22.1
132.04408	14.6
133.41142	1.5
140.07091	1.9
145.04916	10.0
146.06003	7.8
147.06383	2.0
157.07600	10.0
158.05983	34.3
158.07269	1.2
159.06349	5.0
163.05974	1.4
168.23801	1.3
173.40181	1.2
175.08633	30.4
187.06023	5.4
190.04968	4.9
221.09114	13.6
221.83234	1.1
253.07268	1.2
271.84729	1.2
305.07327	1.3
348.89151	1.3
349.11850	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53933	2.3
58.22543	2.1
63.93860	2.1
64.87772	2.1
69.06966	2.3
77.89947	2.2
84.38743	2.1
85.31385	2.3
92.10249	4.2
108.69716	1.9
134.25528	2.2
227.59978	3.2
349.23422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49329	1.4
55.95456	1.3
55.95733	1.4
62.64161	1.5
65.84609	1.4
66.93855	1.6
67.05414	1.8
72.08106	2.1
81.06935	2.9
86.09628	2.5
89.89656	1.7
111.25427	1.6
114.68405	1.8
170.17615	1.6
182.72171	1.9
187.75883	1.8
289.16409	2.0
349.23407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	3.8
53.21296	3.7
55.05445	28.8
57.03375	63.8
59.08948	3.9
67.05431	69.1
69.06990	21.3
79.05416	72.9
80.47435	4.3
81.06983	74.4
83.08546	11.1
91.05400	96.2
92.64843	5.5
93.06982	71.7
95.04898	8.9
95.08548	51.0
104.81275	4.4
105.02572	4.0
105.06984	100.0
107.08549	31.9
109.06463	8.3
109.10071	5.9
115.05403	6.0
117.06967	77.6
119.08535	62.1
120.56575	5.3
121.10074	9.2
128.06242	5.6
129.06950	26.7
131.08580	55.4
133.10094	33.0
133.40051	4.4
143.08533	23.0
145.10120	91.3
147.11699	32.3
149.09567	4.7
157.10092	36.9
159.11678	92.8
161.13289	11.3
169.10048	4.5
171.11765	9.6
173.13214	23.0
175.14742	4.8
183.11723	6.2
185.13208	22.5
197.13152	5.2
219.17435	8.3
239.17899	18.7
257.18976	30.4
273.86859	5.1
275.19891	26.1
309.22488	4.4
321.01721	4.8
349.19724	20.6
349.23636	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68563	2.5
52.00504	2.3
55.01815	3.1
55.05451	28.9
55.69464	2.4
57.03382	29.8
57.06988	3.4
59.29464	2.9
61.56459	2.9
66.22525	2.6
66.46302	2.4
67.05123	3.2
67.05431	53.6
69.06980	13.6
79.05408	46.5
80.81976	2.9
81.06967	39.9
83.08539	6.5
91.05406	78.1
92.98837	3.4
93.06969	53.1
95.04929	5.0
95.08524	32.3
105.06978	100.0
107.08536	25.8
109.06441	5.1
109.10118	6.8
117.06966	43.9
119.08541	54.1
121.10078	3.3
129.06947	16.6
129.76378	3.2
130.07744	3.4
131.08534	51.0
133.10101	38.1
141.06920	4.4
143.08527	16.6
145.10091	62.5
147.11659	26.3
149.09593	4.3
155.08514	4.2
157.10100	15.1
159.11633	55.5
161.09616	3.3
161.13278	10.1
169.10056	6.3
171.11688	7.6
173.13220	15.5
183.11633	14.6
185.13266	7.6
239.17834	16.2
257.18887	29.2
275.20038	5.1
306.81241	3.6
349.19675	20.2
349.23615	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2732
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01801	1.2
55.05449	9.9
57.07013	1.8
60.06251	1.0
63.30038	0.8
66.75389	0.8
67.05428	7.0
69.06985	16.3
70.17859	0.9
75.00971	0.8
79.05406	5.9
81.06975	11.0
83.04945	1.0
83.08538	5.4
88.07547	1.2
89.05942	1.3
91.05407	1.8
93.06980	8.3
95.08528	9.9
97.06459	1.5
100.78645	0.9
105.06990	1.6
107.08538	6.7
109.06476	17.4
109.10095	4.1
111.08017	2.1
119.08518	5.0
121.10076	3.6
123.08020	100.0
123.11634	1.4
128.22737	1.1
133.10123	4.3
135.08008	9.5
135.11662	2.0
137.09584	5.6
144.75726	1.1
149.09601	1.3
149.13213	1.0
159.11624	1.4
167.47166	0.9
179.14272	8.1
275.19943	1.9
293.21072	21.8
331.26251	1.6
349.27310	82.8
350.27557	2.0
370.54510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03266	1.1
55.00667	1.4
55.05447	12.1
57.06998	1.8
61.66296	1.2
67.05417	8.0
69.06718	1.2
69.06991	19.1
70.15154	1.2
75.40372	1.2
77.12491	1.2
79.05407	7.3
81.06971	12.4
83.08531	6.7
83.94433	1.3
86.09628	6.4
91.05376	1.7
92.10923	5.1
93.06970	6.6
95.08507	10.1
97.10098	1.9
102.40298	1.5
104.74379	1.4
105.06991	2.8
107.08528	8.4
109.06472	18.4
109.10090	3.4
111.08057	1.7
119.08542	2.9
121.10120	2.8
123.07103	3.3
123.08012	100.0
135.07994	5.8
135.11710	1.9
137.09561	3.2
179.14299	13.9
215.05838	6.0
233.06908	6.4
293.21005	17.9
347.18152	1.6
349.27267	69.6
350.27292	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	350.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79527	0.6
53.03890	1.0
56.04964	1.3
56.96491	1.2
57.03383	0.7
61.09563	0.5
69.03349	3.2
70.03674	0.9
70.06496	1.6
71.04905	0.9
77.03871	0.7
81.03333	5.0
82.02847	0.8
82.03680	1.1
83.15869	0.6
84.04431	46.2
85.02418	0.7
85.02837	12.6
86.03168	2.7
91.05373	0.8
93.06963	0.7
94.06511	5.3
97.02825	1.2
99.04391	6.1
100.04723	1.0
102.05438	1.0
103.03900	8.4
104.04198	1.5
104.04862	0.6
109.02816	2.7
110.07091	0.7
120.08041	0.9
127.03893	9.4
128.04196	2.7
130.04953	3.6
130.06502	60.1
132.04425	40.7
132.05434	0.7
145.05013	0.9
148.07565	0.8
157.06300	0.9
157.07596	28.5
158.05989	100.0
159.09119	3.5
175.08641	96.4
176.07071	0.8
176.09019	0.7
186.05502	1.6
191.24207	0.7
203.08127	3.8
204.06480	3.9
221.09193	45.4
222.09515	0.8
223.08676	0.7
241.09592	3.1
246.04387	0.9
287.10358	1.2
332.12308	1.0
333.10873	1.0
350.13254	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	350.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.7
53.09312	0.6
55.01814	1.1
56.96497	3.3
57.03372	3.4
60.04451	1.3
61.02852	4.2
65.03849	7.2
67.05412	0.8
68.99706	1.7
69.03345	5.7
70.06515	4.3
70.74716	0.8
73.02827	1.2
74.64496	0.8
81.03336	4.1
83.04883	6.8
84.04406	7.1
84.08062	5.0
85.02828	19.1
86.09641	3.6
91.05402	1.9
93.03334	1.1
93.06980	5.5
94.06444	0.9
95.04869	1.3
97.02815	5.3
98.06073	0.9
98.97526	2.1
104.60928	0.9
105.03343	3.7
109.02835	1.2
110.07066	1.9
111.04391	58.8
116.98592	2.0
119.01897	1.0
119.04884	3.3
120.08044	1.8
121.02991	0.8
121.03939	3.5
121.66511	0.8
127.03883	1.6
130.06502	6.0
131.03723	0.9
132.04414	1.7
134.99652	1.5
135.07973	4.1
139.03880	100.0
145.04979	1.4
147.04399	1.9
153.06584	1.3
153.09077	4.8
156.04178	3.9
158.05966	7.3
171.06487	61.9
175.08612	5.5
203.08130	1.0
204.06662	1.1
221.09210	3.6
259.29056	1.1
339.11026	1.0
350.09622	3.4
372.81570	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	11.1
57.03363	3.2
66.65376	1.8
67.05433	15.1
69.03330	9.5
69.06999	22.9
76.47505	2.0
79.05412	6.3
81.03326	3.4
81.06520	2.1
81.06978	55.7
82.07294	1.7
83.04887	3.0
83.08548	7.3
85.02818	4.3
85.06439	2.3
86.09637	2.5
91.05392	8.7
93.06982	16.7
95.08535	32.8
97.06441	3.2
99.52032	1.8
105.06979	33.1
107.08542	29.1
109.02829	2.3
109.06481	12.9
109.10109	20.2
119.08546	20.6
121.10094	28.4
123.08016	6.3
123.11661	95.2
124.07500	2.9
127.03844	3.1
127.07549	3.9
137.13246	19.2
147.11671	100.0
165.12724	86.3
175.11191	2.3
183.13733	18.9
189.26294	1.7
193.12204	37.1
211.13266	17.9
229.14323	54.7
255.90790	1.8
297.13193	4.2
315.14093	2.2
333.15317	3.7
372.66364	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04974	3.1
56.96495	0.6
70.06516	100.0
72.08092	0.6
81.04465	0.7
82.05249	2.8
83.06023	10.2
84.04442	1.3
84.08068	2.8
86.05973	0.6
93.04462	6.5
98.06020	1.0
101.57587	0.5
104.05288	1.2
110.07121	91.2
116.07050	20.9
120.08065	8.1
122.07140	0.8
126.05486	0.7
138.06595	0.7
149.07149	0.7
162.10252	2.6
166.06036	0.9
166.08615	1.0
190.09659	0.6
207.12332	1.1
210.48973	0.7
213.12321	38.6
217.10835	2.5
222.04576	0.8
235.11867	18.5
240.05484	0.8
286.16504	1.2
301.25577	0.6
314.16064	5.1
332.17175	8.5
347.97980	0.6
350.18161	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	350.2687
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
50.69366	2.0
51.36015	1.9
54.81628	2.2
55.05437	16.9
67.05421	38.7
69.06976	4.3
70.06516	2.7
70.45557	2.2
72.04428	79.1
76.91987	2.5
79.05406	40.0
81.06968	31.6
83.08529	11.3
86.09636	3.7
90.04964	4.6
90.05481	100.0
91.05402	19.0
93.06974	40.8
95.04900	3.2
95.08523	24.7
97.35178	2.5
105.07001	11.0
107.08542	35.3
109.10110	13.5
114.09127	5.5
117.06937	4.6
119.08529	5.7
121.10065	12.9
123.11655	2.7
125.09581	15.2
126.09868	2.8
131.08525	6.2
133.10162	2.4
135.08015	4.2
135.11642	11.4
145.09932	2.7
149.13278	3.3
151.09657	3.3
153.08981	2.7
155.32056	2.5
161.01154	2.6
169.44139	2.5
170.15306	17.8
179.10603	38.7
187.14828	3.0
191.36142	2.8
198.14859	58.2
243.21048	2.8
261.21988	11.6
291.51031	2.6
319.96616	2.5
337.20538	2.7
350.23291	4.3
350.26883	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	350.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16090	1.1
54.15588	1.0
55.05452	2.8
57.07008	31.9
67.05431	2.0
69.06992	1.9
70.13268	1.2
71.08553	1.4
72.04433	13.4
74.09632	7.6
78.52092	1.3
79.05416	1.7
81.06967	2.8
85.06467	7.7
86.09640	1.2
91.05428	2.1
92.10838	1.6
93.06971	5.6
95.04898	35.7
95.08531	5.5
97.06433	1.7
105.07267	2.8
107.08530	2.4
109.06448	5.3
111.08042	1.6
116.02792	1.3
116.98610	1.9
122.90243	1.2
133.10338	2.9
137.05952	22.2
162.78314	1.2
179.10719	2.4
185.13126	1.3
207.20898	1.3
221.15323	100.0
222.15765	2.2
257.50510	1.5
266.21085	83.6
280.07220	1.3
309.22977	1.5
350.26978	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	350.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63348	1.3
57.07005	8.6
58.06520	2.9
60.87807	1.4
70.06516	38.3
71.08537	3.1
72.08067	3.8
76.56239	1.8
80.95640	1.5
81.06980	2.6
84.08060	7.4
86.09628	10.8
88.07535	1.9
89.05953	4.0
97.06481	2.4
99.25911	1.8
105.06973	1.8
107.08567	2.1
123.11612	1.6
123.19900	1.6
124.07544	3.6
132.10168	16.0
146.11684	13.7
147.11635	3.4
156.17499	2.8
170.37802	1.7
190.14366	2.2
200.20155	1.8
244.22672	64.8
288.25281	28.7
350.28934	100.0
351.29053	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	1.9
53.37083	0.9
55.05445	11.7
57.03366	0.9
57.07010	5.9
60.08098	100.0
67.05421	11.2
69.03341	1.2
69.07003	12.7
71.08552	19.8
79.05403	5.2
81.06969	16.0
83.04901	1.6
83.08528	2.3
83.68395	1.0
85.06496	1.0
86.05985	1.6
86.61899	1.1
89.05954	15.2
91.05402	4.3
93.06976	16.4
95.04900	2.2
95.08540	12.9
96.40797	1.1
97.06470	2.0
97.10098	1.4
99.08029	4.7
105.06969	3.9
107.08520	8.3
109.06461	8.4
109.10098	8.6
115.58386	1.0
119.08562	4.9
121.10096	1.6
128.10643	1.4
133.10094	1.9
135.11682	1.5
135.79001	1.1
138.12746	1.2
151.09615	11.4
159.53900	1.0
161.13176	1.1
165.12733	9.5
170.15356	1.4
175.14880	1.3
184.13324	1.6
231.84717	1.2
252.23160	6.8
291.23074	16.7
350.30490	52.4
351.22955	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.305
Annotation	8,11,14-Eicosatrienoylethanolamide
Peak:m/z	Relative Intensity
55.05447	5.1
57.07004	7.0
65.49070	2.8
67.05423	5.0
69.06989	7.5
70.83929	3.0
71.08527	4.5
72.04440	66.1
72.22118	2.8
79.05431	4.0
81.06976	18.7
83.86549	3.0
88.07525	3.7
89.05961	43.9
93.06966	13.8
95.08537	19.8
106.66660	3.4
107.08543	22.1
119.08547	3.6
121.10097	7.8
121.60424	2.9
123.08051	4.3
128.10674	3.8
133.10207	4.0
146.50400	3.2
151.09634	28.4
153.42488	3.1
179.14282	6.5
305.24759	14.6
350.30481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13125	1.0
54.32605	1.2
57.07011	100.0
69.06988	1.6
71.08549	66.1
79.41965	1.4
84.85999	1.2
85.10107	33.3
89.05954	88.7
99.11616	2.1
107.06981	2.9
113.13211	2.0
133.08549	9.6
151.09636	68.6
160.45670	1.8
172.03966	1.5
202.94948	1.7
274.20773	1.5
333.29657	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	350.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39864	1.3
57.06734	3.0
57.07011	92.0
57.34542	1.6
68.80074	1.8
71.08546	59.4
85.10096	31.6
89.05951	100.0
95.18410	1.5
101.60698	1.5
107.07014	3.4
119.72359	1.7
133.08563	9.0
151.09634	66.9
333.29865	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	350.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	5.6
55.05216	4.5
55.05452	59.2
57.07003	17.1
66.50825	2.8
67.05426	22.1
69.06641	5.4
69.06989	74.1
71.08546	75.3
81.06967	37.1
83.08527	23.2
88.11201	88.9
89.05963	46.2
91.05422	7.0
93.06994	6.8
95.08556	27.5
97.06432	4.1
97.10118	6.5
100.07528	4.5
109.10146	5.0
112.24930	3.6
114.09153	5.6
119.08511	3.4
123.11682	4.7
133.08511	3.8
149.37119	3.3
151.09630	34.7
156.13818	5.2
170.15359	3.9
170.63763	3.0
184.16959	5.3
198.18608	5.4
270.97659	3.0
342.50134	3.7
350.34128	100.0
351.34406	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	351.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69072	1.7
55.05437	3.5
64.02981	1.9
69.03347	3.2
69.06986	3.1
83.04858	1.9
88.03902	2.3
91.05424	2.7
98.97496	4.5
109.02785	2.3
123.11713	2.4
126.99986	4.5
154.11778	2.3
203.10417	4.4
247.09357	10.6
265.10202	7.2
307.11395	10.9
333.20456	2.9
351.10431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30336	0.2
54.72739	0.2
55.02475	0.2
56.04729	0.3
56.04966	2.4
56.05184	0.2
56.87155	0.2
57.03363	0.4
58.06524	0.4
60.05577	3.7
69.00816	1.4
70.06145	0.4
70.06510	7.2
71.88242	0.2
76.96382	0.3
79.63309	0.3
80.47716	0.3
83.06035	0.6
85.02805	0.4
85.07584	0.6
86.02948	0.6
86.03474	17.5
86.05978	1.6
86.09638	1.3
89.03818	0.5
97.07578	1.7
100.11176	0.7
104.20794	0.3
115.08609	0.5
116.58334	0.3
117.03348	0.5
120.08078	0.4
125.67646	0.3
127.04989	0.4
130.06490	0.5
131.04785	0.3
131.07303	0.6
139.28755	0.3
141.06560	2.2
145.02820	1.9
146.99677	0.4
151.03951	0.4
158.05977	1.4
162.05409	0.7
164.07022	6.9
172.09760	0.3
177.05426	0.7
178.05858	0.4
178.08592	0.4
190.08582	3.2
193.09714	4.2
199.18402	0.3
206.51727	0.3
216.11259	1.1
217.09695	6.2
219.11229	0.4
231.11168	2.3
232.10797	0.4
245.14810	0.5
248.13892	100.0
249.14091	0.7
260.10297	0.4
261.02774	0.7
266.14954	2.6
274.11737	2.2
282.14664	0.3
285.58789	0.3
329.16925	0.3
333.16547	1.6
342.19946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2138
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
54.81618	1.1
69.12187	0.8
86.10562	1.0
87.48489	0.9
91.05397	1.1
93.06964	1.4
97.42980	0.9
140.37959	0.9
158.32245	1.0
351.21329	100.0
352.21707	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2137
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
52.99979	0.5
53.79980	0.4
57.33181	0.5
57.46545	0.4
67.05424	0.7
85.29562	0.7
107.08475	0.6
111.04140	3.8
114.57346	0.5
127.11213	0.5
245.15082	4.9
259.47946	0.7
271.96030	0.6
333.07233	0.6
333.20343	6.6
351.21356	100.0
352.21609	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2138
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
50.28297	0.7
50.48178	0.7
54.96946	0.8
63.76576	0.9
66.75825	0.8
69.98974	0.9
78.39830	0.9
111.04136	3.9
122.70142	0.9
178.00311	1.1
209.48116	0.9
217.68008	0.9
224.69241	0.9
245.15077	2.1
265.49442	0.9
333.20416	6.6
351.21341	100.0
352.21539	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2136
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
54.38067	0.5
54.81401	0.6
59.94691	0.5
65.66622	0.6
67.05418	0.6
67.29072	0.6
69.48978	0.6
71.88821	0.6
81.06982	0.6
82.13952	0.5
89.52418	0.6
111.64257	0.6
121.02841	1.0
148.10605	0.6
157.84369	0.6
204.45029	0.6
261.82886	0.7
334.89932	0.7
351.21332	100.0
352.21622	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	3.3
53.03899	3.9
54.31355	1.9
55.01807	3.8
55.05453	40.6
57.03374	39.2
57.07004	6.1
67.05427	67.9
69.06992	30.9
71.08546	36.3
72.12396	2.5
79.05410	83.0
81.03344	4.1
81.06973	78.4
83.04902	10.3
83.08537	16.0
84.99869	2.4
91.05409	59.4
93.06977	100.0
95.04887	16.5
95.08536	51.0
97.06435	5.3
98.09014	2.5
99.07990	4.9
105.06974	52.1
107.04932	2.7
107.08545	48.5
109.06468	4.1
109.10107	16.0
111.08029	4.1
117.06985	13.9
119.08524	48.4
121.10085	28.6
123.11691	2.8
129.06914	3.5
131.08528	13.4
133.10104	31.1
135.11664	17.6
143.08482	4.0
145.10104	13.0
147.11650	24.1
149.13240	14.3
151.04517	3.0
151.11159	13.8
157.10089	3.5
159.11671	10.4
161.13213	15.9
163.11153	5.9
163.65936	2.4
170.50240	2.8
171.11728	3.8
175.14651	3.6
179.14275	26.1
185.13255	4.1
241.19612	3.9
259.20514	23.5
277.21567	19.2
316.10449	2.7
333.24017	4.9
351.25220	51.3
359.03491	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88398	3.8
55.01799	4.4
55.05454	31.4
56.96503	4.5
57.06987	6.0
59.14397	4.2
67.05423	54.5
69.06992	33.9
69.32327	4.5
71.70093	4.0
79.05401	91.9
81.06965	50.9
83.08527	6.9
91.05409	72.7
93.06972	100.0
95.04848	5.1
95.08535	42.1
97.10048	5.1
105.06969	77.3
107.08517	35.6
107.18710	4.7
109.10075	11.0
117.06960	9.8
119.08530	48.4
121.10065	29.9
129.06984	6.2
131.08533	16.9
133.03418	10.3
133.10094	46.0
135.11641	22.9
145.10139	16.7
147.11620	29.1
149.13258	5.4
157.10042	5.7
159.11655	10.0
161.13272	5.9
171.11627	8.9
173.13214	6.3
174.98465	7.7
185.13147	6.3
198.98378	4.3
212.99820	5.7
241.19435	18.9
259.20483	39.5
285.95944	4.8
299.61160	4.5
311.54266	4.5
333.24210	5.4
351.25262	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00239	1.7
53.03877	6.1
55.05450	27.5
55.54472	1.2
57.03362	9.2
57.07003	2.5
64.45664	2.1
67.05430	47.1
69.06995	16.1
75.04398	2.4
79.05407	87.7
80.05766	2.0
81.06980	44.0
83.08532	6.2
85.06460	2.2
91.05410	83.3
93.06974	100.0
93.46132	1.5
95.04876	13.3
95.08530	34.2
97.10116	1.8
99.08038	1.8
105.04429	2.1
105.06973	71.8
106.07413	1.8
107.08538	53.1
109.06500	1.9
109.10111	12.8
117.06993	15.2
119.08530	49.6
121.06478	2.1
121.10110	31.6
123.11568	1.8
129.06944	7.6
131.08537	18.9
133.10094	30.0
135.11642	24.1
143.08501	7.9
145.10085	10.7
147.11668	28.0
149.13226	9.9
157.10123	7.1
159.11705	13.5
161.13245	18.0
163.14804	2.0
171.11635	9.2
173.13219	7.5
175.14803	3.9
185.13222	8.7
199.14941	2.1
231.21115	2.9
241.19417	16.4
259.20517	48.9
267.94183	1.9
277.21683	2.5
328.53537	1.8
333.24142	2.0
351.25085	24.3
351.28363	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87260	1.0
51.74346	0.8
53.00221	1.0
55.01815	12.9
55.05451	19.4
57.03372	1.3
57.07003	7.1
65.03856	1.8
67.05426	30.2
69.03341	2.5
69.06988	21.6
71.04903	2.4
71.08551	4.6
79.05404	21.0
81.06972	41.5
83.04913	2.4
83.08533	4.8
85.06464	2.3
91.05405	17.3
93.06966	27.3
95.04890	28.2
95.08528	30.7
95.29263	1.2
97.06448	12.4
97.10107	1.3
99.08045	1.4
105.06967	15.3
107.04861	2.1
107.08550	15.1
109.06466	100.0
109.10110	6.8
117.06991	4.9
119.08533	16.1
121.06451	16.1
121.10090	8.7
123.08009	9.6
123.11616	1.7
131.08516	9.3
133.06496	1.5
133.10118	9.6
135.07976	9.9
135.11711	2.4
137.09560	2.8
139.11119	1.4
145.10120	9.3
147.11662	2.9
149.09610	5.4
149.13272	1.2
155.08493	1.7
159.00832	1.4
159.11589	1.8
161.13173	1.5
163.11134	14.0
165.12723	61.6
173.13228	5.6
191.14276	7.1
220.25485	1.3
233.15512	3.5
261.22058	4.8
289.21530	44.6
295.19000	2.7
303.91791	1.4
333.24332	1.8
350.23691	2.3
351.25204	94.1
352.25546	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	1.9
53.03879	5.2
55.01810	7.4
55.05439	1.3
57.03368	7.4
61.02856	7.1
62.06026	0.9
67.05444	0.9
68.99710	2.4
69.03351	34.5
69.06990	100.0
70.06489	1.1
71.04916	5.3
73.02832	9.0
78.86222	1.1
81.03336	20.8
83.92110	1.0
85.02830	78.9
86.09629	1.9
87.00756	48.2
87.04359	1.4
91.05410	5.9
92.64072	1.0
95.04898	1.2
95.08540	1.1
97.02823	49.1
99.04406	12.1
105.01813	42.0
107.08547	1.7
108.04397	1.6
109.02836	20.0
117.01807	2.5
119.04935	1.4
119.08501	1.2
127.03879	52.6
128.86011	1.0
129.01837	1.6
140.07071	1.1
145.04938	22.6
159.02866	9.4
181.04910	4.1
186.10548	1.2
213.03786	1.2
231.04945	11.3
249.06062	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	352.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86205	1.1
55.01815	2.0
55.05455	12.5
67.05428	38.7
69.06979	10.1
72.04071	1.3
72.04435	26.1
72.20621	1.2
79.05410	8.3
81.06976	39.6
83.08538	3.1
83.75582	1.1
90.05482	100.0
91.05381	8.1
93.06967	12.6
95.04942	1.3
95.08537	27.3
97.10095	1.5
105.06994	3.1
107.08547	5.7
109.10093	6.4
119.08556	2.1
121.10094	4.8
121.27747	1.2
123.11652	1.5
133.10068	1.9
135.11617	1.5
147.11696	1.9
149.13217	1.7
245.22635	1.6
263.23468	1.6
271.61771	1.2
292.26160	2.0
316.26236	1.8
334.27136	10.2
352.28336	4.9
352.32025	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50190	1.2
53.00269	1.3
54.21490	1.0
55.05451	8.4
57.07009	7.2
61.25916	1.0
65.03865	1.5
65.10791	1.0
67.05428	42.9
69.07005	8.8
71.08541	2.7
72.02016	1.4
79.05407	11.8
81.06980	32.8
83.08539	5.0
90.05485	100.0
91.05415	7.8
93.06976	11.1
95.08530	31.4
97.06487	1.6
97.10095	2.0
105.06965	7.0
107.08581	5.2
109.10124	10.2
119.08534	2.1
121.10118	6.4
123.11662	3.0
128.46860	1.2
133.10106	2.9
179.48073	1.3
183.61960	1.3
236.93173	1.3
245.22449	3.9
263.23529	5.1
315.05106	1.3
352.28625	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	6.2
55.05440	7.5
56.96494	1.4
57.07011	11.6
65.53645	1.2
67.05422	16.3
69.06982	13.2
71.08557	16.6
72.04430	91.5
75.79150	1.2
77.76791	1.3
79.05404	11.6
81.06982	25.6
83.08547	2.7
85.06465	2.3
91.05397	8.2
91.53436	1.2
93.06974	20.7
95.04886	22.1
95.08527	25.1
97.06448	6.4
99.08027	5.5
100.07514	1.7
103.16417	1.3
105.06998	10.4
107.08536	14.4
109.06472	33.6
109.10093	6.7
114.09116	11.0
117.06977	1.8
119.08541	11.4
121.06449	7.1
121.10067	8.1
121.67134	1.4
123.08009	2.6
123.11605	1.9
128.10640	3.1
130.09950	1.4
131.08522	7.8
133.10143	10.7
135.07988	5.6
135.11636	2.0
142.12236	2.8
145.10075	2.0
147.11641	3.0
149.09650	3.3
149.13243	2.3
156.13757	1.7
159.11620	1.5
161.13200	1.6
162.74724	1.4
163.11124	5.5
165.12720	100.0
168.13826	1.6
173.13231	8.2
175.11182	2.1
177.12651	2.5
179.14265	1.7
180.13800	2.9
182.15350	6.1
191.14249	7.3
201.12671	1.9
212.16476	3.0
220.16916	7.7
226.21664	1.5
236.20007	18.1
259.03799	1.5
271.20599	2.5
289.21561	10.9
301.01517	2.2
316.26248	5.9
334.27353	98.5
352.25400	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	352.2842
Annotation	Melophlin E
Peak:m/z	Relative Intensity
55.05452	5.5
57.07004	4.1
61.19226	3.5
61.87243	3.7
62.06018	78.5
67.05424	7.0
69.07009	6.9
81.06985	10.4
92.10889	5.7
95.08545	4.6
97.06405	4.5
102.00836	3.8
109.06477	9.3
133.10059	4.4
149.64937	4.3
165.12753	22.1
254.61955	4.5
291.23154	10.0
352.28192	21.7
352.31818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	5.5
57.07008	57.7
67.05412	6.1
69.06969	3.5
69.16666	2.5
71.08543	50.9
72.04414	4.7
72.08054	16.6
79.05383	4.6
80.48510	2.9
81.06970	17.9
83.08510	5.5
85.10104	28.5
87.73185	3.3
87.98290	3.4
89.05949	100.0
93.06945	4.9
95.08541	11.3
95.56731	3.5
99.08018	4.9
105.06980	3.3
107.06989	5.3
107.08512	4.1
109.06442	5.1
117.32023	2.5
119.93542	3.2
122.08234	2.8
133.08588	24.8
146.04237	3.2
165.12709	17.9
177.11113	4.1
195.12268	24.0
236.20003	4.5
238.21394	2.9
257.56525	3.2
261.21985	3.2
289.21533	6.4
291.33423	3.4
334.27539	21.7
334.30930	5.2
335.27899	38.2
335.31473	4.5
351.24951	12.3
351.33652	5.1
352.25116	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.321
Annotation	N-cis-11,14-eicosadienoyl ethanolamine
Peak:m/z	Relative Intensity
51.16248	0.6
51.29164	0.7
55.05458	12.8
57.07005	3.1
64.34692	0.6
65.55763	0.6
67.05441	5.8
69.06659	0.9
69.06996	15.3
70.02879	6.7
70.06523	9.5
71.08552	1.6
71.10669	0.8
79.05403	3.7
81.06969	5.3
83.08549	7.7
87.78723	0.7
88.07557	100.0
93.06986	3.8
95.08532	4.8
97.10081	3.7
100.91527	0.7
107.08518	1.3
109.10141	1.0
109.23469	0.8
114.05506	7.3
121.10120	1.8
135.11674	0.8
156.10228	1.2
170.11661	1.0
178.52023	0.8
198.55939	0.8
210.91208	0.8
352.32037	53.2
353.32632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28605	1.2
57.07003	6.3
57.19829	1.0
63.36506	1.1
65.60104	1.1
69.06975	2.8
84.08057	2.0
86.09626	47.6
89.05946	1.5
91.67762	1.3
189.87737	1.2
350.02753	1.3
352.35657	100.0
353.35910	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	353.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05424	1.8
56.61701	1.4
62.17262	1.2
67.05396	1.7
69.06971	1.4
69.40569	1.2
78.41613	1.5
81.06942	1.6
82.33167	1.5
85.02834	1.6
85.04655	1.4
88.03827	1.3
96.24904	1.3
97.02815	2.1
100.28876	1.5
106.09743	1.3
116.98598	3.2
122.05807	1.4
147.04366	2.0
161.01283	1.6
183.56697	1.3
199.39961	1.3
205.11885	2.0
249.10909	18.6
259.87485	1.3
260.58310	1.4
260.91006	1.4
267.12024	5.4
309.13083	8.6
353.12015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02451	0.3
56.96509	0.2
64.33760	0.3
65.03860	2.8
66.04645	0.3
77.03838	0.6
79.05412	5.3
91.05411	100.0
92.05732	0.7
92.65002	0.2
95.04879	1.2
107.00435	1.5
108.01222	6.5
126.02254	0.5
152.06279	0.4
152.20154	0.3
155.08562	0.3
169.06546	0.3
183.03558	16.8
184.04323	4.3
185.05118	8.7
190.43353	0.3
190.66615	0.3
201.04805	0.4
202.05402	1.4
219.05731	1.6
261.08231	16.9
261.10986	0.6
262.08994	9.0
293.07278	3.0
294.07999	17.4
295.08456	0.3
296.57004	0.3
353.14478	98.4
353.23120	2.5
354.14816	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	353.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12086	0.7
55.05455	0.8
56.04969	8.2
58.06536	16.2
59.04925	1.1
60.04451	1.2
67.05429	1.2
67.58335	0.9
68.04945	5.1
69.06979	4.1
70.06508	31.9
71.06842	1.5
79.05407	5.3
81.06972	1.0
84.04428	100.0
84.08064	5.3
85.02837	7.9
85.03925	1.1
86.03477	0.9
86.09624	7.3
91.05392	4.8
93.06963	1.3
96.08054	53.1
99.29442	1.1
103.05400	27.9
105.06957	1.2
107.04912	9.6
110.07088	6.3
112.84684	0.9
114.09131	3.5
115.08626	1.2
116.07021	4.3
116.12894	0.8
119.04879	2.0
120.08060	64.8
121.06461	1.5
121.08371	1.2
124.07549	29.2
127.03848	0.9
130.06453	1.0
131.04907	14.8
134.05939	1.2
134.99728	0.9
136.07536	3.7
142.08623	43.0
146.06010	1.7
147.04353	1.7
149.05975	1.7
166.08591	11.4
167.07019	5.2
170.08076	53.8
186.09094	16.1
188.07343	1.5
188.09169	19.2
201.10249	2.1
204.10214	1.4
214.10568	1.0
215.51219	1.0
224.53580	1.0
229.09674	6.3
232.09641	34.6
245.11491	0.9
257.09100	6.9
275.10089	1.9
278.10159	12.2
335.12454	3.5
353.17068	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	353.2299
Annotation	PGF2beta
Peak:m/z	Relative Intensity
51.10871	2.2
56.14812	2.2
57.96653	2.1
62.35306	2.1
70.74597	2.1
73.19366	2.2
84.12716	2.1
116.98550	3.4
134.16818	2.7
135.82367	2.8
164.59415	2.9
342.46381	2.8
346.69678	2.4
353.22934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12672	0.6
75.72215	0.6
79.43495	0.6
81.06962	0.7
89.57243	0.6
93.62570	0.7
114.37002	0.7
147.52644	0.6
192.65356	0.7
319.04584	0.7
353.22882	100.0
354.23355	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	353.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89034	1.9
54.44471	1.8
84.50517	2.3
92.10846	2.8
339.23947	2.5
353.26566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13462	4.0
55.05463	38.3
56.11293	3.4
57.07011	7.1
67.05429	25.5
69.06993	30.1
71.04907	6.0
71.08535	30.7
79.05400	26.4
81.06965	46.5
81.62567	3.8
83.04890	4.8
91.05389	8.1
92.10294	5.2
93.06969	45.6
95.04903	20.7
95.08523	40.9
97.06454	9.6
99.08017	7.3
105.06962	16.1
107.08542	37.6
109.06454	48.2
109.10123	17.6
111.08061	5.6
112.11057	4.0
119.08559	16.9
121.10128	5.7
131.08441	4.1
133.10126	5.3
135.11577	5.7
152.02007	4.1
165.12723	56.5
193.15790	4.7
235.16905	7.1
291.23129	94.3
295.70963	3.9
353.26849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.00241	1.4
55.05445	17.0
57.03370	7.2
57.07011	3.5
60.95884	1.4
67.05428	100.0
69.06995	16.3
79.05408	45.5
79.08360	1.4
80.69534	1.8
81.06976	94.6
83.04884	1.7
83.08525	5.7
91.05412	19.7
93.06974	52.4
93.25801	1.6
95.04868	3.1
95.08534	68.5
95.09158	2.2
97.06489	2.4
97.47929	1.6
105.06979	14.4
107.08543	36.9
109.10109	29.0
117.07000	9.9
119.08531	13.6
121.10089	23.2
123.11668	14.4
131.08534	16.2
133.10089	10.0
135.11641	21.1
137.13148	1.9
145.10132	10.6
147.11668	7.4
149.09592	1.9
149.13275	16.0
159.11655	8.7
161.13295	5.7
163.14760	6.0
173.13258	3.8
186.31795	1.7
187.14745	3.6
243.21109	12.1
261.22137	35.4
279.23065	2.4
315.75336	1.8
335.25702	7.5
352.31995	2.1
353.21051	7.5
353.26733	14.9
353.32217	6.2
354.33539	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.00251	1.1
53.03878	2.9
55.01806	1.1
55.05188	0.8
55.05452	17.2
57.03364	4.6
57.07018	5.6
65.03868	2.7
67.05428	95.9
69.03300	0.9
69.06992	14.1
71.04895	1.3
71.64727	0.7
72.04430	0.9
79.05405	53.8
81.06974	100.0
82.07322	0.9
83.08537	6.1
85.06463	1.2
90.05477	3.0
91.05408	27.1
93.06360	1.1
93.06972	63.4
95.04884	4.5
95.08533	67.1
97.06448	4.3
97.10086	2.9
99.08025	1.4
105.04391	0.9
105.06971	21.4
107.08533	36.7
109.06487	1.7
109.09399	1.3
109.10107	27.9
111.08076	1.3
117.06945	8.9
119.08528	15.0
121.10104	28.9
123.08067	1.1
123.11652	10.3
129.06944	1.0
131.08528	20.7
133.10089	12.9
135.11656	21.4
137.13205	3.0
145.10094	13.8
146.10417	0.7
147.11674	7.5
149.09558	1.2
149.13226	13.8
153.12704	1.2
159.11693	9.4
161.13223	6.6
163.14809	7.5
169.65495	0.8
173.13240	9.8
175.14790	3.1
177.16379	1.2
179.14313	1.0
187.14781	6.9
205.15941	0.8
233.22626	1.0
243.21028	12.2
261.22083	41.1
262.22452	1.0
279.23221	1.2
290.61179	0.8
335.25668	3.3
353.26843	13.4
362.96698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.51717	2.8
55.05449	26.7
56.66587	3.3
57.03382	6.5
57.07000	9.4
66.36685	3.8
67.05431	88.2
67.46762	2.9
69.06982	26.1
71.04927	4.1
71.08540	32.2
79.05412	51.2
81.06977	100.0
83.08550	16.1
85.02825	22.7
91.05393	38.8
93.06967	70.8
95.08530	72.1
97.06484	5.7
97.10138	4.4
99.08023	19.9
101.32413	3.9
105.06969	29.0
107.08526	54.4
109.06489	6.6
109.10114	38.5
116.98555	6.3
117.06950	7.9
119.08537	19.9
121.10106	34.5
123.11623	7.3
123.22094	3.5
131.08511	9.7
133.10078	9.5
134.99631	6.3
135.11667	21.6
136.30635	4.8
137.09514	4.8
145.10141	15.5
149.13232	18.0
159.11678	5.7
161.13263	4.1
163.14764	6.6
165.12761	8.2
169.96715	3.7
173.13200	8.3
175.11136	6.1
184.36043	3.8
187.14711	5.7
221.11780	7.6
243.20935	6.8
261.22110	38.5
291.23077	17.8
335.25455	6.4
336.28784	4.8
353.26755	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03885	2.2
55.05450	19.5
57.03363	10.1
57.07003	2.8
64.77825	2.0
65.03859	3.1
67.05084	3.7
67.05431	96.2
67.12885	1.9
69.06981	17.2
75.94532	2.0
79.05412	47.9
79.60976	2.0
81.06976	100.0
83.08533	4.2
85.67893	2.3
86.09600	2.5
91.05412	21.2
92.10999	2.1
93.06972	68.6
95.04893	3.1
95.08527	63.9
97.10090	3.7
105.06971	22.2
107.08546	30.6
109.10107	28.5
113.79235	2.1
116.98583	4.5
117.06949	9.7
119.08524	17.3
121.10091	25.5
123.08067	2.7
123.11649	11.2
123.97045	2.4
131.08525	18.3
133.10097	8.4
135.11684	19.2
145.10144	4.4
147.11674	4.1
149.13211	11.7
153.00609	2.2
159.11690	4.1
161.13289	3.1
163.14772	4.7
173.13190	11.8
187.14729	3.2
243.21077	12.4
261.22113	37.9
262.22324	2.5
288.62256	2.6
335.25769	4.0
336.88876	2.4
353.26685	13.4
363.31079	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03892	2.0
55.05447	18.2
57.03365	3.4
57.07004	3.3
62.37785	1.4
67.05425	97.5
67.05786	3.8
69.06987	14.8
71.04848	1.8
71.81774	1.5
76.55412	2.0
79.04965	2.1
79.05409	72.5
81.06973	100.0
83.08533	7.6
85.06458	2.5
85.28797	1.6
90.59718	1.6
91.04992	1.5
91.05415	25.3
93.06972	71.9
94.96612	1.6
95.04887	3.1
95.07970	2.9
95.08530	62.1
98.97478	2.0
105.06960	21.5
107.08530	48.0
109.10107	31.4
117.06960	10.5
119.08517	18.8
121.10096	34.1
123.11642	10.9
131.08534	22.2
133.10094	13.0
135.11655	24.5
145.10075	15.1
147.11641	12.2
149.13231	14.8
159.11665	13.6
161.13199	8.2
163.14780	8.9
173.13226	8.1
175.14757	2.4
177.16194	2.0
187.14754	8.3
195.95804	1.8
208.46790	1.6
243.21091	12.1
261.22079	48.3
261.24612	2.8
277.33322	2.1
335.25647	7.3
353.26715	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	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	2.8
55.05451	18.8
56.04965	9.6
56.96490	3.7
57.03378	4.8
57.07001	12.3
67.05428	100.0
67.52022	2.1
69.06982	20.0
71.08545	2.7
79.05409	59.1
81.06976	98.4
82.33730	2.3
83.04881	2.7
83.08531	9.9
85.06439	3.2
91.05405	37.9
93.06436	4.0
93.06975	75.0
95.04870	12.0
95.08533	71.5
97.06472	3.2
97.10056	2.8
97.65166	2.3
105.06977	23.9
107.08541	41.4
109.06454	10.2
109.10108	30.2
117.06957	10.0
119.08573	18.3
120.86865	2.6
121.10121	36.3
123.11658	4.6
131.08559	22.0
133.10101	9.7
135.08112	2.6
135.11641	21.7
137.09665	3.1
145.10065	13.2
147.11670	6.1
149.13234	13.6
154.12206	30.7
159.11716	9.3
161.13161	8.0
163.14818	5.9
165.12752	6.0
171.14867	14.8
173.13216	5.1
175.14601	3.5
187.14725	5.2
192.59561	3.1
243.21046	15.1
261.22086	41.0
278.74728	3.4
335.27499	2.5
353.26529	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	354.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94316	2.1
51.01846	2.4
53.10251	2.5
55.05455	34.7
56.96513	2.5
57.03366	3.0
57.07010	19.9
62.06032	22.3
64.03265	2.5
67.05418	6.0
69.06985	3.4
74.83061	2.7
76.56165	3.1
79.05401	5.6
79.44817	3.1
81.03336	3.1
81.06985	5.0
83.04893	3.6
83.08537	26.0
85.02817	12.0
85.06448	25.0
91.05392	12.8
93.06959	3.8
95.04888	2.9
97.02813	4.4
100.11185	100.0
102.09119	13.9
102.50536	2.6
102.60679	2.7
107.04895	2.9
109.10056	3.1
110.06036	4.9
111.04383	3.5
114.09124	6.3
124.07491	4.0
136.07576	17.9
145.10046	3.6
164.07039	11.8
180.33867	3.1
182.15370	20.4
184.16943	43.9
200.02260	5.6
210.14886	31.6
227.17529	4.7
228.15956	14.8
238.18332	3.6
297.12354	3.7
311.23227	58.0
329.11923	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	354.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66643	0.8
53.03885	6.1
55.01814	7.0
56.96486	0.8
57.03383	9.4
61.02847	6.9
62.40025	0.8
67.05422	1.4
67.24743	0.7
68.99731	3.4
69.03349	47.9
69.06986	8.4
71.04913	6.1
73.02837	8.1
77.39400	0.8
79.05399	1.4
81.03340	29.2
81.06971	2.0
85.02827	100.0
87.00755	54.5
87.04398	1.0
91.03892	1.7
91.05434	1.5
93.06976	1.1
97.02820	29.0
99.04387	12.8
105.01812	40.2
105.06989	3.5
108.04396	1.4
109.02837	23.2
109.10131	1.4
111.11660	2.0
117.01797	2.0
119.08520	1.3
127.03883	47.0
129.01819	3.4
139.11130	1.6
145.04930	16.9
146.06047	1.6
147.04373	1.8
157.12228	4.9
159.02859	10.3
161.97372	1.1
179.56224	1.0
189.03809	1.0
231.04913	9.5
249.06039	4.6
271.16837	1.1
335.18604	1.4
336.18958	3.5
362.39789	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.4
54.76191	0.4
55.01812	0.5
55.05450	6.9
56.04965	1.7
56.96486	0.5
57.03374	9.8
58.06525	2.8
59.04932	0.8
61.02847	2.3
65.12924	0.3
67.05414	0.8
68.04936	0.5
69.03353	4.5
69.06988	40.4
70.06509	23.7
70.06898	0.8
71.04907	12.5
71.06837	0.9
72.08088	0.5
73.02823	2.2
73.06458	2.6
74.02380	0.5
75.04395	3.2
79.05399	2.6
79.33343	0.4
81.03363	1.3
81.06960	1.7
83.06036	0.9
83.08537	7.6
84.04426	14.6
84.08063	2.4
85.02827	13.8
85.04752	2.0
86.09634	6.6
87.08034	1.8
91.03908	0.5
91.05392	2.1
93.04467	0.6
93.06986	3.7
95.06054	0.6
95.08544	5.4
96.08040	6.3
97.02818	3.2
97.06461	11.1
97.08394	1.0
98.05972	0.7
101.07095	0.5
102.05458	0.6
103.05392	2.6
104.05710	0.6
107.04876	1.6
108.05219	0.6
109.02844	0.7
110.07116	7.1
112.07444	0.4
112.08725	0.5
115.07519	100.0
119.04904	0.5
120.08060	7.6
121.08383	2.5
121.10078	0.9
124.07552	3.2
125.07892	0.6
126.05453	0.7
127.03888	1.8
130.04974	0.8
131.04916	0.5
132.10138	0.9
136.07541	0.5
139.07443	0.4
139.11218	1.6
142.08609	4.7
143.08961	0.8
145.04961	0.7
157.08572	3.6
157.12221	2.3
166.08633	1.6
170.08087	5.6
171.08464	1.9
175.09624	27.9
186.09105	1.0
186.39755	0.5
187.09497	0.8
188.09135	0.8
189.09489	0.8
194.11729	0.7
232.09665	1.8
233.10057	2.8
263.52365	0.5
327.07059	0.5
353.17056	1.8
354.17163	3.2
370.08618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.7
55.01805	0.9
55.05456	6.9
57.03374	5.3
60.04457	0.6
62.06019	100.0
66.09765	0.5
67.05433	14.7
69.06980	4.6
70.02872	0.8
71.04913	3.5
79.05408	17.2
81.06980	20.0
83.08537	1.5
84.22424	0.7
85.06485	1.3
89.05959	0.8
91.05406	15.2
92.10278	1.4
93.06970	21.1
95.04893	2.7
95.08528	15.1
97.06455	1.5
98.05999	3.0
99.07998	0.7
100.11145	0.7
105.06976	13.9
107.08539	11.5
109.06472	2.7
109.10076	4.6
117.06947	6.8
119.08528	12.0
121.10114	8.0
123.11647	1.2
129.06981	3.4
130.08568	1.0
131.08537	12.0
133.10112	5.5
135.08005	1.2
135.11636	1.5
143.08560	3.9
144.10324	0.8
145.10115	9.2
147.11667	4.6
149.09605	1.3
153.93146	0.7
157.10081	1.2
159.11674	6.6
161.13235	1.4
163.14850	0.9
169.10033	0.9
171.11684	1.2
173.13245	5.1
185.13268	1.6
187.14835	3.9
203.14317	1.0
205.15842	2.6
215.17935	1.0
239.17946	1.4
252.19655	0.9
257.18909	4.4
266.21085	11.0
275.19824	0.9
280.22784	0.9
297.20947	0.7
318.24249	12.0
336.25314	6.3
337.25769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	1.5
55.01815	2.9
55.05458	19.8
57.03366	4.8
60.04453	1.6
60.23316	1.0
62.06020	100.0
63.10740	1.1
67.05423	13.7
69.03339	1.7
69.06989	8.3
70.02869	1.6
70.06516	1.3
71.04903	2.3
79.05412	22.6
81.06978	19.2
82.06518	2.1
83.04916	1.9
83.08546	11.1
84.86294	1.1
86.05990	1.6
86.09627	1.8
89.05949	1.3
91.05412	20.4
91.58009	1.8
93.06969	23.5
95.04869	2.5
95.08536	14.6
97.06480	2.4
98.09601	2.0
100.11191	45.8
101.11547	2.3
103.05418	1.3
105.06982	24.5
107.04913	2.1
107.08537	12.2
109.06464	2.7
109.10105	3.0
111.33531	1.4
114.09106	1.8
117.06985	10.9
117.13825	1.7
119.08512	12.7
121.06477	2.7
121.10075	8.2
128.07034	1.9
129.06952	2.1
131.08528	12.6
133.06471	1.6
133.10094	5.5
135.08003	1.9
135.11700	2.4
136.07472	1.5
141.11482	1.9
143.08586	1.8
145.10106	14.6
147.11607	4.7
149.09637	1.7
155.08453	2.4
156.13817	1.9
157.10126	2.7
158.07243	2.1
159.11716	10.3
161.13226	2.2
171.11627	2.6
173.09604	8.2
173.13235	5.3
173.16478	1.6
182.15341	13.9
183.15733	2.2
185.13232	1.3
187.11119	1.9
187.14777	2.7
199.18033	2.5
200.99886	1.1
205.15930	2.4
209.16498	1.7
210.14911	6.0
215.10658	1.7
215.17847	2.3
233.11642	1.5
257.18842	2.2
266.21133	10.8
318.24319	15.5
336.25269	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	354.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	5.7
57.07020	4.0
61.59155	0.8
64.63664	0.9
67.05431	8.2
69.06979	6.4
69.71935	0.9
71.04918	1.1
71.08547	22.5
72.04434	20.5
79.05394	4.1
81.06973	11.0
83.08533	1.8
85.02820	4.8
91.05395	2.3
93.06963	7.8
94.86877	0.9
95.04898	4.1
95.08534	13.4
97.06449	1.6
99.08023	11.8
105.06969	4.4
107.08541	6.5
109.06451	5.2
109.10118	4.4
114.09069	1.6
116.98573	1.0
119.08494	2.2
121.10100	3.6
128.10681	2.2
130.48369	1.0
133.10104	2.1
135.11697	1.7
140.13052	1.0
142.12215	1.3
147.11624	1.1
153.12720	1.3
165.12704	10.4
182.15335	1.0
212.16481	1.5
221.11688	1.1
235.17064	1.3
238.21642	11.4
291.22989	11.7
309.24042	2.0
336.28888	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00219	1.4
53.03890	1.0
53.11265	1.1
53.16920	1.0
55.01801	2.1
55.05190	3.0
55.05452	79.1
57.07013	41.4
67.05078	2.6
67.05427	61.0
69.06988	100.0
71.08553	26.3
76.12170	1.3
78.42030	1.4
79.05402	15.2
81.06976	84.2
81.07452	3.5
82.58978	1.4
83.04915	2.6
83.08535	61.1
85.10107	6.8
85.68385	1.6
91.05408	13.0
92.04322	1.3
93.06964	22.5
95.08533	84.5
97.06473	12.0
97.10104	41.4
100.07541	3.4
101.69639	1.4
105.06949	9.9
107.08549	15.8
109.10110	34.6
111.08022	7.2
111.11656	10.2
114.09147	2.9
119.08546	9.1
121.10088	16.6
123.11665	9.7
125.09552	2.4
125.13264	2.1
126.57981	1.5
128.10699	1.5
133.10115	11.0
135.11668	9.2
137.09616	1.9
137.13232	7.3
139.11137	2.0
147.11647	7.6
149.13194	5.7
151.11143	1.6
153.12721	2.2
155.10667	1.8
161.13213	6.3
165.12703	1.8
175.14807	6.8
179.14316	1.9
212.20129	5.4
228.19519	2.7
274.72043	1.6
301.28860	8.2
319.29849	29.7
336.32489	13.9
354.33707	5.8
355.31873	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	354.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90825	0.6
52.44588	0.7
54.01035	0.6
55.05438	1.4
57.07016	11.8
58.45266	0.6
60.30457	0.8
69.06976	2.7
71.04910	1.0
71.08543	9.2
73.26436	0.7
74.05983	4.2
85.10121	0.8
85.51294	0.9
85.77786	0.7
88.07556	12.9
88.11179	1.0
97.10085	1.0
100.63206	0.7
102.09109	7.3
116.10693	1.8
151.78302	0.9
158.15311	1.3
185.77544	0.8
271.89273	0.8
284.29425	39.7
326.71585	0.8
354.37238	100.0
355.37628	4.4
357.11984	0.9
370.63416	0.8
377.08951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2264
Annotation	Guayulin B
Peak:m/z	Relative Intensity
57.07008	10.8
59.47238	0.5
67.05419	0.7
69.03328	0.6
69.06957	0.6
69.43307	0.4
78.19659	0.4
79.05391	1.8
91.05403	8.5
92.63435	0.4
93.06961	3.7
95.04889	0.7
95.08505	0.7
99.58726	0.4
103.05337	0.7
105.06963	6.7
107.04893	0.5
107.08542	3.5
109.10093	0.7
117.06960	3.7
119.04883	5.4
119.08527	19.6
120.09325	0.4
121.06451	27.5
121.10077	1.8
123.08003	2.5
128.06152	0.6
129.06921	0.5
130.07732	1.9
131.08528	1.9
133.06454	0.7
133.10086	6.5
134.10851	2.1
135.04347	5.1
135.08025	8.1
135.11633	1.7
136.08794	0.6
137.09584	22.5
143.08510	0.6
144.09183	0.4
145.10094	1.0
147.04390	2.2
147.08023	4.7
147.09137	1.0
149.05927	1.0
149.09610	3.2
149.13219	6.2
159.11687	0.5
161.09572	6.5
163.11154	0.6
164.36459	0.4
165.05440	7.0
175.07495	38.1
176.07817	0.7
177.12698	82.7
178.13046	2.9
179.10661	2.2
191.10620	100.0
192.10956	3.6
199.56062	0.5
266.31351	0.4
299.16342	12.7
300.16418	0.7
355.22552	16.8
356.22763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2818
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
50.91762	0.6
51.55748	0.6
51.69199	0.7
54.81629	1.1
55.05445	4.6
57.07004	1.0
67.05424	5.5
69.06980	4.1
70.06505	6.5
72.03123	0.7
79.05380	0.9
81.06965	3.3
83.08532	1.9
85.27503	0.9
88.07545	4.1
91.05403	1.0
93.06966	1.5
95.08536	4.3
106.08591	1.7
109.10108	1.5
115.08641	1.8
119.08556	1.1
155.94749	0.9
169.23512	1.0
206.06519	0.9
240.99043	1.1
263.23615	1.0
264.80759	0.9
355.28110	100.0
356.28415	5.2
356.35123	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2815
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
55.05445	1.0
69.06973	1.5
70.06532	1.3
83.08517	0.6
88.07526	1.5
110.19025	0.6
111.42589	0.7
112.34393	0.6
172.33751	0.7
242.43665	0.7
303.54953	0.7
355.28101	100.0
356.28424	4.5
356.35077	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	355.2838
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
53.03881	1.7
55.05451	24.1
56.65370	1.5
57.03368	2.2
57.07005	11.2
63.87337	2.2
65.03847	2.1
67.05080	4.0
67.05429	93.7
69.06993	32.4
71.08533	2.2
73.86026	1.8
79.05415	23.8
81.06511	4.0
81.06979	100.0
83.08535	14.1
85.10095	2.2
91.05404	19.4
92.10183	3.9
93.06975	22.7
95.08537	72.7
97.06483	3.5
97.10094	8.6
103.44108	2.2
105.06969	11.6
106.91368	1.7
107.08533	17.6
109.10111	31.9
119.08517	12.6
121.10075	14.8
123.11636	12.4
133.10100	9.2
135.11652	8.5
137.13246	3.3
147.11632	7.6
149.13161	3.6
154.32275	1.9
161.13220	9.9
163.14874	2.9
165.16357	2.7
175.14764	3.0
195.39944	2.0
245.22592	24.2
251.21608	2.2
263.23624	21.0
337.27280	16.4
355.28070	38.7
356.35098	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2814
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
52.55102	0.7
54.81632	0.8
60.27726	0.8
82.21293	0.8
82.33753	0.8
84.95331	1.0
88.07545	1.1
120.01759	0.8
149.94705	0.9
161.58186	0.8
166.01913	0.9
301.26636	1.1
310.75824	0.9
314.98343	0.9
337.27356	0.9
355.28134	100.0
356.28488	1.3
356.35178	1.7
365.23837	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03869	1.9
53.96042	1.7
55.01820	2.0
55.05447	33.3
57.03362	8.1
57.06998	10.7
58.02735	1.9
67.05424	100.0
67.93365	1.8
69.03352	2.7
69.06981	33.8
70.42065	2.2
71.01141	1.7
71.08531	2.4
79.05396	29.3
81.06509	4.0
81.06970	96.9
83.08524	18.8
83.58015	1.6
85.06452	2.4
91.05398	22.1
93.06966	26.6
95.04887	2.0
95.07963	3.5
95.08533	70.6
97.02802	2.6
97.06463	4.4
97.10087	4.1
102.24117	2.2
105.06969	15.1
106.50710	1.7
107.08525	16.7
109.10091	30.7
116.98573	2.8
119.01842	10.2
119.08504	9.7
121.10104	16.7
121.63662	1.8
123.11651	14.6
127.03833	2.2
131.01862	3.2
133.10078	12.4
134.99622	3.1
135.11638	3.4
137.03006	2.8
137.13231	2.0
143.01816	2.2
144.08859	1.8
145.03438	3.4
147.11667	8.0
149.02869	2.5
149.13213	2.6
152.89153	2.1
155.01740	3.3
161.02896	3.4
161.13216	3.9
163.14809	2.8
165.12698	2.2
173.02882	12.8
175.14815	3.8
185.02922	7.9
197.02972	2.7
245.04974	10.7
245.22556	11.9
263.23666	13.4
337.27295	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	356.3518
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
54.49286	0.4
54.65350	0.4
55.05452	17.7
55.52162	0.3
57.07011	4.7
58.06518	1.0
59.20061	0.5
62.05990	0.6
63.56011	0.4
64.32866	0.5
67.05441	0.5
68.04946	0.5
69.06984	11.5
70.06145	0.8
70.06506	18.7
71.08541	0.7
83.08548	4.0
88.07545	21.8
92.10201	0.9
92.87905	0.4
97.10098	1.1
102.09114	6.6
104.26442	0.5
106.08611	11.1
117.05803	0.4
117.86934	0.4
121.68426	0.5
154.44815	0.5
178.41142	0.5
186.03780	0.5
312.32492	0.6
338.34109	10.4
356.35132	100.0
357.35535	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02354	0.2
54.81692	0.2
57.47323	0.2
63.02298	0.2
65.03872	2.5
67.05029	0.2
68.01967	0.2
69.03352	0.5
70.06519	1.0
71.04910	0.3
76.02135	0.3
81.03339	1.4
84.04429	0.3
84.08066	1.5
85.02837	1.0
86.09605	0.2
90.05469	0.3
91.05408	24.0
95.04922	0.4
97.02841	0.3
109.02845	0.9
110.07120	0.4
112.57607	0.2
119.04900	52.7
120.05276	0.4
123.03480	0.2
123.04385	1.8
123.32465	0.2
129.10208	0.4
134.05977	0.3
136.06165	0.2
147.04395	100.0
148.04729	1.5
151.03918	0.2
158.02681	0.8
165.05347	0.3
236.80551	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	358.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95129	0.4
55.05456	0.4
55.83491	0.5
57.07016	10.3
58.06515	0.7
65.61086	0.4
70.06139	0.8
70.06511	17.2
71.08546	3.9
77.08508	0.4
85.10121	1.7
88.07554	23.1
102.09100	5.6
103.36819	0.4
106.08615	10.9
121.69849	0.4
189.57436	0.5
197.94171	0.4
244.46169	0.4
314.34134	0.6
340.35663	7.4
358.36734	100.0
359.37143	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	359.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81644	0.4
55.01805	0.4
55.05420	0.5
55.21016	0.3
56.13441	0.3
56.14988	0.3
56.40495	0.3
57.03378	0.3
57.07002	0.5
61.57552	0.3
63.06322	0.3
67.05411	1.0
69.03337	1.9
69.06985	0.8
70.19121	0.3
81.06967	2.1
83.08530	0.4
85.02827	3.4
86.09609	0.6
93.06976	0.8
95.08529	0.9
97.02814	1.7
99.04394	0.5
105.06927	0.5
116.98555	0.5
117.06960	8.2
127.03851	2.7
129.06935	2.3
131.08505	1.6
133.10127	0.6
134.99634	0.6
143.08516	0.9
145.04877	0.8
145.06448	6.8
147.08015	0.6
157.06445	3.6
159.11664	5.2
167.08446	0.5
171.08023	6.0
171.11610	1.0
171.35028	0.5
172.08774	1.6
173.09608	1.5
185.12959	0.5
187.11137	100.0
188.11481	1.7
199.11165	5.7
209.13170	0.8
213.12672	4.8
223.89610	0.4
227.14244	1.7
240.02309	0.4
269.18924	5.2
273.83902	0.4
308.17926	0.5
315.89996	0.5
359.21939	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	359.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	25.7
55.05445	13.0
56.04979	6.8
57.03368	5.2
57.07000	9.2
67.05418	13.0
69.03342	23.2
69.06990	13.2
70.06510	12.5
72.04433	6.7
78.33701	4.9
81.06968	23.6
83.08556	7.5
84.04414	9.1
85.02846	45.2
87.02619	21.0
88.07539	5.9
90.05467	8.0
95.08546	27.2
98.97507	6.3
99.02619	21.4
104.01630	8.5
105.91192	5.6
116.01611	34.1
116.05254	29.7
126.05472	42.3
127.03865	29.1
134.99498	6.2
139.77200	5.5
144.06567	6.6
145.04916	7.8
158.02663	9.9
184.20552	31.2
196.20560	10.0
242.19269	50.2
256.22702	9.5
342.20795	27.4
359.23663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	1.0
55.01815	3.2
55.05452	16.0
57.03366	2.0
57.07010	7.6
64.33615	0.9
65.03875	1.4
67.05426	41.7
67.17068	0.8
69.03339	5.9
69.06988	36.6
71.04900	2.3
71.08537	1.1
76.56630	1.0
79.05412	14.9
81.06977	100.0
83.04878	1.3
83.08543	13.5
85.02828	10.0
85.06461	10.5
91.05408	6.9
93.06092	0.9
93.06976	38.1
95.04883	12.5
95.08535	79.3
97.02824	4.8
97.06454	3.6
97.10097	8.4
97.10634	0.9
99.08029	4.0
103.87370	0.8
105.04523	1.0
105.06981	13.7
107.08537	46.4
109.06486	2.0
109.10107	85.9
111.11684	3.6
119.08544	18.4
121.10097	29.3
123.11668	25.9
125.09592	4.0
127.03905	7.0
127.11148	16.2
131.08557	3.6
133.10103	10.9
134.78409	1.0
135.08049	2.2
135.11665	22.2
137.09607	7.3
137.13234	8.0
145.04929	1.8
145.10112	5.1
147.11647	9.2
149.13246	21.8
151.11188	1.0
151.14731	1.4
159.11690	4.3
161.13251	8.0
163.11118	1.8
163.14738	11.9
168.75900	1.1
171.11627	1.0
173.13249	2.1
175.14745	4.3
177.12733	1.6
177.16364	9.2
179.10472	1.0
179.14262	1.6
189.16373	4.6
191.17931	1.0
192.06956	0.8
199.14713	1.5
203.17958	4.0
205.15865	1.6
205.19482	1.8
223.16864	1.7
245.22636	1.4
254.10060	0.9
259.24176	3.8
261.15353	0.9
269.22693	1.8
277.25235	10.4
287.23566	10.7
297.12186	0.9
305.24710	43.8
323.25995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	12.6
57.03363	15.6
65.81969	2.9
69.03352	41.4
73.02817	4.5
81.03300	3.3
85.02828	76.1
97.02825	34.8
99.04372	6.8
101.02322	12.2
103.50400	2.7
109.02858	3.8
109.96649	3.1
121.51515	2.5
125.28412	3.2
127.03884	57.5
127.19648	3.0
143.06868	3.1
144.09712	2.9
145.04951	26.1
163.05986	4.8
284.38748	3.5
297.50598	2.8
301.01834	3.2
360.06161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70226	0.5
53.03878	1.6
53.52363	0.7
55.01812	14.0
57.03378	14.1
57.61667	0.6
58.54069	0.6
61.02860	6.8
66.42097	0.6
69.03354	46.0
71.04910	1.4
73.02824	8.3
81.03363	6.3
81.32592	0.6
83.01242	0.7
85.02834	100.0
87.04404	1.0
91.03864	1.1
95.96063	0.7
97.02229	1.5
97.02830	35.0
99.04406	9.0
101.02328	10.0
103.03893	0.8
109.02838	8.8
115.03871	5.4
127.03886	76.9
145.04947	32.8
162.97449	0.7
163.06000	9.5
173.02856	1.0
180.08691	1.5
198.09741	1.0
237.27972	0.9
245.61017	0.7
259.08185	0.7
360.06049	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54544	0.6
53.03891	1.5
55.01550	0.8
55.01812	15.6
56.13163	0.6
57.03373	15.3
61.02857	8.2
69.03349	50.2
71.01275	0.8
71.04911	2.8
72.43007	0.6
73.02836	8.3
78.76104	0.6
81.03335	6.0
85.02828	100.0
86.09652	1.0
87.04379	0.7
91.03871	0.8
92.10394	1.1
97.02830	36.8
97.03463	1.2
99.04385	9.6
101.02312	10.1
109.02854	7.9
115.03896	6.1
127.03880	64.7
145.04944	34.4
145.06094	0.9
158.70042	0.8
163.05968	9.0
180.08627	1.4
259.07648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	6.3
55.01809	2.9
56.04989	0.8
56.96489	0.7
57.03373	4.7
61.02846	4.4
69.03350	28.6
70.06510	100.0
71.01289	0.8
71.04900	3.0
71.52937	0.6
72.08057	4.5
73.02821	3.5
79.24128	0.5
81.03339	25.0
84.04417	1.0
84.08052	0.8
85.02830	41.9
86.09638	5.3
87.04401	0.7
91.05393	3.5
93.06979	0.7
97.02827	15.5
98.06025	2.6
99.04388	7.3
101.02335	0.7
103.03879	3.7
103.05415	2.4
105.85941	0.6
108.04410	2.6
109.02835	19.4
116.07044	14.2
120.08060	35.6
121.06440	3.5
123.04408	0.9
126.05447	0.9
127.03880	27.3
129.10272	0.7
145.04953	8.0
181.04968	0.7
187.06009	13.8
187.07578	1.0
194.88403	0.7
205.07048	14.7
213.12305	13.8
217.13333	9.2
228.10135	1.2
245.12860	9.2
247.09515	0.9
256.09534	1.2
360.19052	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	360.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00234	1.9
53.16427	1.7
54.10095	1.9
54.81750	2.5
55.01807	12.9
55.05441	10.4
57.03364	11.6
57.06993	2.3
58.99494	2.1
60.63956	1.8
67.05426	21.7
67.89487	2.0
69.03346	24.4
69.06990	32.4
69.86533	1.8
71.04908	8.4
73.02833	3.4
73.42302	1.9
76.02119	7.9
79.05409	43.7
81.06986	33.7
83.04903	4.7
85.02829	46.6
85.06452	2.9
86.09604	2.5
91.05413	61.6
93.06979	61.1
94.06474	3.3
95.04899	4.4
95.08537	20.3
97.01064	2.2
97.02843	14.8
97.06468	4.1
98.97556	2.2
99.04393	4.8
101.02309	3.6
105.06983	93.8
107.08549	34.6
109.06476	3.8
109.10092	8.5
117.06972	18.8
119.08544	92.4
121.06466	4.2
121.10094	9.0
122.02670	14.2
122.05984	9.0
123.08016	4.0
127.03876	30.4
128.06250	2.3
129.06969	17.7
131.08553	23.7
133.06438	3.4
133.10095	35.9
135.08020	10.2
135.11691	3.4
137.04118	2.7
140.07048	2.7
143.08545	13.0
144.09370	2.1
145.04950	16.1
145.10069	10.3
147.08049	22.0
147.11659	12.5
149.09573	3.1
151.07571	3.2
153.09093	8.9
157.10094	10.1
159.11667	29.6
161.09624	16.9
161.13225	100.0
163.06017	3.6
165.09065	8.6
173.13251	3.1
175.11176	14.6
175.14719	15.2
179.10603	3.5
183.11668	2.3
185.13211	32.4
203.14273	43.7
203.85625	2.4
204.06451	3.2
221.15321	96.6
324.16299	3.4
342.17300	9.3
343.15747	19.6
360.18481	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1916
Annotation	CHEMBL1807682
Peak:m/z	Relative Intensity
53.03889	0.6
55.01807	1.5
56.96505	0.6
57.03375	1.4
61.02856	0.7
69.03352	7.3
70.06510	100.0
70.96368	0.2
71.04906	0.5
71.06831	0.4
72.08067	1.8
73.02831	0.7
77.25016	0.3
79.05406	0.3
81.03336	5.0
81.10709	0.3
84.04455	0.4
84.08067	0.3
85.02827	11.3
86.09647	1.5
90.45332	0.3
91.05408	2.0
93.06962	1.2
97.02821	4.7
98.05985	2.9
99.04395	1.8
101.02350	0.6
103.03874	0.4
103.05399	2.2
109.02832	4.3
115.03831	0.4
116.07043	14.7
120.08057	31.3
121.06461	0.6
126.05447	0.5
127.03883	7.8
137.05907	0.3
145.04926	2.8
155.62726	0.3
161.80841	0.3
168.06526	0.6
181.04945	1.8
187.05968	2.3
190.16533	0.3
193.96649	0.3
196.05980	0.3
198.01752	0.3
201.08943	0.4
205.07048	3.1
213.12306	17.3
217.13347	9.0
228.10124	2.5
245.12807	9.9
256.09479	0.9
275.90051	0.3
360.12939	0.4
360.19153	3.8
361.14078	0.3
380.32578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.6
53.77271	0.3
55.01823	2.8
55.05455	0.3
56.96481	0.4
57.03369	0.8
59.54603	0.3
61.02853	0.5
64.83071	0.3
65.03868	0.4
67.05411	1.9
68.04168	0.4
69.03347	4.9
69.06979	1.6
70.06512	20.3
72.08041	1.4
73.02808	0.6
79.05403	5.1
81.03339	1.5
81.06982	10.2
84.04428	0.7
84.08055	0.5
85.02834	10.0
86.09628	10.9
88.03914	0.6
91.05400	4.4
93.06972	14.8
95.04895	2.4
97.02813	2.9
98.05964	0.4
99.04362	0.4
101.02282	0.7
103.05385	0.6
105.06972	4.5
107.04918	0.5
107.08533	5.8
109.02821	1.7
109.06477	4.8
116.07062	1.6
117.06949	3.0
119.04873	0.7
119.08533	8.5
120.08067	7.6
121.06444	2.2
121.10099	20.4
123.07944	0.4
127.03874	5.5
127.07519	5.4
130.07716	2.4
130.08553	0.3
132.10181	0.5
135.08025	2.0
135.11690	2.5
143.08585	0.5
145.04968	2.3
145.10106	29.9
151.03871	1.4
163.11150	100.0
164.11485	0.7
175.03824	0.4
181.04910	0.7
187.06052	0.3
201.12306	1.5
211.38141	0.4
213.12308	2.7
217.13528	1.1
229.11780	0.8
245.12819	1.5
247.12799	0.6
264.03070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	13.5
55.05442	12.8
57.03363	15.1
57.07007	11.0
61.02844	3.8
62.60641	2.1
67.05426	10.4
69.03004	3.7
69.03352	50.1
69.06984	5.0
70.06512	26.2
71.08539	6.3
71.99249	2.4
72.08070	94.5
73.02810	5.5
73.50292	2.2
78.13534	2.5
80.91640	2.1
81.03330	2.9
81.06970	11.5
83.01266	3.2
85.02340	5.1
85.02826	100.0
85.31361	2.4
88.07522	5.5
91.05412	4.8
93.06963	5.2
95.04882	4.6
95.08528	14.0
97.02829	40.7
98.05981	29.0
99.04389	6.4
101.02300	4.3
105.03354	5.6
109.06458	13.7
109.10077	4.0
115.03889	2.9
116.76277	2.8
127.03854	53.1
133.06430	19.7
140.10721	3.3
145.04927	27.7
149.05943	6.0
151.14912	2.6
153.22115	2.7
163.05948	5.3
165.12735	32.7
177.09122	6.4
182.39848	2.8
206.75438	2.6
208.16835	2.9
221.01602	3.0
233.02446	3.1
262.21643	4.8
316.97983	2.9
343.22293	4.8
360.28860	27.7
360.34424	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	360.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27795	0.5
53.87140	0.5
55.01798	1.2
55.05445	1.2
56.04978	0.7
56.82994	0.5
57.03352	1.2
57.06747	0.7
57.07011	17.5
58.06290	0.4
58.06535	6.3
60.26593	0.5
61.02847	0.7
62.98987	2.9
67.05418	3.1
69.03361	6.3
69.06975	2.6
71.08546	12.8
73.02841	0.6
75.02592	0.9
77.00526	5.2
81.06963	4.5
83.08532	2.9
85.02827	12.9
85.10114	8.0
87.02634	1.3
95.08546	5.4
95.09052	0.8
97.02795	3.6
97.10094	0.8
99.04353	0.6
101.02328	0.8
103.37733	0.6
104.05257	0.6
105.03673	73.7
109.02814	0.8
109.10120	2.9
118.13879	0.7
119.60293	0.6
122.06315	15.6
127.03870	7.7
145.04910	3.7
155.54628	0.6
163.05997	1.2
239.23624	1.3
242.06143	0.6
296.29422	100.0
297.29797	5.9
303.74033	0.8
345.47137	0.7
360.29138	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	360.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56770	0.3
53.26051	0.3
53.75932	0.3
55.05455	0.4
57.07012	8.6
67.05433	0.6
68.93859	0.3
69.06989	0.3
70.06506	0.5
70.42020	0.3
71.08549	4.5
79.05410	4.2
81.06969	1.4
83.08530	0.4
85.02843	0.4
85.10106	1.8
88.07562	0.7
91.05392	0.3
92.10352	0.4
95.04874	1.5
95.08509	1.6
97.10111	0.5
103.05403	2.9
105.06974	100.0
106.07351	0.4
106.08616	0.5
109.10096	0.4
122.09621	14.1
139.86441	0.4
172.71939	0.4
204.93927	0.4
314.23132	0.3
359.37036	3.4
360.32581	25.8
360.37289	2.3
361.32822	0.4
365.45160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	3.1
54.81603	1.1
55.00680	0.7
55.01811	9.3
55.01997	0.6
55.05462	1.7
55.56445	0.7
56.96510	3.4
57.03376	4.1
61.02856	1.6
67.05428	3.9
69.03349	18.7
69.81575	0.8
70.03675	1.9
70.06511	11.3
70.36024	0.8
71.04910	0.9
73.02851	1.8
73.06477	1.9
79.05409	13.2
81.03333	3.6
81.06995	4.1
84.04411	5.7
84.08082	4.1
85.02824	29.9
86.03152	7.5
86.09628	7.1
90.26397	0.8
91.05408	12.0
93.06976	21.7
95.04884	7.6
97.02834	9.8
98.03166	2.0
99.04393	3.4
101.02346	1.3
105.03369	4.0
107.04929	3.6
109.02822	1.8
109.06429	1.0
110.07118	1.9
111.04414	1.2
111.08056	1.2
117.06964	1.3
119.04928	1.3
119.08528	0.9
121.06459	29.6
123.08017	9.9
127.03875	17.2
128.04242	6.7
129.10197	0.9
133.06342	1.0
137.05962	1.5
139.07504	20.2
145.04948	6.0
146.05226	1.3
147.04427	1.9
149.05937	8.4
151.03923	3.4
163.06036	1.5
167.07004	100.0
168.07455	1.6
175.03926	0.9
199.09616	18.0
208.34259	0.9
259.11789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41375	4.2
55.01814	23.5
55.05443	22.9
56.04966	10.1
57.03387	5.2
66.34245	4.0
67.05424	32.2
69.03340	6.8
69.06982	11.2
70.06490	6.2
71.04890	5.8
76.55749	4.7
78.48046	5.1
79.05416	21.4
81.06960	25.4
83.08541	6.9
84.04423	9.3
85.02834	11.9
86.00571	33.5
90.05482	6.7
91.05404	9.1
93.06964	30.9
95.08534	25.0
97.01048	42.6
97.06470	6.2
99.04403	7.0
104.01623	12.5
105.06976	8.7
107.08544	20.4
109.10085	36.0
116.01647	24.9
119.08524	8.4
126.05476	25.6
127.03922	7.3
133.10161	5.4
135.08006	6.1
136.30281	4.8
137.09613	10.2
141.07253	5.6
151.05751	9.6
154.12265	10.3
158.02713	19.4
166.12254	8.0
186.14923	9.1
198.14748	8.4
212.11029	34.6
244.13678	22.5
258.16959	22.1
329.15366	4.9
336.71191	5.1
344.15091	20.1
361.17896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	0.5
63.91725	0.3
67.05408	0.5
69.06980	1.5
79.05402	0.7
81.06965	1.9
83.08537	0.5
85.02858	0.4
86.04070	0.3
91.05400	0.5
93.06957	0.7
94.47739	0.3
95.08538	1.8
97.02769	0.3
97.06456	0.4
103.05423	0.4
105.06985	0.4
109.10091	0.6
115.05363	0.5
116.07829	0.4
117.06936	0.4
118.06502	4.9
123.08028	0.4
130.06494	100.0
131.06812	0.8
132.07263	0.3
132.08090	3.6
142.06500	1.3
144.08084	3.5
146.05986	17.5
151.68648	0.3
157.07585	4.7
159.09138	7.2
170.05997	3.6
185.07051	7.0
187.08638	0.5
188.07025	21.6
205.09689	5.5
271.12344	1.6
279.17184	0.3
316.14380	0.5
344.13861	0.7
354.46759	0.4
362.14645	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00233	2.5
53.03889	3.3
55.01808	14.3
55.05225	2.9
55.05455	53.8
55.27709	2.2
55.36418	2.0
57.03373	60.4
57.07003	3.3
67.05433	92.9
69.03352	18.1
69.06651	4.4
69.06992	83.3
71.01267	3.4
71.04913	51.2
79.05416	81.4
81.03333	30.9
81.06979	100.0
83.04906	45.4
83.08544	22.7
85.02819	13.4
85.06469	15.9
91.05416	45.9
93.06443	3.9
93.06986	88.1
95.04893	32.1
95.08541	44.0
97.02819	4.5
97.06465	54.9
97.10095	18.5
99.08035	31.0
105.06985	45.6
107.04897	15.3
107.08540	52.3
109.02857	4.7
109.06468	27.0
109.10105	27.2
111.08038	6.3
113.05965	15.3
115.07540	5.2
117.06973	22.0
119.08520	38.3
121.06455	15.5
121.10098	18.4
123.08053	23.4
123.11656	3.1
125.09578	14.5
127.03876	11.3
127.07527	12.1
129.06970	9.7
131.08539	28.1
133.06477	5.6
133.10103	17.8
135.08044	18.9
135.11674	12.0
137.09598	13.2
143.08553	5.4
145.10104	21.2
147.08038	12.4
147.11697	5.4
149.09589	5.8
149.13249	5.4
152.98451	2.5
155.08511	3.1
155.10568	3.7
157.10144	6.2
159.08101	3.5
159.11708	11.7
161.09605	10.5
163.11179	5.8
165.08986	2.9
168.62617	3.1
171.11635	4.6
173.11806	4.5
173.13260	11.6
175.11180	3.5
176.22353	2.5
177.12756	4.5
185.13191	2.8
187.11211	3.8
189.11156	3.6
189.12785	3.1
195.13797	10.1
199.14769	3.5
206.85234	3.1
217.15930	3.7
221.15347	6.6
223.13174	5.4
240.19946	2.9
245.18895	4.1
247.59460	2.6
251.16367	22.3
263.20148	3.9
273.18411	27.8
273.21191	2.8
291.19498	76.2
297.16476	2.9
309.20520	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31455	1.5
53.00248	2.1
53.03878	8.1
55.01804	9.9
55.05456	53.9
57.03102	1.5
57.03373	33.7
57.06995	1.5
59.04938	2.7
60.96386	1.8
65.03860	1.6
67.05431	89.1
69.03333	10.0
69.06992	100.0
71.04917	17.6
73.06474	2.2
79.04961	2.4
79.05409	60.0
79.48868	1.7
81.03342	25.8
81.06978	53.7
83.04901	70.6
83.08542	23.3
85.02843	5.8
85.06474	10.2
89.81077	1.4
91.04838	1.7
91.05405	42.5
92.10944	1.6
93.06978	57.3
95.04904	24.9
95.08536	37.0
97.02825	2.4
97.06464	31.0
97.10107	27.5
98.97500	1.8
99.08020	9.0
105.06979	25.1
107.04921	11.9
107.08540	34.2
109.02839	2.0
109.06465	17.8
109.10105	37.3
111.04397	1.9
111.08018	8.0
113.05973	6.8
116.98578	1.5
117.06962	10.9
119.08543	23.3
121.02736	1.6
121.06429	6.8
121.10091	22.6
123.08010	12.0
125.05934	1.9
125.09610	19.4
129.06960	3.2
131.08537	18.0
133.06386	2.2
133.10081	8.4
134.99590	1.6
135.08037	13.5
135.11629	8.3
137.09602	23.4
138.33253	1.4
143.08519	3.9
145.10098	10.2
147.08028	3.3
147.11639	3.9
149.09564	3.4
153.08980	2.7
155.10571	6.5
157.10106	2.7
159.07959	1.8
159.11670	9.5
161.09601	7.0
163.11157	2.5
169.10165	1.7
171.11632	2.4
173.11688	13.3
173.13094	2.7
177.00645	2.1
177.12627	2.1
189.11171	10.0
190.16615	1.7
195.13773	3.5
201.00737	2.0
213.14708	3.1
216.11923	1.8
217.15823	1.8
219.01778	1.7
221.15302	6.1
223.13350	15.9
233.15225	3.8
242.28549	1.5
251.16362	8.3
255.17349	2.1
261.02643	1.9
273.18509	15.3
291.19467	38.2
309.20612	15.1
370.93881	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	36.8
56.42889	5.6
57.06986	7.5
59.04926	5.3
60.70861	5.8
61.38163	5.2
67.05428	80.8
69.06991	11.8
71.04908	41.0
71.08540	11.7
79.05412	9.9
81.06989	63.8
83.04926	5.4
83.08543	14.6
85.78752	5.2
93.06980	33.9
95.08545	25.8
97.10054	11.1
101.17785	5.7
105.06982	7.7
107.08533	7.5
109.10117	100.0
111.08054	7.4
119.08550	6.8
125.09606	10.5
155.14267	9.9
169.32838	5.7
173.11682	53.0
187.13245	10.6
203.12831	6.8
218.45590	5.7
277.21713	7.0
309.24139	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	362.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35474	4.9
52.72281	4.8
55.05433	7.9
56.29277	5.1
57.07014	64.5
67.05421	11.6
68.21274	4.3
69.06980	19.5
71.08532	7.7
72.08067	6.5
74.09631	58.3
76.57626	5.8
79.71708	5.3
80.02237	6.7
81.06978	12.8
91.05427	11.7
93.06955	11.2
95.04892	12.7
95.08525	10.0
107.08507	9.5
109.06478	28.8
109.10109	8.2
132.61665	5.5
145.10110	6.0
165.12737	100.0
215.22783	6.2
264.23312	7.9
289.21487	6.9
362.30490	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	5.1
57.07027	0.8
63.48170	0.7
64.95850	0.8
69.06983	1.7
70.06505	4.5
71.08552	4.9
72.08070	100.0
81.06997	1.4
87.13792	0.8
93.06969	1.0
95.08537	1.6
98.05982	12.4
99.08012	1.1
105.06908	1.0
107.08568	0.9
109.06473	1.3
109.10123	0.8
110.57201	0.9
126.09124	1.1
140.10684	1.6
154.12085	0.8
165.12718	1.8
171.42261	0.9
207.76070	0.8
209.51320	0.9
238.18042	1.2
256.40268	0.9
264.23145	7.2
291.23105	1.0
304.29858	0.8
362.25903	1.2
362.30460	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81365	0.6
55.05442	0.8
56.04955	0.5
56.75254	0.5
57.07010	13.4
58.06524	1.0
60.81407	0.4
61.27645	0.6
67.05413	3.2
69.06983	0.8
70.06145	0.9
70.06511	25.6
70.06889	1.2
71.08546	4.5
81.06989	1.0
84.08054	2.8
86.06002	0.7
86.09623	1.1
86.28161	0.6
88.07553	25.9
93.06924	0.6
97.10089	0.8
102.09140	4.2
109.10101	3.2
111.98810	0.7
114.09123	13.6
118.08599	2.4
130.08601	1.1
132.10173	46.3
132.65053	0.7
162.11163	0.9
167.46121	0.6
173.11685	1.4
176.12804	6.7
183.30753	0.6
187.13234	0.9
194.13841	9.3
238.13107	0.7
242.24796	1.3
255.29893	0.7
256.26266	9.3
274.24774	0.7
274.27310	5.4
310.57440	0.6
318.29941	4.0
333.43292	0.7
362.32565	100.0
363.32877	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	362.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04962	10.8
57.07011	16.7
58.06524	10.5
60.04451	2.1
66.15933	1.4
67.05417	3.4
69.06976	1.7
70.06509	2.6
71.08552	3.8
72.08067	4.1
74.05983	8.6
81.06970	3.9
85.02836	2.1
85.10089	2.1
86.05983	9.2
88.07556	79.8
95.08508	3.1
104.07044	8.6
104.60744	1.6
109.75051	1.6
111.35027	1.6
132.10167	20.3
166.10683	1.8
178.30391	2.1
243.02480	2.0
266.35962	1.8
270.27902	52.1
314.30481	18.2
320.92755	1.8
343.82700	2.2
346.88522	2.0
362.27872	3.1
362.32578	100.0
363.19278	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83780	0.6
54.81283	0.6
56.57926	0.6
57.07010	13.6
58.06521	3.3
70.06508	35.7
71.08549	4.6
72.08059	2.8
84.08053	3.9
85.10098	1.1
86.09615	5.2
88.07554	13.3
89.05941	0.6
101.23000	0.7
102.09098	6.2
111.68082	0.7
132.10159	13.3
146.11740	12.2
177.41132	0.8
212.23741	3.6
238.25198	1.2
256.26306	20.5
256.28735	0.7
300.28894	58.7
301.29190	1.4
344.31775	0.9
362.32556	100.0
363.33002	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	363.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18159	0.5
55.01810	0.7
55.05439	1.4
56.96481	1.0
57.03375	0.9
60.04431	0.8
60.29687	0.5
63.89590	0.5
65.03850	1.2
67.05417	4.5
68.04948	1.4
69.03349	6.4
69.06993	9.7
70.06491	1.5
71.06818	0.6
79.05389	1.7
80.04921	1.0
81.03321	1.4
81.06956	1.0
83.04901	0.8
84.04433	0.7
84.08065	1.4
85.02825	1.2
86.09595	0.8
89.03817	0.9
91.05407	1.3
93.06952	0.8
93.32872	0.6
94.05911	1.2
94.06488	27.9
95.04877	4.0
95.08491	1.0
97.02802	1.5
97.06441	1.0
98.97498	4.0
109.06467	1.1
110.05973	3.3
112.07526	4.7
116.04932	5.1
116.98564	4.6
118.06518	0.7
119.90268	0.7
120.04409	1.5
120.08069	0.9
122.05981	60.6
123.04334	0.9
123.06279	0.9
134.05916	1.0
134.99622	1.2
137.92143	0.8
140.07037	51.5
143.00066	0.7
144.04420	13.9
144.16374	0.7
146.05991	15.5
148.03899	6.9
149.04579	0.6
150.05452	2.5
151.03883	1.1
161.01170	0.8
162.05452	22.6
166.04932	1.6
172.03899	81.0
174.05423	5.9
177.00645	0.7
190.04932	5.3
201.00780	1.1
204.06525	100.0
205.06924	4.4
206.08093	21.7
206.09981	0.8
207.08194	0.6
209.15164	0.7
216.43526	0.8
219.01759	1.5
244.09624	5.4
271.10837	2.4
272.09201	0.8
289.11713	4.5
307.12650	4.5
314.19931	0.6
328.12143	0.7
331.12823	7.4
345.14407	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	363.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51978	0.5
54.24623	0.5
55.01805	0.8
55.05456	0.9
62.41654	0.5
65.03862	1.0
67.05437	5.4
68.04943	0.7
69.03352	1.0
69.06992	8.1
70.06506	1.4
72.07631	0.5
72.08069	2.9
79.05418	2.3
80.04926	1.5
81.03332	0.7
81.06979	1.3
84.08055	2.3
86.09616	1.2
88.03919	0.8
89.03826	0.9
91.05411	1.3
93.06954	1.1
94.06498	26.1
95.04885	4.3
95.08553	0.6
96.04396	1.0
97.06454	0.9
105.03325	1.1
105.06949	1.1
108.08052	0.8
110.05973	2.9
111.78727	0.8
112.02113	1.4
112.07559	4.4
116.04903	6.7
118.06482	0.6
119.08542	1.0
120.04429	0.8
122.05988	54.6
123.04387	1.4
123.08006	0.9
131.08615	0.7
137.09576	0.9
140.01645	1.2
140.07040	43.5
141.07857	0.7
144.04431	15.9
145.04903	0.8
146.05971	15.2
148.03938	4.8
150.05547	0.6
162.05469	14.5
166.05005	1.0
172.03900	82.7
173.04295	1.0
174.05476	6.3
178.08548	0.9
186.02145	1.4
190.04980	5.9
204.06535	100.0
205.06966	4.1
206.08089	20.7
244.09549	4.3
271.10724	1.0
289.11789	3.1
300.12210	1.1
307.12827	3.5
313.11789	1.3
331.12695	5.3
345.14398	14.0
363.15375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	13.5
55.01787	1.3
55.05440	1.9
55.98721	1.3
56.96515	1.7
57.03375	3.0
61.02856	2.0
69.03349	38.2
70.06500	5.8
71.04903	12.6
79.05396	2.2
81.03336	49.9
81.06985	2.5
82.06463	1.2
84.08094	1.4
85.02827	88.7
85.06446	1.8
86.09618	5.6
86.27362	1.5
91.05416	1.6
97.02832	7.5
97.06459	1.3
99.04380	60.0
101.22630	1.3
103.03874	94.9
107.08533	2.6
109.02145	2.7
109.02828	37.3
112.02151	3.2
114.31870	1.4
119.08585	1.6
122.05975	2.2
127.03880	100.0
135.08003	1.8
140.01593	1.9
145.04968	11.3
145.10049	1.8
158.02686	2.0
163.06015	1.9
172.03896	2.2
187.06032	6.3
204.06570	3.4
253.10091	1.7
255.08888	2.2
271.07956	2.8
358.98962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	9.7
55.05450	26.9
57.03379	29.9
67.05437	34.9
69.03341	6.6
69.06988	21.6
71.04918	25.4
72.73798	1.3
78.45860	1.7
79.05416	36.7
80.05760	1.7
81.03343	17.6
81.06976	49.3
83.04908	12.2
83.08532	9.6
85.02808	3.7
85.06464	8.2
87.91070	1.7
87.93405	1.5
89.00514	1.5
91.05415	26.8
92.10237	2.8
93.06541	1.5
93.06989	30.9
95.04902	99.2
95.08536	28.2
97.06479	16.8
97.10087	10.8
99.08030	13.1
105.06974	21.2
107.04919	20.0
107.08539	20.9
109.06472	63.3
109.10100	10.1
111.04371	2.6
113.05975	2.9
117.06984	14.2
119.04937	2.0
119.08556	14.7
121.06459	14.0
121.10099	21.9
123.08037	52.2
123.11501	1.6
124.56203	1.9
125.09593	7.6
127.07440	2.9
129.06978	3.2
131.08546	21.3
133.06427	3.9
133.10094	9.2
135.08017	10.5
135.11642	7.2
137.09586	7.0
139.11140	2.5
143.08499	6.7
144.43855	1.6
145.10100	9.7
147.08026	3.1
147.11656	2.9
149.09634	11.3
149.13228	3.4
153.09174	2.1
153.12700	2.3
155.08551	1.6
157.10165	2.8
159.11699	9.1
161.09616	3.7
163.11246	6.0
169.10226	1.9
171.11693	2.2
173.13202	3.5
175.11078	1.6
177.12717	3.2
183.11711	2.6
189.11163	2.7
191.14215	1.7
201.12685	3.4
205.12239	1.7
219.13718	6.8
221.15353	7.8
223.13278	2.8
237.14745	19.3
251.16316	2.8
255.17418	1.8
273.18323	14.1
291.19498	100.0
292.19757	3.0
309.20486	4.0
327.21606	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	363.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	1.9
53.03874	2.4
54.89444	1.1
55.01809	8.2
55.05457	20.2
56.96508	3.2
57.03371	41.1
57.07007	1.5
62.20330	1.5
67.05074	2.4
67.05422	49.3
69.03349	9.2
69.06985	100.0
70.07305	1.7
71.04906	48.5
73.02826	1.9
79.05405	45.8
81.03337	25.8
81.06506	2.7
81.06973	63.9
82.07301	2.3
83.04888	7.6
83.08530	10.5
85.02848	2.4
85.06468	10.4
87.00796	1.5
91.05402	31.2
92.05746	2.8
92.63401	1.4
93.06965	44.3
94.07278	1.6
95.04893	22.0
95.08533	29.2
97.02878	1.9
97.06459	45.6
97.10083	3.5
99.08018	29.5
105.06972	32.4
107.04892	10.2
107.08529	25.6
109.06476	18.4
109.10092	10.8
111.08026	3.3
113.05917	6.1
115.07511	39.1
116.98548	3.7
117.06963	17.6
118.06491	3.1
119.01789	2.1
119.08533	21.7
121.06454	12.4
121.10117	17.5
123.08013	11.2
123.11623	3.0
125.05962	2.0
127.07520	3.3
128.06166	1.6
129.06955	7.0
131.08537	24.2
133.06436	2.4
133.10069	9.8
134.10361	1.5
134.99628	2.3
135.08026	10.7
135.11655	7.8
137.05913	2.0
137.09560	6.3
139.07545	1.5
141.06973	1.9
143.08495	6.2
145.10071	12.9
146.06024	10.7
147.08073	7.6
147.11716	12.6
149.09604	9.2
149.13249	6.1
155.08522	2.4
157.10094	8.4
159.11658	8.1
161.09584	2.9
161.13123	1.6
162.09746	1.5
163.11189	2.3
171.11598	3.5
173.13200	2.7
175.11160	3.2
177.00676	3.0
177.12715	3.2
183.11743	1.6
187.14799	2.9
195.13716	3.4
213.14882	2.2
215.14394	2.0
217.15811	6.2
219.13658	2.4
225.76744	1.5
233.15300	14.0
235.16817	2.4
241.28754	1.5
248.99274	1.7
251.16313	24.2
255.17374	2.1
263.20081	2.8
271.05930	9.9
271.16312	1.5
273.18353	17.7
279.10135	1.5
291.19476	47.8
309.20483	12.3
316.07925	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2375
Annotation	bhos#20
Peak:m/z	Relative Intensity
53.03896	3.5
55.01807	16.1
55.05453	48.3
57.03369	72.6
57.06996	2.7
58.75482	2.4
67.05427	100.0
67.20349	2.6
69.03345	11.8
69.06982	27.0
69.46880	2.5
71.04901	37.4
71.08531	4.6
73.82709	3.1
76.02132	17.8
76.57352	2.6
79.05404	56.1
81.03342	21.1
81.06975	65.4
83.01980	2.7
83.04899	59.5
83.08548	28.7
85.06469	13.5
90.05514	4.4
91.05401	33.6
93.06971	48.2
95.04903	34.2
95.08527	56.5
97.06464	49.8
97.10114	17.1
99.08012	16.8
105.06966	21.1
107.04890	17.4
107.08542	42.8
109.06465	18.9
109.10097	34.0
111.08039	12.1
113.05945	4.0
114.00059	3.4
116.01615	5.4
117.06962	7.0
119.08538	23.5
121.06473	6.2
121.10103	18.1
123.08046	25.7
125.09585	6.1
126.05476	3.6
131.08546	14.8
133.06419	3.6
133.10078	12.3
135.07979	20.8
137.09593	12.4
137.22972	3.2
145.10162	4.1
147.11629	4.2
149.09648	4.1
149.13147	3.6
151.03952	6.3
153.09128	4.1
155.08624	3.4
155.10623	28.3
157.10124	4.5
158.02689	13.8
159.11647	6.6
177.12779	4.8
189.11214	6.3
193.06264	4.4
195.13741	5.7
202.30014	3.3
210.09538	3.6
217.15814	5.3
221.15323	21.2
228.10555	4.3
233.15302	4.5
251.16391	4.6
273.18430	17.3
291.19479	46.8
309.20508	12.2
327.38800	3.2
345.14786	19.0
386.37845	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	363.31
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39783	1.2
51.79416	1.4
52.07311	1.5
54.82079	1.7
55.05462	2.1
57.07014	64.8
57.98455	1.5
59.11131	1.3
69.06979	1.8
71.08549	38.5
73.06476	2.1
76.34343	1.4
83.08539	1.8
85.10101	14.7
89.05958	100.0
100.69126	1.6
107.07016	8.9
133.08578	21.6
151.09628	2.9
169.19356	2.2
177.11240	8.4
194.39297	1.6
195.12225	13.6
231.79868	1.4
291.27628	1.8
363.30847	9.7
379.93265	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66911	0.4
56.04968	0.7
69.03323	0.4
70.06509	18.7
81.04464	2.2
83.06021	3.6
84.04424	21.5
84.08062	0.7
85.02832	1.0
86.05962	0.6
86.09609	1.1
93.04455	3.2
95.06020	2.4
102.05461	0.9
104.39492	0.5
107.04891	2.5
109.03951	0.6
110.07113	100.0
114.05537	0.6
116.07037	12.5
138.06606	0.6
148.08667	7.3
149.05925	1.2
156.07686	0.9
166.06067	4.5
176.08156	54.4
185.04181	1.1
203.05298	4.3
204.07637	8.1
221.10289	47.5
249.07162	1.1
249.09775	34.6
267.10764	4.0
291.29083	0.6
364.16058	19.5
365.10532	5.9
371.05365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18176	0.8
53.03894	1.7
54.81729	1.0
55.05444	1.8
56.96509	10.5
57.03365	1.9
57.07007	1.0
59.04936	2.1
60.04461	0.9
62.30220	0.8
65.02722	0.9
65.03862	4.0
67.05428	5.2
69.03341	5.4
69.06993	1.2
70.06503	1.8
78.04622	1.8
79.05408	16.0
81.03325	4.1
81.06973	32.0
84.95983	2.0
85.02855	9.2
85.40234	0.9
89.03831	16.9
91.05406	25.5
92.10172	1.0
93.06972	91.3
94.07341	1.0
95.04895	6.4
95.08530	15.0
97.02824	3.9
97.06471	5.4
98.97517	5.4
99.04330	1.1
103.05411	1.0
105.06978	12.7
107.04866	1.6
107.08546	11.1
109.02827	1.4
109.06474	1.9
110.97558	1.3
116.98563	4.8
117.03332	27.6
119.04904	13.9
119.08555	1.3
120.08067	1.1
121.06465	2.0
121.10101	100.0
122.10435	2.2
123.08002	2.3
123.11639	18.4
125.05978	9.4
128.98547	4.3
131.08530	4.9
134.99625	5.7
135.04395	2.0
135.08012	2.2
136.06145	10.4
138.03142	1.2
139.11172	13.4
143.00241	1.1
145.02831	42.2
146.99655	7.6
147.04347	10.9
149.05934	7.3
149.09604	20.1
151.03859	6.9
153.00760	1.3
157.03937	1.4
167.10643	34.7
171.06514	1.1
175.03893	17.3
177.05437	45.6
181.04933	19.1
181.98808	1.2
184.00415	2.2
185.01213	1.5
202.01361	1.3
207.06511	13.0
214.01552	1.3
215.02356	1.6
239.27785	1.0
243.01736	5.7
246.00519	1.5
255.01833	1.8
261.02750	18.3
269.03320	1.6
273.02661	7.9
276.01370	1.7
291.03821	28.8
297.02472	1.1
309.04797	1.1
364.19482	1.1
365.10416	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3208
Annotation	Terminaline
Peak:m/z	Relative Intensity
51.38495	0.6
53.00254	0.7
54.81465	0.7
55.01802	1.1
55.05455	12.9
55.64983	0.7
57.07016	58.7
57.46966	0.6
59.88080	0.6
67.05429	10.4
69.06994	13.4
71.04906	1.4
71.08548	20.4
74.09631	100.0
79.05018	0.8
79.05397	6.8
81.06972	16.4
83.04889	1.1
83.08530	5.1
85.06513	0.8
89.05449	1.4
89.05955	23.3
91.05428	4.5
93.06976	12.5
95.04898	3.4
95.08539	15.1
97.06474	4.5
97.10122	1.5
99.08022	5.7
100.07535	0.8
105.06974	4.9
107.08531	8.7
109.06478	10.9
109.10103	5.8
111.08038	1.0
119.08533	3.8
121.10118	3.4
123.08006	1.7
129.11305	0.9
133.10072	1.5
135.11673	1.5
138.12692	1.0
141.02203	0.8
142.12251	1.6
147.11667	1.3
148.28940	0.8
149.13281	1.1
151.09648	14.3
156.13803	1.6
161.13219	1.9
165.12756	11.2
170.15367	1.5
175.14809	1.6
184.13330	1.5
198.18434	1.1
210.18547	1.2
235.17043	1.1
259.34906	0.9
266.24753	11.8
291.23099	13.4
299.41467	0.8
346.31091	1.1
364.32056	63.9
365.32434	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Sucrose
Peak:m/z	Relative Intensity
51.23624	0.9
62.33342	0.8
65.98764	0.8
115.91589	1.0
119.01814	1.1
185.04211	19.1
195.48198	1.2
203.05240	63.4
365.10477	100.0
366.10645	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	365.1593
Annotation	Gibberellin A50
Peak:m/z	Relative Intensity
53.57080	1.3
54.43209	1.5
55.01805	1.7
55.05438	2.8
56.21684	1.6
67.05414	3.3
69.03326	3.6
69.06969	3.2
70.44847	1.4
79.05402	6.3
81.06963	8.7
82.97541	1.6
85.02831	8.6
91.05399	7.5
92.11007	3.4
93.06967	10.6
95.08546	2.3
97.02791	2.0
97.06496	1.9
105.06973	3.6
107.08551	2.6
113.61070	1.5
117.06955	3.3
119.08566	3.1
128.06143	3.5
129.06955	28.2
131.08504	10.7
141.06966	6.6
142.07773	2.5
143.04887	3.6
143.08551	41.4
145.02808	2.0
145.06425	2.1
145.10150	6.2
147.08018	2.3
153.06987	6.4
154.07741	1.9
155.08502	16.7
156.09306	1.7
157.06424	20.8
157.10072	27.2
159.07986	2.5
161.09579	3.1
166.07735	2.3
167.08530	12.4
168.09294	2.8
169.06473	3.7
169.10091	9.2
171.08018	20.0
171.11673	17.8
173.09639	13.7
173.60143	1.6
175.07474	7.1
181.06395	2.9
181.10086	30.9
183.08026	9.6
183.11626	13.1
185.05966	7.8
185.09567	9.0
185.13248	26.3
187.07535	2.1
189.09021	2.7
194.07195	2.1
195.08044	2.9
196.14247	1.6
197.09561	2.2
199.07500	35.3
199.11150	40.6
199.14803	11.6
201.09061	38.8
201.12711	6.7
209.09610	14.8
209.13231	10.2
211.11125	8.2
213.09009	7.7
217.12134	9.5
227.10649	56.2
227.14139	28.2
229.12112	22.2
237.12648	1.7
239.14380	2.1
245.07970	2.9
245.11667	100.0
247.13210	1.8
255.10075	1.7
255.11205	1.9
255.13708	27.8
273.11154	41.7
273.14771	85.1
275.15936	2.4
283.13123	3.3
291.12201	88.1
301.14319	56.2
319.15384	39.8
329.13538	2.3
347.14838	19.0
365.11014	3.8
365.15598	28.7
365.18976	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	365.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00233	0.5
55.05442	1.0
57.07010	17.4
58.26701	0.5
65.89526	0.4
67.05417	2.4
69.06977	1.1
71.26362	0.4
78.09310	0.5
78.46761	0.5
79.05406	1.0
80.38683	0.4
81.06959	3.7
83.08512	0.9
85.06464	7.8
91.05408	1.0
93.06958	0.8
94.24210	0.5
95.04914	0.6
95.08510	3.0
105.06926	0.7
107.08511	2.7
109.06459	19.3
109.10081	0.9
119.08524	1.0
121.10066	0.8
123.08021	3.6
133.10080	0.8
137.05934	2.4
151.06444	0.8
151.07529	11.5
193.12123	1.1
194.13004	0.7
203.37292	0.5
247.08519	0.6
263.19986	100.0
264.20261	3.5
281.20993	0.6
365.10553	0.6
365.26810	2.3
388.41019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2684
Annotation	16,16-dimethyl-PGE1
Peak:m/z	Relative Intensity
52.76630	1.0
53.11839	0.9
55.05450	4.0
57.07007	6.3
58.20335	0.9
60.80741	0.9
65.02484	0.9
67.05424	4.4
67.88689	0.9
69.06974	2.5
70.43082	1.0
79.05439	1.7
81.06960	4.1
83.08508	1.0
91.05418	1.4
93.06971	2.3
94.85603	1.2
95.04868	1.2
95.08532	5.5
105.06992	1.7
107.08548	4.2
109.06433	4.4
111.04409	1.3
117.03532	1.0
121.10140	1.2
123.08026	10.8
123.76368	1.2
124.08804	2.0
135.08067	3.7
137.06017	1.6
137.09570	1.1
151.07532	5.3
152.08319	7.1
165.09105	11.1
179.14326	2.0
185.19939	1.1
194.02890	1.1
194.13020	4.0
203.05243	1.3
221.15276	1.3
319.26257	1.8
347.25754	23.7
351.82794	1.2
365.26813	100.0
366.27441	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92096	0.8
55.01804	1.5
55.05450	1.1
56.04963	4.7
58.70177	0.8
60.04439	1.1
67.05428	1.5
68.04942	4.0
69.06974	1.6
69.18595	0.9
70.06506	23.7
71.04903	1.2
77.58181	0.8
81.06968	4.5
83.06016	4.9
84.04428	58.3
84.04932	2.1
84.08072	14.5
85.02839	4.1
85.08374	1.0
86.05989	1.2
86.09632	9.6
88.03917	1.5
90.05471	1.7
91.05399	6.2
93.06962	1.5
94.06496	25.1
95.04900	2.0
95.08472	1.0
96.04424	2.3
97.02799	1.2
97.06444	1.5
98.05978	1.2
99.00728	3.9
99.04352	1.0
102.05481	1.7
103.05422	2.2
104.04933	4.8
105.06993	1.8
107.04865	1.3
107.08542	4.1
108.08923	0.9
109.02787	0.9
109.10084	1.1
110.05949	1.7
110.07121	5.3
112.40625	1.1
114.05484	1.9
115.08578	1.1
118.06490	20.8
119.04871	1.7
119.07306	1.3
120.04424	10.8
120.05158	1.5
120.08060	15.9
121.06475	1.4
121.10109	5.2
122.05983	1.6
125.07072	1.1
126.05469	1.1
127.03844	1.5
127.23169	1.0
129.06577	1.7
129.10207	1.3
130.04979	7.7
130.06488	7.9
131.08598	1.8
132.04424	9.3
136.07552	41.8
142.04950	2.2
146.05991	100.0
147.04420	6.8
148.03867	16.4
148.04805	1.7
150.05531	6.8
150.06558	1.2
156.04474	1.7
157.07570	1.5
157.13351	1.5
158.05930	7.9
164.07007	5.4
166.08604	2.0
170.04399	1.2
173.07207	1.1
174.05464	41.2
186.09166	3.9
190.04955	1.7
191.08168	5.4
192.06538	16.1
202.04976	10.3
202.06606	1.4
209.09044	1.3
214.00790	1.0
220.05977	10.0
232.09727	1.8
237.08641	19.1
366.12750	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	366.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50051	0.3
51.74837	0.3
54.25372	0.4
55.05439	0.7
56.04964	2.4
56.96498	0.7
60.05575	1.1
61.02876	0.4
62.05994	0.5
63.07565	0.5
65.59433	0.4
67.05417	0.4
67.66278	0.5
69.03339	0.8
69.06978	0.9
70.06506	7.4
71.04900	0.5
72.08065	2.3
73.03414	0.4
79.05397	1.0
81.03334	1.0
81.04404	0.5
81.06969	0.8
82.06486	0.5
84.04426	27.6
84.08055	3.4
85.02837	4.5
85.06493	0.4
86.09630	2.5
88.03864	0.5
88.97324	0.4
90.05475	11.8
91.05402	2.0
91.07429	0.4
93.06969	2.2
95.04890	0.5
97.02840	0.8
98.97500	0.8
102.05488	2.3
103.05408	6.1
107.04887	2.0
107.08546	0.6
109.02848	0.7
110.05977	1.0
110.07099	2.6
112.08698	0.4
115.08723	0.5
116.07083	0.5
118.82993	0.4
120.08056	100.0
121.08350	0.7
129.10234	0.6
130.04939	0.9
130.06480	1.0
131.04903	1.9
131.08513	0.6
136.07564	1.0
146.06030	1.7
155.08157	2.0
156.06544	1.0
160.74658	0.5
166.08586	11.2
168.08096	1.9
174.05486	0.6
184.07623	0.9
185.10764	3.2
186.09117	12.9
195.87500	0.6
201.08656	2.9
204.05614	0.5
231.11267	2.4
232.09773	1.0
237.12326	3.8
263.57904	0.6
277.11862	1.8
295.12585	0.5
302.14835	1.1
339.11127	0.9
348.15527	5.2
366.11026	1.9
366.16498	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	366.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	5.2
55.01635	0.5
55.01813	9.3
55.05444	3.3
56.96490	0.7
57.03377	8.9
60.04479	0.6
61.02854	8.4
67.05420	1.0
68.99692	3.2
69.03348	44.9
69.06982	0.8
71.04906	4.6
73.02831	8.2
81.03333	31.2
81.06955	1.8
83.01266	0.6
85.02824	100.0
87.00748	57.8
91.03872	1.0
91.05421	1.2
95.08546	1.4
95.62175	0.6
97.02228	1.3
97.02823	29.7
99.04374	12.0
101.02274	0.9
105.01806	42.3
108.04427	1.1
109.02827	26.2
109.03523	1.4
111.07986	2.8
115.03878	1.2
117.01808	3.7
117.03313	0.8
123.11621	0.7
127.03872	51.6
127.91228	0.7
129.01799	4.2
145.02895	1.0
145.04929	19.1
145.05968	1.2
147.02878	0.8
151.03934	1.7
159.02864	11.3
181.04919	4.5
189.03896	1.8
213.03966	0.9
231.04962	11.3
248.07582	1.0
249.06004	4.2
270.03748	0.9
295.11685	3.0
387.47198	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2999
Annotation	5(6)-EpETrE-EA
Peak:m/z	Relative Intensity
51.29345	0.2
55.05459	2.4
57.07013	0.3
67.05429	10.6
68.04932	0.4
69.03352	5.2
69.04482	0.2
69.06992	2.9
69.27058	0.2
70.70547	0.2
79.05403	2.8
81.06975	7.5
81.86034	0.2
83.08541	0.5
86.05986	100.0
87.04390	18.1
87.06356	0.3
91.05391	2.3
93.06972	1.9
94.39114	0.3
95.04922	0.4
95.08529	6.4
97.06465	0.3
97.10133	0.3
104.07037	13.7
105.06985	1.2
107.08564	1.0
109.10073	2.0
119.08542	0.5
121.10107	0.6
123.11696	0.6
133.10167	0.4
136.50687	0.2
147.11679	0.3
193.68631	0.3
200.01230	0.3
245.22791	0.3
250.99773	0.2
263.23743	0.3
366.29904	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	366.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90821	1.1
53.00248	2.0
53.03880	1.8
55.01804	1.8
55.05452	42.9
57.03359	1.6
57.07000	6.4
58.09578	1.2
60.08078	3.1
65.03871	4.6
66.69427	1.1
67.05425	100.0
69.06985	51.2
71.04901	2.5
71.07276	1.4
71.71918	1.2
73.02814	1.6
79.05404	22.7
79.21119	1.1
79.87033	1.4
81.06973	98.8
83.04914	2.2
83.08540	14.2
83.78158	1.3
85.06470	1.3
86.05971	8.6
86.09580	2.0
91.05395	8.4
92.10887	1.8
93.06956	20.1
95.08530	70.1
97.06496	1.3
97.10070	5.1
97.49444	1.3
99.04361	5.7
104.07039	2.2
105.06965	2.6
107.08522	9.8
109.06467	1.2
109.10109	22.8
119.08504	5.9
121.10071	4.8
123.11680	6.2
133.10077	2.5
135.11690	2.5
203.50783	1.3
235.20883	1.3
280.43173	1.2
307.26245	68.0
308.26694	2.1
366.33585	89.7
367.34070	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	367.15
Annotation	1-beta-D-glucopyranosyl-L-tryptophan
Peak:m/z	Relative Intensity
55.01817	3.1
55.68964	1.5
60.04455	1.5
61.02863	1.5
68.04940	1.8
69.03341	3.6
69.81927	1.6
70.06508	3.2
73.02832	1.9
74.00571	13.5
84.04429	26.6
85.02824	8.0
90.05448	1.8
91.05392	2.9
95.04888	1.9
97.02819	2.7
105.71895	1.6
118.06483	36.1
119.04931	1.6
120.04356	2.0
120.08018	14.8
121.08406	2.6
122.00894	6.7
122.95049	1.8
126.05473	21.1
127.03954	2.0
127.04993	9.4
129.06966	3.0
130.06482	27.2
132.08051	17.1
142.06458	2.1
143.07289	7.6
144.06549	10.2
144.08052	43.4
146.05983	100.0
147.04370	3.2
156.08064	24.4
159.09131	7.3
160.07567	1.9
168.08025	12.0
170.06006	13.6
172.05949	2.9
180.08044	2.2
183.09085	12.3
184.07571	3.8
186.09116	1.9
188.07031	68.0
191.04858	18.0
196.07542	2.4
202.08679	3.0
205.09747	14.0
218.06685	2.0
222.02647	2.3
229.09668	25.0
230.08008	2.0
239.05148	11.0
258.11218	3.7
276.12195	3.8
303.13232	2.5
331.12729	2.8
332.11246	11.3
349.13794	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	367.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	5.1
54.81173	0.9
55.01799	4.8
55.05451	22.5
56.04972	1.3
57.03362	8.9
59.39998	0.8
60.38957	0.8
60.40542	0.7
61.02840	5.0
62.02377	1.9
62.58904	0.7
67.05395	1.1
68.34315	0.7
68.99704	1.3
69.03346	28.7
69.06996	1.1
70.06514	17.9
71.04916	6.9
71.06832	0.7
72.08013	0.7
73.02818	3.4
81.03331	16.5
81.06938	1.1
82.75768	0.7
83.08536	39.4
84.04417	11.2
84.08066	9.4
85.02825	47.5
85.06409	1.1
86.09609	4.5
87.00756	10.0
87.04396	1.0
90.05464	1.1
91.05406	2.0
93.06960	1.0
94.06521	0.9
95.08518	1.0
96.04365	0.9
97.02815	13.1
97.94669	0.8
98.97475	1.3
99.03737	0.9
99.04375	21.2
101.02314	0.8
101.09589	16.0
102.05470	1.1
103.03875	34.8
103.05428	0.8
105.01792	7.3
107.08507	1.1
109.02825	9.4
109.10035	0.9
110.07115	5.6
116.04923	1.1
116.07049	6.4
116.98590	1.2
117.05438	1.7
118.06499	0.9
119.10629	1.6
120.08076	6.3
121.07650	0.8
125.09576	0.9
127.03873	35.9
129.10167	1.4
130.06487	1.1
136.07594	1.6
145.04922	11.6
146.05969	3.0
146.08339	1.8
147.09145	100.0
150.06453	0.9
153.08812	0.9
159.09177	1.5
160.09872	1.2
163.05986	6.4
169.04922	3.4
172.03871	1.6
173.10817	1.0
175.04990	4.3
181.04904	1.9
202.11038	1.2
217.09679	1.4
237.02666	1.1
243.01602	0.9
245.12675	4.8
261.02875	1.0
261.08710	1.6
263.13773	4.9
278.89865	0.8
281.14893	70.1
324.15454	4.2
331.28867	0.9
350.13428	18.0
367.09988	1.4
367.15744	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	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03868	0.6
55.05436	0.7
57.03372	3.7
58.92134	0.3
59.04932	0.6
61.02847	1.8
67.05431	3.9
69.03349	5.9
69.06986	0.5
70.06506	5.0
71.01280	0.7
71.04896	3.5
72.08074	0.5
72.19584	0.4
73.02823	1.5
75.04376	0.6
79.05434	0.4
81.03334	0.6
81.06960	0.7
83.53368	0.4
84.04419	0.7
84.08069	0.4
85.02807	1.5
86.09618	0.8
92.10172	0.4
99.04377	1.6
109.10123	3.1
117.05432	0.5
120.08059	3.1
123.11666	0.4
127.11162	0.4
132.06775	0.5
145.07590	0.4
145.12196	1.8
146.08389	0.6
147.09142	100.0
148.09511	0.8
155.80244	0.3
159.04445	0.4
159.09172	0.8
161.10612	0.4
163.13261	0.8
167.24796	0.4
189.10188	5.2
263.13794	0.5
281.14880	81.3
282.15140	0.8
307.12640	0.6
324.15466	5.3
350.13394	21.2
351.13699	0.5
367.15973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.188
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
56.96484	16.0
58.03417	8.6
58.69745	8.5
79.05363	9.9
88.31474	11.0
89.86373	9.7
90.18459	12.5
103.35949	9.9
103.99435	10.6
110.13538	9.5
116.77979	10.1
123.08130	11.6
279.12643	24.5
297.13666	50.7
367.18805	100.0
377.53073	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	367.188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96065	10.8
56.96492	84.3
67.05432	9.5
92.10281	38.9
277.11118	15.4
279.12622	71.6
282.19168	15.1
295.11929	19.0
297.13654	100.0
349.16736	24.4
367.18616	72.1
367.28842	15.3
378.50357	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	2.8
55.01798	3.9
55.05450	27.0
56.96516	22.6
56.96725	2.5
57.03376	36.7
57.07001	4.4
59.09103	2.6
63.24848	2.7
67.05179	2.5
67.05435	38.2
69.06982	31.0
70.06492	5.3
71.04878	7.0
71.56448	2.6
77.96240	3.0
79.05396	46.5
81.06973	47.4
83.08544	17.4
85.06457	6.5
86.09615	6.9
91.05410	40.6
93.06972	45.5
95.04882	4.6
95.08530	42.4
100.07528	5.4
100.11178	44.1
101.24896	3.3
105.03365	6.7
105.06988	41.6
107.04926	3.4
107.08524	26.2
109.06461	4.0
109.10098	4.9
111.04402	5.7
112.07545	5.7
117.06974	14.2
119.08526	29.6
121.10095	7.0
123.08135	3.4
128.07040	4.0
128.98618	3.2
129.06937	4.6
131.04901	3.8
131.08534	22.7
133.10109	13.5
141.11435	4.3
143.08469	4.8
145.10118	20.6
147.11652	7.7
150.94150	3.4
159.11604	12.6
161.13103	4.0
168.13814	28.6
173.13286	5.6
182.15343	13.5
185.13225	16.9
196.13312	15.8
199.06296	5.4
201.04214	3.7
203.14290	5.9
210.14833	3.6
217.07425	21.7
219.17442	6.4
229.07431	31.9
247.08482	65.5
261.10056	5.0
275.19879	14.7
316.19464	3.7
331.15546	3.5
349.16861	6.8
349.23587	7.3
367.17114	26.1
367.21466	100.0
367.28055	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	367.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45076	0.4
54.81323	0.6
55.05452	15.1
57.03368	1.9
57.07004	1.0
59.04924	1.1
60.04446	1.1
61.02858	0.5
67.05428	43.6
69.03355	2.1
69.06983	2.9
70.06495	0.8
71.04913	1.2
73.06470	0.9
74.39378	0.4
75.02627	0.4
78.52688	0.4
79.05415	2.9
81.03341	0.9
81.06976	100.0
81.36980	0.5
82.07334	0.7
83.08541	4.5
84.04420	4.4
85.02821	5.5
85.06470	1.1
91.05414	5.0
93.06985	0.7
95.08549	3.2
97.02850	0.8
97.10120	4.1
98.97525	1.0
105.06968	0.7
109.10080	0.8
116.98559	0.7
118.06512	0.9
119.04906	3.4
120.08067	5.2
123.11660	72.1
130.04979	4.3
131.08522	0.6
132.08057	0.8
134.99641	0.5
136.07558	5.9
139.49559	0.5
141.12720	51.7
142.13051	0.6
144.08020	0.5
146.05957	3.7
147.04369	5.7
151.11238	0.5
159.09167	0.6
166.08763	0.6
177.00607	0.6
185.92734	0.5
186.09140	3.0
187.13266	15.7
187.14908	0.7
188.07080	3.1
197.75655	0.5
203.97119	0.5
205.14436	1.0
223.06558	0.7
281.14545	0.5
283.08536	1.2
376.73895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2089
Annotation	6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05450	0.7
55.21375	0.6
55.27671	0.6
55.78700	0.6
60.10068	0.6
61.34225	0.6
65.30024	0.6
70.91618	0.6
73.60523	0.6
81.03364	0.8
81.36681	0.6
82.68503	0.6
83.08543	0.7
91.05359	1.0
93.06966	1.3
105.06949	1.0
107.08540	1.0
242.90904	0.8
245.15463	0.7
259.31943	0.8
367.20847	100.0
368.21002	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	367.209
Annotation	11-dehydro TXB2
Peak:m/z	Relative Intensity
51.26291	0.4
55.05460	0.4
56.96492	0.4
57.07021	0.4
58.17866	0.4
60.64084	0.4
61.59493	0.5
61.89806	0.4
64.33228	0.4
67.05431	1.1
69.06992	0.5
79.05421	0.8
80.27956	0.5
81.06968	2.6
81.48196	0.5
91.05424	0.9
93.06956	0.8
95.04902	0.6
95.08522	0.8
97.02812	0.6
105.06989	2.0
107.08521	0.6
108.51270	0.4
109.10091	0.7
160.80344	0.5
181.73779	0.5
367.20847	100.0
368.21030	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	8.8
55.01807	5.2
55.05450	20.8
56.96510	1.0
57.03373	51.9
59.04939	1.6
59.84346	0.9
61.02819	1.0
63.60352	0.9
65.03860	2.6
67.05425	73.6
69.03348	5.6
69.06981	20.6
71.04549	1.5
71.04907	25.5
73.79558	1.1
79.05405	70.7
81.03333	2.0
81.06971	100.0
83.04881	1.6
83.08537	5.9
85.02825	4.8
85.06467	4.6
86.55625	1.4
89.00300	1.2
89.05484	1.5
89.05946	13.5
91.05402	59.3
93.06969	74.7
95.04895	14.1
95.08527	68.3
97.02793	1.7
97.06453	7.4
97.10091	1.3
99.08015	1.9
105.04436	1.3
105.06969	47.4
107.08535	34.3
109.06456	11.5
109.10101	16.8
111.08028	1.6
117.06946	19.8
119.08527	31.5
121.06439	2.2
121.10093	19.1
123.08012	6.3
123.11668	1.8
128.06264	1.4
129.06946	7.9
130.07770	1.8
131.08525	25.4
133.10089	19.5
135.07979	1.2
135.11644	6.3
143.08542	9.4
145.10091	22.6
147.11705	10.5
149.09544	4.3
157.10101	5.0
159.11630	13.2
161.11977	1.0
161.13156	8.7
163.11189	4.6
163.14877	2.1
169.10141	1.5
171.11607	1.6
173.13232	2.3
175.14825	2.2
177.12802	1.9
177.16386	1.4
183.11705	1.6
185.13168	10.4
187.14725	9.7
199.14856	1.5
203.14282	6.4
205.15756	9.7
213.67047	1.3
219.17410	5.5
225.30040	1.1
229.19492	2.1
239.17961	1.2
257.18903	6.2
275.20007	13.8
277.17767	1.2
279.19504	21.8
349.23621	15.5
367.20718	11.5
367.24722	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	0.9
57.07010	10.4
59.63037	0.5
66.34177	0.5
67.05421	3.6
69.03360	0.8
69.06992	1.3
69.56101	0.6
71.08568	0.9
76.55712	0.6
76.61487	0.5
79.05428	1.0
81.06970	4.4
83.08562	0.9
85.06462	4.4
91.05412	1.3
93.06966	2.6
95.04902	15.1
95.08528	2.6
105.06979	2.4
107.08540	0.7
109.06464	3.4
119.08559	1.2
123.04401	1.2
129.09035	2.3
131.08592	0.5
133.10121	0.7
137.05954	19.3
138.37695	0.5
142.02644	0.8
147.08078	0.6
179.10638	2.9
193.79817	0.6
221.15331	100.0
222.15677	3.3
259.12051	0.7
299.37869	0.6
305.21060	0.8
349.23703	13.0
353.59790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	3.0
53.03880	3.7
55.01814	3.0
55.05463	23.1
57.03376	50.5
58.75593	2.1
67.05429	42.3
69.06988	18.7
71.04908	3.2
74.82690	2.0
79.05411	62.7
81.06978	45.5
83.04939	1.9
83.08532	10.7
85.06475	4.9
91.05407	83.7
93.06979	78.9
95.04903	9.5
95.08533	40.5
97.06454	10.6
99.08012	2.8
103.05434	3.8
105.06984	100.0
107.04870	2.4
107.08550	37.3
109.06477	12.4
109.10121	9.3
111.07990	2.5
115.05382	2.1
117.06973	38.8
119.08537	63.3
121.06461	3.5
121.10085	16.8
128.06184	4.1
129.06995	27.5
131.07008	3.5
131.08539	40.8
133.10048	22.1
135.07980	2.5
135.11630	3.1
137.09595	3.4
141.06958	3.3
142.07788	2.7
143.08553	23.7
144.09338	3.1
145.10100	39.0
147.07994	2.8
147.11667	18.9
149.09642	8.8
155.08498	4.4
157.10109	12.6
159.11668	31.6
161.13232	4.7
163.11151	3.4
169.10138	4.3
171.11681	4.7
173.13231	13.9
183.11661	8.3
185.13216	38.7
197.13284	5.2
203.14285	28.7
215.77457	2.3
216.85986	2.2
219.17424	25.2
239.17894	11.2
257.18939	20.4
275.19992	41.2
349.23837	34.4
367.24420	9.8
367.28418	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36227	4.6
55.05440	15.0
60.51643	5.0
67.05422	38.1
69.06989	29.1
79.05409	31.0
79.07320	6.3
81.06981	53.7
91.05418	47.1
93.06976	77.4
95.04885	15.6
95.08549	46.9
97.06465	8.5
105.06978	100.0
105.78606	5.9
107.08559	48.5
109.10087	29.7
117.06969	22.3
119.08531	71.3
121.10112	26.7
128.06163	13.1
129.06912	11.5
131.08528	39.3
133.10120	47.7
135.11613	6.8
135.56647	6.2
142.07759	13.9
142.32683	6.1
143.08536	15.1
144.09343	9.7
145.10104	39.7
147.11655	11.6
156.09325	10.1
157.10110	31.7
159.11601	25.2
161.09595	8.4
169.10144	12.5
171.11620	8.9
179.08556	11.3
181.10017	10.0
185.13222	7.4
197.13177	9.4
209.13235	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	367.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	0.6
56.04971	1.8
56.94516	0.4
57.07001	2.5
67.05416	1.9
69.06985	2.4
70.06509	0.5
71.08544	1.0
78.40023	0.4
81.06979	0.8
84.08067	100.0
87.85887	0.4
91.05402	0.4
94.06454	0.5
95.08520	1.1
101.10722	2.7
111.09167	0.8
112.07560	1.0
129.10201	79.1
158.35326	0.4
210.48549	0.4
256.71289	0.4
349.32037	3.3
367.33029	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	368.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00230	1.1
53.03873	7.8
55.05446	16.9
56.96487	2.5
57.03371	9.0
57.06985	1.4
59.85761	1.0
61.02838	6.1
65.96879	1.0
67.05413	3.0
69.02967	1.3
69.03347	48.8
69.06985	100.0
71.04884	5.3
72.31806	1.1
73.02832	5.6
79.05402	1.3
81.03332	34.4
81.06974	2.2
83.08524	6.6
85.02824	83.1
86.09613	8.4
91.05385	2.4
93.07020	4.5
97.02814	20.2
99.04371	12.1
100.07506	1.3
100.11151	8.4
100.11718	1.2
103.03858	5.7
105.06953	5.9
109.02827	35.3
110.05963	2.0
111.11659	19.4
114.36979	1.3
119.08516	2.4
123.04356	1.3
127.03869	47.0
129.06917	1.5
129.12724	12.6
131.08536	1.8
133.10046	1.3
142.12260	4.6
145.04910	6.5
145.10034	2.2
161.09645	2.0
169.04901	4.8
182.15353	8.2
187.05995	15.1
190.95341	1.3
192.20857	1.2
204.01543	2.1
205.07036	22.1
208.96494	1.6
210.14909	2.5
297.12354	1.6
308.93140	1.2
315.17822	2.4
323.08087	1.4
368.20966	11.3
368.28839	3.1
393.65964	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	0.3
53.03894	3.4
55.01812	3.9
55.05439	1.8
57.03099	0.4
57.03376	6.9
57.07004	1.5
59.04940	0.3
61.02857	14.9
69.03350	21.5
69.06988	11.0
71.04910	3.2
72.38622	0.2
73.02834	4.6
81.03338	9.5
83.01266	0.9
83.08541	5.0
83.09021	0.4
85.02828	100.0
86.03170	0.4
87.04390	3.5
91.03886	5.1
97.02823	27.5
99.04389	4.9
101.02330	0.6
103.03873	1.0
105.03332	1.1
107.23000	0.2
109.02830	8.5
115.03929	0.4
117.05422	0.2
125.13252	1.0
127.03872	15.9
139.66537	0.2
143.14290	5.9
145.04936	21.1
163.05983	4.6
172.57561	0.2
177.17940	0.3
178.83170	0.2
180.08612	0.5
189.14856	0.5
190.95442	0.3
368.21262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2795
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
53.39198	1.4
55.05447	8.1
57.07015	3.8
60.04454	100.0
66.40600	1.4
67.05428	31.2
69.06985	9.3
71.08537	1.8
79.05412	6.8
81.06962	28.0
83.08549	2.7
88.03914	24.4
91.05396	49.4
93.06963	7.5
95.08521	20.4
101.73490	1.8
105.06964	3.9
106.04967	77.1
106.06506	3.7
107.08527	3.0
108.08032	2.9
109.10109	8.9
111.14190	1.5
123.11602	1.5
129.35634	1.6
131.08463	1.5
133.10072	2.4
138.77155	1.7
163.62009	1.7
181.36122	1.7
190.95464	2.0
193.85107	1.7
208.96414	2.0
233.67340	1.6
325.39706	1.6
345.71921	1.7
368.42487	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	6.2
56.45580	1.6
65.54321	1.4
67.05407	7.9
69.03339	3.5
69.06977	9.0
71.08590	1.5
74.12449	1.6
77.36073	1.6
79.05387	1.7
79.40171	1.5
81.06974	3.6
83.17448	1.4
86.05984	100.0
87.04385	19.4
90.05444	2.6
90.30914	1.7
93.06982	3.8
95.08524	3.8
100.03355	1.6
104.07026	16.0
106.43051	1.9
107.08561	1.9
125.03495	1.6
130.72534	1.7
160.77148	1.9
186.73303	1.5
205.00102	1.7
303.00174	1.8
368.31488	3.4
368.42303	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82032	0.4
56.96507	100.0
60.04451	0.5
70.06512	13.2
71.95229	0.6
72.95975	2.5
74.97552	2.2
79.33825	0.4
80.89171	0.4
81.75342	0.4
83.97586	1.1
84.04449	1.9
85.02866	0.5
86.09634	0.9
86.60432	0.4
89.33275	0.4
91.05424	1.1
98.05987	0.9
98.97592	0.5
102.48000	0.4
103.05445	2.1
110.07120	0.6
112.08714	2.5
116.07061	1.0
116.98590	0.5
119.04980	0.5
120.08074	15.2
121.08464	0.9
127.03906	0.5
136.07597	0.7
147.04459	3.1
157.10880	0.5
164.32419	0.5
166.08701	2.8
167.03818	2.0
170.08089	0.4
176.03816	8.2
177.00714	0.4
178.05379	12.9
178.06781	0.6
181.01735	2.2
183.03351	2.4
185.04926	0.8
187.02655	0.4
192.03360	0.6
194.04871	12.7
195.03389	0.7
195.11307	0.6
196.06439	21.5
196.08191	0.8
201.04327	8.0
204.03391	1.0
208.02910	2.5
210.04410	3.2
213.12360	1.0
219.05490	0.8
222.02191	0.9
222.04355	25.9
226.03792	4.7
240.05400	40.9
241.05936	0.7
245.06010	0.8
263.07007	0.8
335.70132	0.5
351.10205	1.7
369.11172	21.4
369.22394	3.3
387.12277	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	369.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99988	0.4
51.02300	0.6
53.03885	4.7
53.43139	0.5
55.01814	0.4
55.05456	0.9
60.57830	0.6
65.03857	0.6
67.05416	2.7
69.03349	4.2
74.40543	0.5
77.03839	0.6
77.30719	0.5
79.05400	3.0
81.03378	0.5
81.06964	0.6
83.04898	0.5
91.05408	6.7
92.63986	0.5
93.06972	3.6
94.06487	0.5
95.04891	16.3
95.08556	0.9
96.33345	0.4
97.02837	0.5
97.06454	0.6
99.04424	0.6
105.03335	100.0
105.04481	3.7
105.06960	14.9
106.03668	2.2
107.04899	0.6
107.08552	3.5
109.06436	0.6
110.06061	0.5
110.07040	0.6
111.04331	1.6
117.06971	2.1
119.08529	7.9
121.06477	2.2
122.05974	0.9
123.08026	2.5
128.06239	3.5
128.07021	0.5
129.06967	2.5
130.07768	1.0
131.08537	5.9
133.10101	8.9
135.08063	3.8
141.06961	2.9
142.07745	3.7
142.41869	0.6
143.08546	4.7
145.06474	1.1
145.10077	4.8
146.07193	1.0
147.07932	0.7
153.06976	1.9
155.08542	3.6
156.09323	8.8
157.10074	1.2
158.10904	0.6
159.08046	4.2
159.11667	2.2
161.09581	2.7
165.07027	0.5
168.09331	3.2
169.10052	1.0
170.10886	0.8
171.08025	1.8
171.11681	3.8
172.08788	2.7
173.09641	2.2
173.13234	1.2
175.07602	0.6
178.07745	0.8
181.06442	2.0
183.11639	4.0
184.08905	0.6
186.10359	0.9
187.11180	2.3
190.95386	1.1
193.10109	3.1
195.08281	0.6
196.08821	5.0
199.11131	12.0
201.12746	2.5
208.96422	1.1
211.11154	7.6
217.12227	0.7
229.12212	6.8
232.96454	0.8
247.13260	2.8
250.97502	0.7
321.12878	0.6
369.22412	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	369.2633
Annotation	Cortol
Peak:m/z	Relative Intensity
55.01812	6.4
55.05452	47.8
57.07007	25.9
60.49683	2.6
67.05437	34.4
67.37732	2.4
69.03366	10.0
69.06994	49.4
71.04914	6.3
71.08549	38.0
77.06458	3.2
79.05404	34.5
81.06979	67.3
83.08533	16.5
85.06448	4.3
85.10132	3.0
86.89534	2.6
89.11440	3.2
91.05391	14.3
93.06970	44.6
95.04912	27.0
95.08545	40.4
97.06480	5.1
97.10120	3.0
99.08024	18.2
99.35498	3.3
105.06979	37.7
107.08530	33.9
109.06476	69.5
109.10110	12.1
117.06940	4.8
119.08537	26.4
121.06469	29.8
121.10085	16.1
123.08020	12.8
123.11724	3.7
123.86531	3.3
131.08505	12.8
133.10126	13.3
135.08006	18.4
135.93677	3.0
139.11188	4.8
145.10112	11.3
147.08090	4.6
147.11678	5.1
149.09605	4.9
149.13181	3.2
153.21570	3.2
159.11626	5.1
161.13234	5.0
163.11220	11.8
165.12715	100.0
173.13257	4.1
175.14819	5.1
177.00220	4.3
177.12695	14.2
181.15826	5.9
191.14253	5.2
210.22998	3.7
236.87308	3.3
251.16275	3.8
261.22025	31.4
279.81479	3.3
280.15585	3.1
289.21579	74.5
307.22586	20.4
317.11438	3.4
333.24158	35.9
351.25198	81.7
369.31650	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	369.2632
Annotation	Cortol
Peak:m/z	Relative Intensity
51.42625	2.0
52.57852	1.8
52.89049	1.7
53.00243	5.7
53.03882	4.3
55.01804	4.0
55.05452	41.9
57.03361	11.0
57.07019	16.2
67.05083	2.8
67.05429	77.3
69.06622	2.8
69.06985	28.6
71.04914	3.4
71.08190	3.0
71.08547	64.4
71.34618	1.9
78.46747	1.9
79.05404	84.1
81.03317	13.3
81.06976	80.9
83.04897	34.4
83.08543	20.2
83.67731	2.4
91.05401	51.6
93.06974	100.0
95.04900	23.2
95.08528	60.8
97.06450	19.1
97.10069	5.4
99.08029	39.5
105.06957	34.5
107.04848	9.2
107.08537	39.8
109.06457	14.8
109.10123	20.6
111.04401	2.8
111.08014	4.6
113.09668	2.3
117.06973	4.7
119.08535	26.3
121.06454	5.6
121.10097	28.8
123.08011	3.3
123.11607	3.0
129.06885	3.1
131.08514	5.3
133.10085	21.5
135.07996	2.6
135.11638	32.9
137.09579	4.0
141.09102	4.4
145.10101	5.3
147.11601	9.2
149.13225	3.2
151.11140	28.9
157.10199	2.2
159.11621	3.5
161.13193	14.9
163.11140	3.1
165.12718	18.6
171.11638	2.6
177.12782	3.1
179.14275	87.5
191.10567	4.6
208.96336	4.7
209.11664	11.7
237.11115	15.3
250.97433	3.4
261.22217	2.8
277.21548	37.2
289.21497	10.8
293.17389	11.6
306.14883	2.4
313.11993	2.6
351.25250	53.0
352.25357	2.9
356.17358	2.3
368.46948	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	369.2631
Annotation	Cortol
Peak:m/z	Relative Intensity
52.27583	1.8
53.00241	2.7
54.81664	1.5
55.01805	4.1
55.05191	1.8
55.05450	42.6
56.96484	3.0
57.03358	3.5
57.07002	20.6
57.52668	1.6
59.82338	1.7
67.05123	2.4
67.05427	43.9
69.03334	12.0
69.06987	49.2
71.04906	4.1
71.08544	46.0
77.45273	2.0
79.05414	36.9
81.06974	69.5
83.04907	3.7
83.08549	13.2
85.06456	4.0
86.09633	2.7
91.05402	27.5
92.10864	2.5
93.06970	53.7
94.81640	1.6
95.04899	25.3
95.07964	2.6
95.08533	49.8
97.06454	15.7
97.10078	4.8
99.04315	2.6
99.08037	26.4
104.10633	3.3
105.06982	38.5
107.04879	4.2
107.08541	37.6
109.06473	61.4
109.10131	16.3
111.08016	3.3
117.06970	8.2
119.08540	30.9
121.06440	29.5
121.10108	19.4
123.08016	10.7
123.11668	2.9
125.00002	3.2
126.04449	2.1
131.08539	14.5
133.10074	13.8
135.08000	17.8
135.11659	8.0
137.09584	4.2
137.13214	2.1
138.52934	3.2
139.11145	10.4
141.09056	2.8
145.10097	16.4
147.08002	3.0
147.11664	12.1
149.09547	3.5
149.13226	7.7
151.11145	4.0
157.10092	2.5
159.11627	7.9
161.13213	10.6
163.11137	14.5
163.14801	3.4
165.12712	100.0
166.13095	2.3
173.13214	6.9
175.14819	2.5
177.12721	16.6
179.14244	2.8
181.15871	10.8
184.07242	4.1
187.14702	2.9
189.12671	2.7
190.95319	7.7
191.14194	16.1
205.15860	3.8
205.42662	2.1
208.96452	7.2
226.06963	2.2
233.22630	2.9
243.20988	2.6
247.16600	2.1
250.97263	5.7
251.16380	1.9
251.23500	2.8
261.22076	32.9
270.48645	2.5
271.20477	3.6
273.21191	2.3
277.21408	2.5
279.23032	3.4
289.21539	65.5
290.21783	2.4
303.65515	1.9
307.22601	21.2
333.24164	36.1
337.20383	2.7
351.25223	78.6
368.31134	11.9
369.19995	3.3
369.31406	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	369.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64302	6.3
55.05446	7.2
57.07005	34.3
57.30315	7.0
61.13831	6.9
71.05396	6.6
95.08488	11.7
97.57200	8.6
103.08644	100.0
293.25388	8.8
306.97040	9.2
310.24332	8.9
369.29593	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81713	1.4
55.05443	2.7
57.03349	1.5
59.22450	1.1
66.09247	1.1
67.05429	17.6
69.06990	2.8
70.06489	1.9
79.05399	7.3
81.06982	33.8
85.02797	1.3
91.05389	6.3
93.06950	11.1
95.04878	5.1
95.08532	22.4
100.48673	1.3
103.95924	1.1
105.06982	7.5
107.04979	1.3
107.08550	14.9
109.06448	6.8
109.09411	1.6
109.10117	42.5
112.68018	1.1
117.06947	1.5
119.08562	11.5
121.06445	2.4
121.10085	4.9
123.08023	18.2
123.11618	5.4
129.06984	2.2
131.08501	2.0
133.10081	6.1
135.08015	6.8
135.11623	2.2
137.09586	21.5
137.13162	1.5
143.08455	2.1
145.10100	4.1
147.11717	2.6
153.09084	12.9
157.10117	2.5
159.11656	2.8
161.09601	2.6
163.11124	3.0
165.09190	1.2
171.11632	7.1
173.09471	2.3
173.13174	1.7
175.11122	1.6
181.12225	2.6
183.11609	1.9
185.13194	1.6
191.10590	1.4
199.11092	1.5
211.07816	1.2
211.14700	1.9
225.16287	1.5
243.17459	1.5
247.16895	1.8
255.17270	1.9
259.82227	1.3
271.16788	11.9
273.18491	14.9
289.17953	12.5
317.17410	100.0
335.18469	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	370.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80994	1.0
55.05441	3.5
56.96490	1.4
65.73893	0.9
67.05425	18.5
69.06970	1.6
70.57006	0.8
79.05402	9.4
81.06964	23.8
82.88086	0.7
83.04883	1.0
83.08508	1.2
88.76894	0.7
90.19476	0.7
91.05403	11.5
93.06967	18.2
95.04866	1.3
95.08533	19.1
100.11176	3.8
105.06964	29.5
107.08528	11.9
109.06406	1.2
109.09396	1.7
109.10105	40.5
112.07566	0.8
116.98542	1.0
117.06966	2.1
119.08527	21.4
121.10073	5.0
123.08028	1.8
123.11582	1.0
125.09592	1.0
125.53255	0.9
129.06934	1.4
131.08485	7.1
133.10092	14.4
134.99622	1.0
135.07990	1.5
135.11676	0.9
136.78258	0.9
137.09596	14.7
139.07504	4.6
143.08527	1.9
145.10092	4.7
147.08017	1.0
147.11620	5.2
153.09077	17.2
155.08556	1.2
155.10602	1.1
157.10081	5.4
159.11652	3.8
165.08949	1.8
169.09979	2.2
171.11627	4.3
181.12294	1.1
182.15269	0.9
183.11655	4.5
185.13197	1.6
191.10599	5.5
197.13173	3.5
199.14822	1.5
201.12819	1.1
209.13283	1.6
211.14732	2.1
213.12711	1.2
215.10579	1.5
225.12767	1.6
225.16307	4.1
229.12260	1.4
229.15826	1.9
231.13826	1.2
235.14731	1.1
241.15875	1.0
243.13675	4.3
247.17020	1.2
253.15814	10.4
257.10361	1.1
259.16757	1.5
271.16858	55.9
289.17871	23.5
299.16452	1.9
300.96790	1.0
307.18942	12.5
317.17545	7.4
335.18445	100.0
336.18781	3.3
353.19553	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	370.3313
Annotation	Semiplenamide F
Peak:m/z	Relative Intensity
55.05440	2.1
57.07007	11.7
58.19383	1.7
67.05419	2.8
69.06995	4.6
71.08556	2.6
81.06995	1.9
86.05995	2.5
86.09627	100.0
91.05405	80.6
92.64671	2.0
95.08537	3.3
108.08047	2.0
109.10161	2.2
123.21621	2.2
126.95036	1.8
132.10178	35.0
199.77618	2.2
370.30780	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	370.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	2.4
54.46467	2.2
54.62201	1.9
55.01814	5.6
55.05457	38.9
57.07017	34.5
58.45534	2.3
67.05433	82.3
69.06992	39.0
71.04912	3.2
71.08540	16.5
79.05411	27.5
81.06975	100.0
83.04871	3.6
83.08551	36.1
86.09624	4.0
91.05399	5.5
93.06985	27.4
95.08530	91.4
97.06484	5.0
97.10093	15.6
101.22562	2.5
105.06969	3.5
106.54459	2.3
107.08539	22.4
109.10109	33.7
111.08020	4.2
119.08561	4.3
121.10091	14.2
123.11673	10.1
133.10086	4.2
135.11638	4.6
147.11560	4.5
149.13271	3.1
161.13232	3.4
166.27542	2.3
175.14813	2.7
180.72697	2.4
193.15956	2.9
214.18102	2.6
228.19548	2.5
265.85138	3.0
317.28256	5.9
335.29242	21.1
352.31882	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	371.2064
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.34731	0.4
52.01815	0.5
53.03879	2.8
55.01819	2.1
55.05451	3.9
57.03376	5.8
57.07014	2.1
57.07624	0.5
59.04932	1.0
60.94732	0.5
61.02848	4.9
67.05415	4.8
69.03351	48.6
69.06981	6.2
70.04852	0.5
70.06509	1.4
71.01283	1.1
71.04905	3.2
73.02837	2.6
79.05396	5.8
81.03338	8.6
81.06972	9.1
83.01225	0.7
83.04899	16.2
83.08542	2.5
84.04410	1.1
84.08035	0.9
85.02830	49.5
85.06469	3.1
86.09659	0.5
87.04399	1.3
91.05405	7.2
93.06975	8.0
95.04894	3.5
95.08531	13.4
97.02828	9.3
97.06454	3.4
99.04394	3.0
99.08021	0.8
103.82864	0.6
105.06969	9.2
106.62840	0.6
107.04901	1.3
107.08546	28.0
109.02826	2.4
109.06471	13.3
109.10145	4.4
111.08032	12.8
116.06248	0.6
117.06968	1.1
117.40115	0.7
119.04948	0.5
119.08532	7.9
120.08046	0.9
121.06451	3.7
121.10105	18.6
123.08009	6.7
123.11678	3.7
125.09594	28.2
127.03870	7.4
129.06969	0.8
131.08524	14.2
133.10078	11.0
135.08017	29.2
135.11659	7.5
136.08658	0.9
137.09595	2.2
142.90692	0.6
143.08574	2.9
145.04938	1.1
145.10117	8.1
146.06006	7.4
147.04326	0.6
147.08034	0.7
147.11676	4.8
149.09593	23.7
149.13208	8.0
150.10394	6.7
151.11127	1.2
153.09096	7.3
158.10887	7.2
161.09628	3.8
163.11160	10.3
163.14745	3.9
165.12749	3.2
173.13228	32.3
176.11908	5.8
181.05069	0.7
191.14276	100.0
192.14659	1.0
209.15338	58.2
243.13951	0.7
335.18478	0.9
353.19489	14.0
368.75055	0.7
371.20612	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66526	0.3
53.03897	0.4
53.14735	0.3
55.05443	1.8
57.03376	0.5
57.07001	0.5
61.02824	0.3
61.72609	0.3
67.05421	2.3
69.03353	5.9
69.07012	2.6
71.04899	0.6
79.05405	4.1
79.61904	0.3
81.03357	0.4
81.06977	9.3
83.04913	0.3
83.08559	0.4
85.02831	2.3
91.05405	5.4
92.10143	0.5
93.06979	2.5
95.04893	0.6
95.08517	1.5
97.02805	0.7
105.06985	7.3
107.04897	1.4
107.08545	20.0
109.06471	6.4
109.10098	6.6
115.05406	1.9
117.06985	3.4
119.08559	2.7
121.06451	0.6
121.10107	15.1
122.07245	6.3
123.08015	1.8
131.08545	1.4
132.28854	0.4
133.10103	100.0
134.10400	0.5
135.08029	14.2
135.11670	0.8
137.09595	57.5
145.10078	0.8
147.11681	1.7
149.09654	0.5
149.13243	11.5
151.11136	1.4
158.10899	1.5
163.14806	1.6
173.13208	4.1
191.14268	19.7
197.88876	0.4
209.15347	4.8
273.36160	0.4
348.22772	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	26.8
56.04968	1.9
57.07007	6.4
58.06529	1.1
59.34835	1.0
67.05436	4.8
69.03342	1.8
69.06986	2.1
70.06144	1.4
70.06512	35.2
74.06010	1.3
79.05421	1.5
81.03313	2.1
81.06977	2.5
82.06508	10.7
83.04885	7.8
83.08536	23.3
84.04433	7.7
84.08054	8.8
85.02832	2.3
86.09620	8.7
91.05401	4.9
91.42841	1.2
95.04896	2.6
95.06029	1.0
95.08540	1.0
97.02814	1.7
98.09601	7.9
98.97527	1.0
100.07548	46.7
100.11187	73.6
101.03413	2.0
101.05955	1.0
101.76915	1.0
105.06973	1.5
107.08553	1.1
109.02776	0.9
109.06429	1.0
110.06001	1.7
110.07120	6.3
111.03665	1.9
111.04392	38.9
112.07533	8.0
114.31998	1.0
115.08607	1.1
116.07009	1.5
117.06945	1.1
119.04918	5.3
119.08519	1.2
121.10171	1.3
126.05459	2.0
126.09087	5.5
127.03876	5.1
127.08620	1.5
128.07045	37.2
128.10655	1.2
129.05423	2.4
131.08539	1.6
140.07063	10.3
147.04382	7.0
166.15863	1.6
167.75148	1.2
181.04886	1.2
182.15381	100.0
192.13768	1.3
196.88730	1.0
208.08867	2.1
209.16542	7.4
210.14865	89.4
226.09888	1.2
227.17497	14.7
228.15892	2.0
240.09695	1.2
244.20168	12.7
250.09898	1.5
267.10922	1.4
268.11057	9.2
269.10507	2.4
286.11609	1.7
291.03888	1.0
336.22632	2.4
337.21130	19.1
348.06735	6.1
349.05914	1.6
354.23807	31.8
371.26395	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70583	0.1
53.03870	0.1
53.17509	0.1
55.01788	0.1
56.04950	0.1
56.96490	0.1
63.45927	0.1
65.06846	0.1
66.73426	0.1
66.94877	0.1
67.05429	0.1
69.03340	0.7
70.02847	0.1
70.06515	1.6
70.14146	0.1
73.02837	0.1
79.05413	1.2
81.03333	0.6
84.04425	0.9
84.08061	0.8
85.02829	0.7
86.09614	0.1
87.00754	0.2
88.03921	0.3
89.22768	0.1
91.05416	0.9
92.05738	0.3
93.18098	0.1
95.04890	0.2
96.04429	0.1
97.02819	0.5
106.06498	100.0
107.06818	1.2
110.07124	0.5
118.06474	0.9
119.04871	1.5
120.05225	0.7
120.08109	0.1
124.07591	0.1
129.10211	0.5
130.06497	0.3
136.07545	0.3
146.06065	0.2
147.04376	2.4
148.04721	2.5
153.00774	0.1
158.09686	0.1
159.02873	0.2
174.03966	0.1
177.00693	0.2
181.04935	0.7
189.07060	0.1
189.09068	0.1
264.05396	0.2
270.56726	0.1
372.13074	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	372.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.2
55.01815	0.2
55.73788	0.1
56.96510	0.2
65.03848	0.2
69.03349	0.7
69.06995	0.2
70.06509	1.7
70.86238	0.1
78.11789	0.1
79.05412	1.4
81.03329	0.6
84.04436	0.9
84.08084	0.9
85.02827	1.2
86.09629	0.2
87.00764	0.2
91.05414	0.7
92.05733	0.3
95.04893	0.2
97.02826	0.2
98.97502	0.2
103.03050	0.2
106.06499	100.0
107.06832	2.0
109.02831	0.3
110.07113	0.6
118.06490	1.0
119.04905	1.4
120.05239	0.8
127.03886	0.3
129.10201	0.6
130.04985	0.2
130.06479	0.3
132.08031	0.2
134.99791	0.2
136.07455	0.2
142.68530	0.1
146.05988	0.2
147.04385	2.2
148.04736	2.0
150.05489	0.2
181.04950	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	372.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	3.2
53.91927	2.2
55.01808	3.5
55.05447	10.3
62.06018	26.9
65.03862	2.8
67.05421	14.3
69.03346	2.9
69.06978	11.0
71.04890	2.3
71.05862	2.2
79.05409	31.5
81.06970	12.5
83.04894	4.7
86.09606	3.3
91.05398	32.6
93.06961	19.1
95.04909	9.8
95.08527	5.5
97.06432	5.2
99.04401	10.3
105.06977	91.7
107.04887	13.8
107.08552	24.1
109.06456	14.7
111.04340	2.8
114.85558	2.9
117.06959	15.5
119.08556	9.5
121.06457	31.1
125.05931	5.3
129.06960	3.9
130.07758	3.6
131.08516	18.3
133.06448	24.3
135.08035	4.5
141.06999	4.0
143.08557	5.9
144.05844	2.9
144.09392	3.6
145.06462	15.7
145.10106	70.7
151.07449	4.4
154.07780	3.1
155.08553	10.8
158.07239	25.0
159.08022	19.0
159.11621	23.9
161.09587	3.6
165.15451	2.4
171.08054	2.6
172.08795	4.4
173.09598	100.0
182.07256	3.9
187.11134	40.4
197.09599	12.7
203.31647	2.8
205.12173	18.6
215.10641	39.2
233.11687	30.6
238.17970	5.6
239.93803	2.4
336.25253	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	372.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30700	0.6
55.05448	1.4
56.04971	3.3
57.07000	2.5
67.09026	0.7
69.06979	1.2
72.04427	48.5
72.99781	3.5
83.08535	0.8
88.02135	100.0
88.07550	5.0
91.57101	0.6
106.08612	0.7
119.08520	0.8
121.06470	1.1
137.04192	1.0
137.20071	0.7
145.01700	0.7
177.12721	1.1
180.08397	2.4
189.05142	0.7
196.07922	3.3
199.13628	0.7
201.19304	0.7
208.07910	3.7
237.43530	0.7
257.33340	0.7
275.54364	0.7
316.13583	11.2
324.32666	1.5
372.26096	2.3
372.34714	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	373.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66911	1.2
52.08348	1.1
53.29174	1.2
56.96502	90.2
58.46231	1.4
64.40559	1.2
70.06480	2.1
76.56390	1.3
83.97572	1.4
85.90822	1.3
116.00190	1.5
119.04894	9.5
130.06459	1.6
132.08051	6.5
133.56935	1.6
146.05984	6.5
147.04393	21.5
162.97852	3.2
174.02194	15.8
188.03839	2.1
188.07008	3.3
192.03288	100.0
193.03505	1.5
204.03372	3.5
206.04837	30.5
210.04347	45.6
215.04906	23.9
216.03323	2.4
216.57930	1.5
217.06461	12.7
220.02811	3.4
222.04332	6.9
224.05891	15.8
233.05939	42.6
234.04446	2.2
235.07487	31.4
238.03773	5.8
240.05357	1.9
243.04362	3.5
247.03825	5.5
249.05321	2.1
254.03415	1.8
261.05396	75.6
261.08170	2.5
279.06454	83.3
284.07190	2.1
313.22229	1.5
373.10483	2.9
373.14737	1.9
386.67963	1.4
391.11569	3.0
391.66583	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	2.5
53.68447	0.2
54.81349	0.2
55.01805	0.4
57.03364	0.4
60.76869	0.2
61.02856	0.2
65.03864	1.2
66.04190	0.3
67.01791	0.9
67.05421	0.4
69.03348	7.4
70.06518	1.7
71.04919	1.4
79.05381	0.3
81.03337	15.2
83.01283	0.2
84.04447	0.2
85.02823	5.9
86.09616	0.5
89.03796	0.3
91.05407	2.9
92.05724	0.3
95.04913	0.3
97.02827	7.4
99.04383	2.2
107.06034	0.3
109.02834	19.5
110.07121	0.2
111.04395	0.2
119.04912	2.4
120.05228	0.2
125.05997	0.2
127.03879	100.0
128.04225	0.9
136.07527	0.2
137.05937	0.3
138.03075	0.3
139.03868	0.3
145.04944	0.3
147.04382	2.2
148.04793	0.2
169.04904	0.9
171.06493	0.7
175.03827	2.1
176.04236	0.3
181.04916	8.2
182.05231	0.4
182.40045	0.2
187.05960	4.1
201.05457	0.3
207.06520	2.1
208.06888	0.8
216.01437	0.2
229.07156	0.3
247.08170	0.3
272.84329	0.2
280.10626	0.2
281.04919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	8.6
55.01807	0.3
61.02857	0.5
67.01777	1.2
69.03351	2.9
71.04902	0.9
75.38752	0.2
79.05419	0.2
81.03343	7.9
81.06973	0.3
82.53356	0.2
83.01270	0.2
85.02833	1.1
97.02824	8.9
98.08169	0.2
99.04386	3.0
105.06966	0.2
107.06042	0.3
109.02836	12.2
109.10105	0.2
115.03867	0.2
119.08555	0.3
127.03883	100.0
128.04237	1.0
139.10384	0.2
139.38757	0.2
145.43936	0.2
169.04652	0.2
181.04971	1.0
187.05980	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02840	0.5
67.22541	0.5
69.03332	1.4
79.05399	0.8
81.03329	0.9
83.27699	0.6
85.02836	1.2
97.02832	1.0
108.66373	0.5
109.02776	1.3
127.03900	4.6
134.99652	0.8
143.11098	0.7
150.64261	0.5
185.04167	10.0
203.05217	7.1
211.13016	6.5
311.04294	0.6
323.91565	0.7
373.18219	100.0
374.18567	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	373.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00222	7.2
55.05451	54.4
57.03372	7.5
57.07008	82.2
63.55235	7.3
67.05434	54.3
69.06999	56.3
70.06483	11.0
71.08544	100.0
79.05402	7.3
81.06982	57.3
83.08539	36.5
84.08072	8.6
86.09613	9.0
93.06924	9.1
95.08525	44.5
97.10104	14.2
101.34965	9.0
107.08544	14.2
108.94782	8.0
109.10116	18.7
123.11664	15.1
131.82640	7.7
131.93851	7.6
141.12749	15.9
165.12619	8.9
293.35501	10.4
299.25681	17.1
355.28363	60.7
392.08582	8.5
395.38300	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	373.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46529	5.2
54.53784	5.0
55.05232	5.3
55.05449	69.1
57.03383	8.7
57.07007	15.0
67.05435	60.8
67.39902	6.6
69.06982	72.9
71.08549	100.0
79.05425	9.3
81.06967	71.9
83.08087	5.5
83.08539	53.6
85.06467	8.7
89.16380	6.3
91.05375	7.6
93.06963	9.5
95.08546	71.5
97.10085	44.4
99.08016	42.2
109.10129	16.4
123.11667	12.0
127.11165	7.2
147.11580	7.3
251.07016	6.8
299.25748	14.1
317.02731	7.8
355.28214	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	373.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32292	2.4
55.05450	35.6
57.03372	5.7
57.07018	78.5
67.05429	62.7
69.06986	38.1
70.06503	6.6
71.04915	5.4
71.08183	4.7
71.08549	86.3
79.05410	9.8
81.03338	5.7
81.06975	100.0
83.08541	44.4
85.10102	48.3
86.09611	3.4
87.05468	2.5
91.05415	17.3
93.06956	24.8
95.08537	93.5
97.10098	21.8
99.07995	2.5
105.06977	13.1
107.08529	14.3
109.02841	5.7
109.10104	30.3
111.08018	5.4
111.11694	4.7
119.08540	12.9
121.10087	13.2
123.11639	14.6
127.03842	2.8
133.10109	7.0
133.52773	2.9
135.11674	3.3
137.13272	5.9
147.11726	3.3
149.13181	3.4
151.11227	3.5
155.14294	18.7
161.03622	2.6
168.73842	2.5
191.62605	2.7
209.91039	2.7
240.51486	3.0
245.22577	5.2
246.51865	2.6
263.23767	5.7
281.24673	6.4
281.75912	3.2
299.25699	12.6
320.69003	3.0
341.86792	3.3
355.28345	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00259	0.4
53.03882	1.7
55.01805	0.9
55.05456	0.6
57.03373	3.3
61.02845	0.8
64.33977	0.4
65.03865	0.9
67.05433	1.9
68.99708	0.5
69.03354	20.6
69.06986	0.8
70.06518	3.6
71.01297	1.4
71.04916	4.4
73.02847	0.6
74.70892	0.3
81.03343	14.3
81.57329	0.3
83.01259	1.6
83.04900	0.5
84.04429	1.8
84.08087	2.2
85.02831	23.5
85.06493	0.5
86.06010	0.4
86.09622	2.5
87.00758	14.4
87.04404	1.8
91.05412	100.0
92.05755	0.6
93.04583	0.4
95.04939	0.6
97.02828	34.1
99.04391	10.1
99.57773	0.4
100.07597	0.8
100.11207	1.8
101.02335	0.8
103.05415	0.6
105.01822	9.6
107.08521	0.4
109.02843	5.7
110.07141	0.5
111.04382	0.5
113.32073	0.4
115.03909	0.6
116.07020	0.5
119.04896	0.5
120.08025	0.9
126.05475	1.8
127.03881	25.9
128.07059	0.8
129.07002	0.5
137.05995	1.6
143.08476	0.6
145.04941	12.6
147.04401	0.5
159.08232	0.6
167.07060	0.6
168.04764	0.7
171.02872	0.8
177.05499	2.5
182.05334	0.5
182.15440	1.6
183.15733	2.2
187.07967	0.4
197.03888	1.4
210.14848	0.7
211.15283	2.5
231.04955	11.8
249.06009	5.6
349.62582	0.5
389.59836	0.5
396.73798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	3.4
55.01813	4.4
55.05486	0.3
56.63153	0.3
57.03369	4.1
61.02859	3.8
65.03859	1.9
65.75754	0.3
68.99702	1.0
69.03347	19.8
69.47106	0.4
70.06501	2.0
71.01289	0.4
71.04903	1.9
73.02830	3.6
77.66930	0.4
81.03338	13.9
81.28271	0.3
83.01287	0.5
84.04427	0.5
84.08065	1.6
85.02827	45.4
86.09634	3.4
87.00346	0.4
87.00748	21.7
91.05405	100.0
92.05730	2.2
95.49248	0.4
97.02822	15.6
99.04385	6.2
101.02309	0.4
103.03880	0.6
105.01804	19.6
105.06946	0.9
108.04401	0.8
109.02827	13.1
109.73505	0.4
115.03921	0.4
117.01849	0.8
117.07045	0.4
120.08071	2.6
126.05485	0.5
126.98484	0.4
127.03878	24.6
129.01799	2.4
129.06934	1.8
129.10153	0.4
143.08488	0.4
145.04941	7.3
145.06485	1.5
147.02907	0.7
159.02896	5.5
163.11157	0.6
171.02950	0.5
171.07959	0.7
189.03975	0.8
199.07507	1.9
213.03979	0.8
231.04944	5.7
248.07634	0.7
249.06064	2.3
265.47141	0.4
321.09708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.5
55.01807	2.7
55.05434	4.7
62.06002	3.3
67.05419	6.4
69.03339	0.9
69.06979	3.0
70.78078	0.6
71.04885	3.5
72.07946	0.7
79.05410	22.7
81.03322	1.5
81.06973	24.2
81.63493	0.8
83.04885	3.0
85.02834	1.6
85.06458	3.5
86.09641	1.4
91.05399	18.4
91.93107	0.7
92.10161	0.8
93.06969	100.0
95.04893	7.4
95.08519	3.4
95.20970	0.7
97.06449	9.2
98.97523	0.8
99.04398	10.9
105.06964	19.3
107.04900	1.5
107.08540	36.3
109.02799	1.8
109.06467	13.2
111.08006	1.3
113.05948	1.1
117.06949	1.5
119.08529	10.3
121.06457	33.2
121.10065	1.3
123.08002	1.8
125.05936	1.2
127.03870	0.8
127.07506	8.8
129.06975	3.1
131.04912	0.8
131.08498	4.9
133.06435	1.8
133.10098	7.4
135.04391	1.8
135.08014	30.4
135.11630	5.0
137.05971	3.8
137.09660	1.2
139.07510	3.4
142.07764	1.8
143.08505	7.7
145.06483	1.6
145.10103	11.5
147.07997	5.0
147.10619	1.3
147.11670	18.7
153.09047	5.8
156.09314	3.6
157.10103	11.3
161.09534	1.6
161.13245	4.9
163.11139	3.1
165.12622	0.8
171.11650	13.6
173.09569	10.8
175.07501	0.8
175.11148	13.8
181.10054	1.7
189.12700	14.8
193.12131	0.9
199.11108	11.3
207.13768	7.1
217.12198	30.3
235.13245	42.0
253.14282	12.6
339.14291	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34173	0.9
52.58925	1.0
53.45409	1.1
55.05442	1.4
59.14569	1.1
64.31596	1.0
67.05414	1.5
69.07003	1.5
77.96801	1.0
81.03342	2.5
81.06977	2.1
82.66437	1.1
85.02801	1.3
86.09650	1.3
88.49768	1.2
91.05386	1.3
98.79427	1.1
109.02831	5.2
268.66953	1.1
304.34323	1.1
304.81506	1.4
356.25500	50.8
374.26569	100.0
375.26901	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	374.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81456	0.7
55.05447	0.8
57.07011	15.6
58.06520	4.2
58.53344	0.6
70.06506	34.9
71.08543	5.5
84.08054	0.7
85.10101	1.6
86.09625	0.8
88.07552	42.5
91.84615	0.8
102.09113	25.9
106.63303	0.8
132.10147	1.3
150.11223	1.0
157.82080	0.7
160.79771	0.7
205.99133	0.7
224.92178	0.7
266.41428	0.8
268.29965	1.2
312.32538	66.4
313.32886	1.1
356.35208	4.9
374.36179	100.0
375.36588	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	375.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.2
55.01805	0.8
56.96492	1.0
57.03373	0.4
61.02833	0.6
68.99680	0.3
69.03349	3.3
70.06499	1.0
71.04893	0.2
72.08054	0.2
73.02823	0.8
76.56064	0.2
76.66574	0.2
81.02907	0.2
81.03338	4.3
83.95976	0.1
84.04425	0.2
84.08064	0.4
85.02821	4.7
87.00746	2.7
91.03867	0.2
97.02809	2.1
99.04379	0.7
100.11117	0.3
105.01793	0.8
106.73709	0.2
107.04906	0.3
107.07296	0.2
109.02827	3.1
113.70126	0.2
117.01851	0.3
119.04885	0.3
127.03872	100.0
128.04231	1.3
129.10219	0.2
137.05919	0.2
145.04933	0.7
147.04416	0.7
151.03873	1.7
159.02893	1.0
218.73131	0.2
231.04965	0.2
240.05417	0.2
283.37189	0.2
351.08499	0.3
352.08963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	3.7
55.01805	13.8
55.05447	16.7
55.09595	2.7
57.03382	3.3
57.06998	4.5
64.33550	3.0
67.05422	22.7
69.03345	8.2
69.06992	18.4
69.31969	3.6
71.04903	7.4
76.56455	3.6
79.05422	42.9
81.06974	75.1
83.04910	25.9
83.08550	15.4
85.03789	3.7
85.06461	7.1
91.05402	33.9
93.06973	100.0
95.04910	31.2
95.08548	45.8
97.06474	18.9
98.30924	3.4
99.04382	23.1
105.06980	57.9
107.04932	8.2
107.08562	52.7
108.22665	3.4
109.06456	35.6
109.10117	14.7
111.08049	18.6
117.06935	4.5
119.08550	39.0
119.09304	3.8
121.06464	69.2
121.10114	19.2
122.05962	4.4
123.08048	6.0
125.05958	6.9
127.03853	5.3
127.07558	8.9
129.06956	6.5
131.08604	7.3
133.06516	5.0
133.10097	34.6
135.04430	6.7
135.08025	17.9
135.11658	15.4
137.05925	5.2
139.07523	7.5
142.07791	6.1
143.07040	4.0
143.08589	14.5
145.10115	15.4
147.08011	7.9
147.11665	47.5
149.13063	3.8
156.09300	5.8
157.10095	22.0
161.13214	5.8
165.12720	8.0
171.11629	17.4
173.09538	5.8
173.13190	3.8
175.11163	30.1
189.12692	29.0
193.12268	18.0
199.11147	22.5
207.13777	17.4
217.12213	49.2
235.13289	54.1
253.14268	31.1
303.23059	4.8
305.57892	4.4
375.17645	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	376.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06880	0.8
56.32513	0.7
56.96247	1.5
56.96503	27.8
57.06999	1.4
69.06986	1.4
71.95178	4.5
74.97538	1.1
88.13371	0.9
110.97534	1.3
116.28650	1.0
116.98522	1.4
123.01122	1.3
128.98564	5.6
131.00076	0.9
133.98849	1.7
146.99619	15.4
151.99861	0.8
155.03714	1.9
161.01190	2.2
165.00655	6.4
175.02824	1.1
183.03377	1.4
185.04886	0.9
189.04326	1.8
203.05893	1.8
263.09601	1.7
277.11191	1.7
295.12079	1.4
315.15622	1.1
317.17746	18.9
333.17297	5.9
335.18851	100.0
336.19022	3.6
353.19946	46.2
354.20370	1.3
358.20245	7.1
376.21359	2.2
376.28165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15163	0.3
53.00256	0.6
54.26163	0.3
57.07015	83.1
73.71090	0.3
74.57419	0.4
78.60624	0.3
79.19164	0.3
84.08080	0.4
92.10336	0.5
92.97852	0.4
102.09148	0.5
107.06081	0.5
107.39522	0.4
124.08675	0.7
125.07078	10.6
126.05470	8.4
134.07066	0.6
135.05496	0.5
191.11786	1.7
208.14449	5.0
208.87965	0.3
209.12833	18.3
210.11266	2.3
217.60185	0.4
218.12901	7.6
219.11290	4.5
260.15134	2.5
275.17508	11.5
292.20163	12.0
293.18533	12.3
302.18585	25.0
358.24893	2.4
376.25894	100.0
377.26279	2.2
394.27008	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	376.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63767	3.2
54.81693	3.4
58.18610	3.1
62.82925	2.8
69.06960	12.8
73.09180	2.6
75.87965	3.0
79.21434	3.0
79.26658	3.6
86.09631	100.0
86.26670	3.0
91.63246	3.0
102.23766	3.2
109.06465	3.2
110.04466	3.0
112.07512	6.1
118.67095	3.1
159.61963	3.5
296.44348	3.3
301.21185	3.5
318.35309	3.7
328.45755	3.6
376.32266	32.8
387.79968	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	376.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55733	4.4
54.96965	5.3
55.01798	6.5
55.05458	8.6
57.07002	23.1
59.39774	4.9
67.05410	12.1
69.06963	13.7
71.08553	55.0
79.05437	6.4
81.06952	9.1
86.09637	6.6
88.07472	6.8
88.11195	100.0
93.06950	11.9
95.04866	11.9
95.08554	21.9
97.06451	7.4
99.07977	6.3
107.08498	11.7
109.06444	34.0
118.57491	6.7
158.97876	6.7
165.12697	94.6
201.12552	5.9
217.96152	6.4
221.28471	6.0
224.19801	6.1
278.24716	8.6
327.07089	7.5
337.58609	6.3
353.19766	25.7
369.35046	6.0
375.36813	7.1
376.27582	9.2
376.31998	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	377.1456
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03880	3.4
55.01809	2.2
56.96497	2.9
57.03376	18.5
60.05562	0.6
60.25937	0.6
61.02858	7.9
61.35011	0.5
69.03349	26.2
70.06507	7.0
71.01258	3.6
71.04895	4.7
73.02821	3.2
74.62503	0.5
75.04386	4.3
79.02814	0.5
79.04404	0.5
79.05432	0.9
81.03334	6.3
81.06959	0.9
84.04424	2.9
84.08077	1.3
85.02812	1.3
86.09613	1.4
87.04443	0.8
89.46661	0.6
91.05407	2.8
95.04876	0.6
96.04456	0.8
96.49754	0.6
97.02808	1.1
99.04402	6.6
103.05422	0.9
107.08537	1.0
114.05485	3.9
116.07037	2.9
116.98614	0.8
117.05466	1.3
120.08064	13.3
127.03825	0.7
130.06497	3.1
137.05946	6.0
138.05449	1.4
138.06383	0.8
142.04976	1.5
145.07590	3.8
146.99673	1.0
149.06007	0.7
149.09441	0.6
151.03940	0.9
158.02693	1.0
159.09164	1.1
167.03362	0.8
170.07095	3.0
172.08672	62.5
173.09070	0.8
174.10237	2.9
175.08623	2.2
176.03667	0.8
179.07011	0.7
184.06119	0.8
190.09697	1.5
197.01213	3.9
198.06593	10.4
200.08153	6.1
202.12785	0.6
214.09735	1.3
215.02299	6.2
216.07642	40.5
217.07997	1.3
218.09267	2.7
243.08723	100.0
244.06985	1.5
244.09177	1.0
316.12653	0.7
331.12939	0.8
359.13205	3.9
377.14465	84.6
378.14728	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00259	1.8
53.03891	10.5
54.80360	1.2
55.01813	3.0
55.05461	18.6
57.03370	6.8
67.05419	6.1
69.02969	1.8
69.03350	56.8
69.06991	100.0
71.04910	10.0
71.08535	2.0
72.41393	1.4
73.02843	2.6
73.31386	1.3
74.05977	1.9
79.05393	1.4
81.02852	1.6
81.03334	40.6
81.06948	1.8
82.24555	1.5
83.04893	2.9
84.04426	1.5
85.02834	31.8
86.09643	2.3
87.00766	16.6
91.05414	2.5
94.13432	1.4
95.08540	2.0
97.02835	16.9
97.06454	1.8
99.04405	18.4
99.08082	2.0
100.11192	6.3
105.01804	2.6
109.02816	26.0
109.10107	2.4
111.04374	2.8
111.11667	9.6
124.07575	2.1
127.03883	33.1
127.11169	2.2
129.12708	6.2
213.03973	2.0
215.21640	1.7
231.04979	16.1
259.42203	1.5
376.25061	2.2
377.25671	1.6
387.28806	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16991	2.7
55.74843	2.7
56.37687	2.6
56.96505	2.5
57.06737	3.8
57.07012	100.0
60.35131	2.4
60.55587	2.6
61.12791	2.3
63.54211	2.8
71.08546	70.3
78.88856	2.5
85.10103	30.9
89.05951	98.7
107.07015	17.3
112.46851	2.6
132.03632	2.9
133.08568	29.9
147.66933	2.9
151.09570	4.0
177.11223	3.8
195.12262	45.6
204.06648	3.1
281.97079	3.4
351.39624	3.2
377.32327	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	378.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	2.6
54.81723	0.6
55.01794	2.3
56.96499	3.0
57.03364	2.0
61.02858	3.5
62.31620	0.5
65.03859	1.1
67.05419	1.2
68.12830	0.4
69.03355	6.7
70.06486	2.2
71.04910	0.9
73.02794	0.6
81.03339	2.8
84.04446	0.9
84.08080	1.1
85.02827	17.8
86.09613	0.8
87.04359	0.7
91.05398	2.3
92.03245	0.4
95.04896	24.4
97.02827	6.3
98.97498	1.1
99.04372	2.2
102.05478	0.7
103.05383	0.6
105.03329	2.4
105.04455	0.6
105.06970	4.2
109.02817	2.0
109.06469	0.6
110.03614	0.6
110.88233	0.4
111.04362	0.6
115.99016	0.5
116.98553	0.9
119.04899	4.5
121.02807	1.1
123.04382	14.1
125.02269	3.9
127.03858	2.8
128.98613	0.6
131.04906	2.7
133.06467	4.1
134.99615	2.4
137.05960	7.3
139.03917	0.8
140.04659	100.0
141.04959	0.9
145.04939	1.2
146.99657	0.7
147.04388	10.9
151.03871	5.6
151.04922	0.8
155.06998	26.2
165.09099	1.0
167.03317	1.1
170.12273	0.6
171.06297	0.6
173.08061	3.6
180.08690	0.9
181.04910	10.8
197.01216	5.7
199.05981	33.9
205.30363	0.5
215.02222	7.6
223.04410	0.8
233.02689	3.3
244.56610	0.5
283.65875	0.5
379.06241	3.0
379.10788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	3.9
54.81741	1.1
55.01816	6.2
56.04980	1.2
56.96497	11.7
57.29049	1.0
57.89604	0.9
60.04453	4.6
61.02860	1.3
64.57706	0.9
65.03889	1.5
69.03352	6.4
69.58055	0.9
69.81694	1.0
70.06509	6.2
81.03326	1.7
83.52876	1.0
84.04458	1.5
84.08088	1.0
85.02829	18.7
86.09627	1.7
91.05401	5.4
95.04899	22.7
97.02822	5.6
98.97532	2.2
99.04350	1.1
103.05393	1.1
105.03342	5.8
105.04470	1.2
105.37666	1.0
109.02832	1.6
110.07151	1.3
110.41305	1.0
111.04398	1.1
116.98568	5.6
119.04876	7.9
120.08059	2.2
121.02826	1.2
123.04358	13.4
125.02323	5.4
127.03870	2.3
134.99637	2.6
136.06152	2.7
140.04665	100.0
145.04932	2.7
146.99655	4.3
147.04372	16.7
151.03896	2.6
155.07010	26.0
158.06023	1.5
165.00713	1.8
167.03374	1.6
173.08115	4.3
179.00208	1.4
180.08707	2.1
181.04904	8.3
197.01210	20.0
199.06006	44.0
215.02229	28.3
233.02618	8.4
260.08890	1.5
262.05695	2.1
269.03348	1.3
275.00198	1.4
306.55942	1.2
362.66379	1.3
377.14066	1.5
378.11349	2.0
379.06247	2.2
383.99542	1.1
386.02277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05460	2.1
56.96241	2.9
56.96499	53.9
59.58150	2.2
71.95163	2.9
72.95978	3.2
74.97529	2.6
84.95963	2.8
86.09618	10.3
91.55298	2.1
95.87500	2.7
104.10713	2.2
105.03325	4.9
124.99977	3.0
125.47921	2.4
146.99576	9.4
149.05939	4.7
165.00653	3.1
184.07300	2.9
202.81633	2.3
217.38507	2.6
241.11038	22.3
256.26370	2.9
259.12082	46.6
265.85904	2.7
319.19232	34.8
337.20383	100.0
337.45050	2.9
338.20694	3.5
345.08142	2.6
355.21490	78.8
360.21866	3.6
378.23428	4.8
378.29453	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	378.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40327	1.7
54.41582	1.5
55.01807	4.7
55.05450	41.0
57.03376	4.2
57.07035	2.4
61.67119	1.7
67.05418	24.1
69.03341	14.0
69.06985	30.3
71.04923	17.2
73.07758	1.6
73.18588	1.7
79.05405	19.8
81.03339	12.6
81.06973	35.3
83.04904	11.5
83.08530	26.5
91.05399	13.2
93.06969	19.4
95.04895	19.5
95.08531	13.2
97.02825	8.9
97.06462	30.1
97.10110	37.3
99.08018	3.4
100.11137	4.1
105.06972	9.3
107.04921	4.4
107.08541	28.3
109.02836	3.0
109.06454	21.9
109.10109	14.8
111.08033	9.0
115.07520	7.5
117.06992	2.7
119.08510	9.4
121.06469	11.3
121.10068	3.3
123.04440	2.6
123.08036	9.9
123.11591	2.0
125.09586	25.0
129.06960	3.3
131.08534	3.4
133.10089	3.5
135.08020	22.0
137.09561	8.6
139.07516	100.0
145.06514	2.1
147.11716	3.2
149.09686	2.8
153.09041	4.0
155.10391	1.9
157.10092	2.4
158.77856	1.9
159.08098	4.3
159.11763	2.2
163.07478	4.5
189.11226	8.8
193.12239	3.6
197.11719	2.2
211.13199	9.8
219.13699	7.1
223.13174	2.0
237.14804	7.9
241.35175	2.2
253.14349	3.0
266.50293	1.9
271.16910	10.3
289.17947	26.4
307.18991	24.7
325.19943	7.1
343.15518	2.1
343.21194	3.1
361.22064	2.6
403.99744	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	378.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53804	0.9
52.30866	1.0
55.05456	1.0
56.04966	5.8
57.07005	7.6
58.06319	0.9
58.06537	16.1
58.17728	0.9
58.57232	1.0
69.06986	1.5
70.06509	2.2
71.08536	4.4
72.08067	24.2
73.02832	1.3
75.99719	1.0
82.86069	1.2
86.05978	2.7
89.05935	1.3
89.11814	1.0
89.19772	1.3
100.07511	2.6
106.25722	1.3
112.51783	1.2
118.08595	5.0
132.10168	76.5
135.78676	1.4
148.09705	1.4
192.28412	1.2
199.60033	1.3
206.13928	2.0
210.21893	1.2
236.74202	1.2
263.47244	1.3
286.27338	75.7
298.27249	1.2
378.32037	100.0
379.32230	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	7.4
57.97134	1.6
63.75961	1.8
67.05428	3.3
69.06976	11.6
71.08177	3.2
71.08545	53.6
76.04572	1.7
76.78658	1.8
79.05412	4.2
81.06984	15.6
82.07756	1.8
83.08531	4.6
85.06516	1.9
88.10656	3.9
88.11187	100.0
88.77307	1.8
91.05385	2.8
93.06956	9.7
93.95964	1.8
95.04893	3.4
95.08516	11.3
99.08018	2.5
102.74216	1.8
102.99857	1.8
105.06937	4.4
109.06461	7.2
109.10116	2.1
119.08491	2.4
121.10094	2.5
131.08563	2.0
133.10077	2.2
155.44064	2.2
165.12723	10.0
230.71985	2.0
257.89465	1.9
280.26230	12.1
291.23157	9.1
378.28955	2.7
378.33594	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	379.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	0.9
56.96494	0.7
62.06035	0.8
64.33323	0.7
64.92294	0.6
65.00139	0.6
65.03861	0.8
67.05432	1.3
69.03359	1.3
69.06968	0.9
69.29950	0.6
70.06517	2.9
71.04915	1.4
71.24249	0.7
72.08070	1.3
76.64854	0.7
79.05406	3.3
81.06966	4.8
84.04449	1.1
84.08061	1.2
91.05407	5.0
93.06985	1.0
95.08540	1.0
99.08042	1.2
105.06982	1.1
107.08566	0.8
109.06451	0.8
116.61836	0.8
119.04922	1.1
119.08572	1.0
120.08067	0.9
121.10181	0.9
122.02692	0.8
122.05939	1.3
123.08059	1.1
133.10060	0.8
140.07034	0.8
142.08635	1.5
146.39291	0.8
147.04417	1.0
147.08139	0.8
158.02704	1.7
161.04756	1.6
162.05548	1.0
181.04843	1.0
188.03374	7.3
206.04350	5.5
276.65298	0.8
293.09982	3.3
329.11340	3.3
335.10938	24.5
335.14642	1.4
347.12180	1.5
361.13812	1.6
379.09940	100.0
380.10297	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	379.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03643	2.7
53.03886	54.2
55.01811	6.0
55.05439	3.8
57.03360	7.4
61.02846	7.2
67.01779	9.4
67.05404	3.3
69.03344	27.6
69.06966	2.2
71.01295	2.1
71.04904	8.3
73.02817	3.8
78.42801	1.4
79.05385	3.1
81.03339	88.6
81.06990	6.1
83.04919	1.5
85.02841	20.4
89.87661	1.7
91.05370	2.5
93.06968	3.0
95.04887	3.3
95.08526	1.9
96.94419	1.7
97.02821	51.6
97.06448	3.0
99.04366	21.6
99.05379	1.5
101.63573	1.8
103.03866	6.5
107.08549	1.8
109.02827	100.0
109.06453	2.1
110.19875	1.7
115.03868	3.2
125.02322	1.6
127.03876	71.2
133.09972	1.6
145.47746	1.9
151.03897	3.0
159.90439	1.8
169.04886	7.0
171.51770	2.1
187.05984	24.8
229.07045	7.3
241.06956	2.1
247.07964	7.5
274.01535	1.6
336.10303	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10981	0.3
55.01806	0.7
55.05437	0.5
56.04957	0.5
56.96484	0.8
57.03354	0.4
62.43475	0.3
64.27489	0.3
69.03323	2.2
69.03676	0.4
70.06509	9.3
71.04878	0.6
72.08057	0.8
73.02784	0.4
73.06457	0.8
78.37593	0.3
79.05407	0.7
81.03325	0.9
81.06957	0.5
81.48674	0.3
84.04444	2.8
84.08046	2.2
85.02834	3.5
86.09638	2.7
89.51623	0.3
91.05416	3.0
93.06943	1.7
94.06487	0.4
95.04865	0.5
95.06008	0.4
97.02813	1.8
99.04378	0.9
100.15697	0.3
101.05931	0.6
103.03850	0.5
103.05423	0.6
105.06956	0.8
105.83143	0.3
107.08544	0.5
109.02827	0.7
110.05996	0.4
110.07091	2.0
112.08614	0.4
116.07032	0.4
116.98541	0.4
117.06973	0.4
119.08528	0.5
120.04393	0.7
120.08068	3.3
121.06401	0.6
124.04997	1.6
127.03873	2.0
129.10162	0.6
130.04950	0.7
131.08427	0.3
131.81453	0.4
135.07971	0.6
145.10106	0.3
145.35837	0.4
146.06009	0.5
149.04509	1.7
149.08318	0.5
151.03842	0.7
166.07195	0.9
167.05458	0.4
167.66273	0.3
169.04938	3.2
181.08574	2.7
182.08878	0.6
188.05574	0.4
189.06430	2.0
189.10133	0.4
192.05061	0.5
199.09549	0.4
201.06381	2.4
202.07172	4.6
203.07967	4.2
204.08784	10.8
214.07129	0.7
215.07921	2.8
216.08777	100.0
217.09537	7.9
218.10344	12.2
225.06393	5.2
226.07283	2.6
227.07982	1.9
228.08748	1.7
229.09491	1.6
230.06670	0.5
230.10307	14.1
240.08766	27.9
241.09520	0.6
242.10271	5.6
243.01622	0.6
244.08215	2.1
246.09824	16.0
255.09785	0.8
258.09824	6.7
265.07449	0.7
268.08197	0.9
283.08936	3.4
285.51953	0.4
286.09290	22.8
315.11932	0.8
333.13031	1.6
334.83774	0.5
343.11212	0.4
347.10867	1.9
361.12503	2.6
379.13550	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04972	0.6
56.96498	0.8
59.04406	0.4
62.82070	0.3
65.03864	0.8
67.05432	0.6
69.03345	1.9
70.06512	4.6
70.45415	0.4
71.04889	0.8
72.08067	1.0
74.02368	0.6
79.05431	0.8
81.03320	0.5
81.06952	0.7
82.06478	0.4
83.04889	0.4
83.76898	0.4
84.04427	0.6
84.08061	0.6
85.02824	0.8
85.06470	0.8
86.05975	2.4
86.09616	1.6
88.03924	2.1
91.05405	15.9
93.06980	0.8
95.04925	0.7
95.08502	0.7
97.02824	0.5
97.77155	0.4
100.07555	21.1
105.06988	0.7
110.07143	0.8
112.07575	6.8
116.07045	0.8
116.98592	0.5
119.04901	40.5
119.08589	0.6
120.08062	6.5
121.10084	0.4
122.05958	0.4
125.10724	0.6
130.06473	1.9
132.08067	0.6
134.04448	0.8
134.05988	0.6
142.04990	0.9
144.08063	0.5
146.05974	0.9
147.04396	100.0
148.04747	1.9
156.06529	7.3
161.05992	0.4
165.00798	0.4
175.03885	0.9
175.08684	0.7
178.04944	2.8
181.04938	1.9
182.06030	3.1
184.06030	5.7
188.06989	1.0
189.10173	0.5
197.01302	0.5
198.01494	0.8
200.07130	0.4
202.07059	13.8
207.06544	0.5
215.02290	2.0
215.10251	3.8
216.02560	1.5
216.04756	2.8
217.09625	0.4
228.06432	0.6
233.11293	19.1
235.10759	2.0
244.04181	0.5
260.05338	0.4
260.66260	0.4
262.05267	0.8
264.93234	0.4
291.03815	1.8
354.75693	0.4
361.08359	0.5
379.14844	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	379.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86047	1.3
53.03888	13.9
54.81926	1.8
55.01814	2.3
55.05457	27.7
57.03363	3.0
59.29000	1.6
61.02827	1.6
64.33674	2.1
69.03017	2.1
69.03358	42.8
70.06512	8.2
71.04919	17.4
73.06474	60.3
74.06001	1.6
74.10989	1.6
81.02927	1.9
81.03349	41.8
82.26382	1.5
84.60564	1.6
85.02834	98.6
85.03354	3.3
88.03915	3.2
97.02828	38.9
99.04388	69.6
101.05975	26.7
103.03243	3.2
103.03883	67.8
109.02832	38.9
111.04391	2.1
114.96510	1.6
116.07018	3.4
120.08044	3.2
121.08382	1.8
127.03885	100.0
145.04930	11.0
157.08592	3.9
172.51575	1.7
187.05997	6.5
199.09683	3.1
247.23642	2.1
259.11746	18.6
271.08090	2.4
328.46494	1.9
339.39069	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	11.3
57.05756	0.6
57.07000	0.5
67.05432	10.6
69.06981	2.3
72.08072	100.0
73.08398	0.5
79.05405	2.4
81.06981	9.1
83.08508	0.6
88.76965	0.5
89.05965	3.5
91.05407	2.1
93.06973	1.3
95.08544	6.0
105.06999	1.0
107.08482	0.7
109.10115	2.1
118.08605	24.9
131.57428	0.5
133.10155	0.6
195.12288	2.2
245.22444	0.7
279.35931	0.6
334.31018	1.3
380.31561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	3.7
56.55484	1.8
57.07013	60.2
59.06059	8.1
60.05581	1.9
69.06986	2.3
71.08543	31.6
72.78825	2.2
75.21592	2.8
75.50690	2.0
83.08524	3.1
85.10107	19.3
86.60577	1.9
89.05950	100.0
96.06232	2.0
97.10088	2.0
107.06995	10.8
123.39241	2.1
133.08568	22.5
177.11150	3.4
195.12248	30.3
363.30878	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0789
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
51.25902	3.1
55.28295	3.0
65.90535	3.4
92.10799	4.6
110.06409	3.8
127.12533	4.4
138.82419	4.0
381.07764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.079
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
51.59306	7.8
61.94242	9.5
151.39793	9.8
152.10179	10.4
381.08054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21580	0.8
56.96487	2.2
60.13079	0.8
61.01353	1.1
68.04941	1.1
69.03345	5.5
70.02855	1.5
70.06517	2.0
70.66860	1.0
71.01271	2.5
72.04419	1.0
73.02818	1.4
74.02331	1.3
80.02817	1.0
80.04959	1.1
81.03384	1.2
84.04426	2.6
85.02837	6.9
85.06457	1.6
90.05505	8.3
91.05401	4.9
95.04871	1.7
97.02805	13.0
98.02362	1.9
101.02287	1.2
105.03333	2.8
110.07115	1.5
115.05413	4.4
116.03378	1.7
117.05712	1.9
117.06963	2.5
118.06490	48.4
118.07316	2.1
119.04887	1.7
124.03941	2.5
124.07517	1.3
127.03885	1.9
128.24916	1.2
129.06949	10.0
130.06493	36.5
130.07396	2.2
132.08052	36.3
134.82393	1.2
134.99661	1.4
142.06499	2.0
143.07256	5.7
144.08055	33.0
146.05984	100.0
147.04399	2.7
152.03377	1.7
155.07286	1.4
156.08073	31.8
158.04454	1.6
158.08342	2.7
158.09587	1.4
159.09109	1.7
159.99933	1.3
160.07561	1.6
167.07306	2.1
168.08040	16.9
170.05954	14.3
170.09627	1.8
180.08023	2.6
183.09108	11.4
184.07561	2.2
184.09602	1.6
185.10722	1.3
186.03937	7.2
188.07039	59.6
197.08371	5.4
198.09099	1.9
202.08603	1.6
208.07567	1.8
210.09052	1.4
211.08511	1.4
220.11797	5.1
229.09715	22.6
232.04526	4.3
236.06947	1.3
254.08177	1.5
270.09979	5.7
272.09244	8.1
290.10211	15.3
317.11426	4.1
321.03897	1.1
335.12338	2.3
346.09140	8.3
363.11774	14.0
381.03275	1.3
381.07730	7.9
381.12796	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	381.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13400	1.9
53.00250	2.7
53.03878	4.5
53.07293	2.0
55.01802	4.6
55.05441	15.3
56.04973	4.1
56.96493	12.0
57.03367	12.3
58.69894	2.0
60.04443	15.7
65.03851	3.2
67.05431	39.1
67.77457	2.3
69.03354	18.3
69.06984	22.4
70.06510	46.5
71.04893	15.6
72.04443	2.7
72.08074	23.8
73.02817	2.9
79.05415	39.6
81.03331	5.8
81.06510	2.8
81.06976	55.1
82.06480	4.6
82.12771	2.4
83.08509	2.8
84.04416	17.2
84.08052	13.3
84.88282	2.6
85.02832	18.8
85.06452	3.9
86.09631	16.2
87.04395	3.1
91.05402	46.9
92.05766	3.0
93.06973	60.1
94.06505	20.8
95.04906	24.1
95.08540	55.5
97.02809	10.6
97.06448	13.0
97.10113	10.2
98.97458	3.7
100.70120	2.5
103.05464	4.4
105.03329	6.3
105.06968	56.5
107.04871	4.2
107.08527	30.6
109.06472	3.4
109.10110	14.2
110.07113	6.3
112.07559	2.7
115.05405	2.7
116.98572	5.2
117.06956	17.0
119.04894	5.6
119.08515	28.1
120.08051	16.0
121.05665	4.5
121.06459	88.0
121.10098	16.3
121.96567	3.5
122.05975	48.2
123.06306	12.0
123.08052	5.0
127.03851	5.1
127.07512	4.4
128.06143	9.3
129.06970	19.2
129.10114	4.1
130.04120	3.4
131.08528	50.3
133.05188	17.8
133.06171	2.3
133.10071	16.1
134.05986	15.3
134.99632	5.1
135.08078	2.7
135.11662	3.8
137.05989	19.1
140.07031	39.2
141.06967	20.1
142.07693	4.7
143.08543	79.3
144.04407	4.0
145.06407	14.2
145.10118	21.8
146.05962	12.5
147.04378	6.1
147.06325	4.1
147.08035	29.8
147.11661	4.6
149.05978	4.1
149.09602	6.2
150.06708	3.8
153.06926	10.8
154.07700	4.0
155.08525	100.0
156.09268	4.3
157.06360	4.0
157.10085	28.4
159.08046	36.5
159.11630	4.6
161.09610	6.3
162.05519	5.4
162.06763	5.6
165.05623	2.6
165.07002	11.9
166.07715	10.0
167.08485	15.4
167.10683	6.3
168.09253	3.6
169.10092	51.6
171.07962	23.8
171.11652	17.7
172.03908	54.3
173.04286	35.2
173.09566	23.7
174.05492	4.4
175.05641	3.5
179.08562	15.4
180.09279	11.3
181.05045	2.7
181.10092	64.1
182.10815	5.0
183.08051	3.5
183.11639	50.0
185.09604	4.6
185.13219	10.9
187.07581	5.9
187.11162	3.9
192.09245	5.4
193.10054	15.4
194.10905	5.4
195.11639	47.4
197.09572	15.9
197.13203	25.5
199.11098	11.6
199.14774	3.3
201.12576	4.6
204.06531	89.9
205.06857	51.6
206.08101	19.8
207.08362	5.3
207.11632	16.4
208.12460	4.5
209.04793	2.8
209.13194	16.4
211.11127	15.1
211.14671	5.0
212.11790	3.1
222.01959	3.9
223.06294	3.3
223.14775	70.6
225.12650	5.6
225.16359	54.2
227.17873	4.9
235.14780	6.4
237.02869	3.5
237.16338	17.9
239.10648	3.3
239.14328	4.2
241.07506	3.0
241.12207	4.2
241.15738	37.5
243.17426	32.4
253.15849	62.5
255.17357	40.6
257.15247	5.2
261.18533	3.2
269.15250	37.1
271.06015	4.7
271.16895	96.5
273.18411	41.1
277.07220	2.9
281.15363	15.4
289.17722	4.5
299.16336	62.4
317.17416	74.4
327.15833	13.1
332.13257	3.2
335.18484	10.6
339.10934	4.3
345.02463	2.8
345.13815	6.8
345.17392	5.2
346.14670	28.8
357.11981	3.4
363.17960	71.8
378.95221	2.7
380.26440	5.2
381.18970	15.6
381.26398	2.6
400.63571	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	381.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05460	16.1
57.03373	10.7
67.05421	41.7
69.06989	13.9
73.09301	8.3
79.05416	39.7
79.07884	7.5
81.06979	16.9
83.08538	9.4
91.05441	16.8
93.06992	34.9
95.04868	21.3
95.08521	41.0
97.06413	26.6
105.06972	12.9
107.06899	8.3
107.08527	11.3
109.06481	95.6
116.23953	8.8
119.08565	12.3
121.06467	43.5
121.10099	13.2
123.07973	11.4
131.08577	12.9
132.27426	9.2
133.10117	14.4
135.07988	13.9
151.56442	10.3
163.11206	20.0
165.12775	89.0
191.14287	17.7
261.22168	14.9
289.21524	100.0
381.26328	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.3
55.01808	1.0
57.03370	1.2
59.59402	0.2
61.02849	0.5
67.05417	0.3
69.03358	2.8
69.06982	0.4
70.06504	0.3
71.04919	1.0
73.02832	0.5
74.05992	1.4
74.09640	0.6
77.03863	0.2
78.32344	0.2
78.88651	0.2
79.05412	3.9
81.03342	2.9
81.07005	0.5
85.02833	4.1
87.00765	2.9
87.04390	0.2
91.05436	0.4
93.06988	0.5
95.04898	0.3
95.08571	0.3
97.02829	2.8
99.04397	0.6
104.04926	1.2
105.01843	1.1
105.03343	2.4
106.06510	13.7
106.07238	0.5
109.02849	1.6
115.03881	0.3
117.01871	0.3
119.04918	0.3
120.08076	0.9
121.08365	0.3
121.10136	1.0
127.03913	1.9
131.08435	0.3
133.05211	15.1
134.06003	100.0
135.06320	1.6
137.05992	0.6
139.11191	0.5
145.04918	0.5
146.06004	0.4
147.04414	0.4
157.12260	0.5
159.02919	0.6
183.30717	0.3
185.11777	0.5
202.03568	0.2
288.05273	0.3
346.37332	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1707
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.24177	0.7
55.01812	1.4
57.03355	1.7
57.07025	5.6
59.04926	3.3
61.02851	1.8
67.05438	6.0
69.03339	4.0
69.06975	4.3
70.02865	5.8
70.06499	1.1
71.04897	0.7
72.04053	1.3
72.04428	18.8
73.02821	4.2
74.08546	0.7
75.90505	0.7
81.03351	1.2
81.06967	1.0
83.04911	1.1
84.04414	0.9
84.08051	1.3
85.02821	9.6
85.06461	10.5
86.09640	0.9
90.05484	100.0
92.10413	0.9
95.04916	6.9
96.08032	1.3
97.02818	4.4
98.02355	16.8
99.08120	0.7
100.03902	2.9
103.07520	6.7
105.03384	0.8
109.02827	1.1
113.05962	3.0
114.15781	0.8
116.03407	16.8
118.06498	1.5
119.06837	1.0
120.08064	5.3
124.07549	19.8
130.06494	1.5
131.06937	1.4
132.08003	1.2
142.08618	6.0
144.08057	1.2
145.08379	1.6
146.05980	5.9
147.06305	2.6
156.08040	1.1
156.10236	1.2
160.09631	1.8
162.34445	0.7
166.08667	1.5
169.08418	0.8
174.11241	1.1
184.09668	19.1
188.07104	1.6
189.07329	1.6
202.10725	24.6
220.11766	82.7
248.12347	1.0
381.12839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	1.2
55.05432	1.7
55.58644	1.0
57.03365	2.6
59.04925	4.7
61.02842	2.4
63.65670	1.0
65.03866	1.7
67.05420	1.8
69.03337	4.7
69.06976	8.6
70.06496	5.0
71.04905	40.4
71.33374	1.0
73.57350	1.1
79.05421	14.9
79.39049	0.9
81.03313	2.2
81.06976	38.7
83.04892	1.4
83.30795	1.2
85.02831	14.5
88.81356	1.1
91.05391	8.6
93.06985	18.9
95.04900	2.1
95.08533	20.7
97.02785	2.1
97.06459	10.0
97.10061	1.4
98.57404	1.0
103.05448	1.8
105.06982	8.2
106.18719	1.2
107.08524	13.6
109.02876	1.0
111.04381	1.4
111.11665	5.8
119.04888	6.8
121.06466	10.0
121.10089	83.5
123.11661	18.5
125.05917	11.1
125.09589	1.9
127.03815	1.4
129.84517	1.1
130.04114	4.3
133.06451	1.6
134.03574	1.3
134.05959	1.8
135.04375	5.1
137.05957	26.7
139.11147	45.1
147.04381	15.1
149.05977	4.5
149.09622	11.1
150.06726	6.9
157.12201	46.2
161.05952	4.2
162.06732	14.9
167.10632	29.9
181.06487	1.4
185.11688	100.0
193.04868	2.0
203.12724	19.9
263.03079	1.2
283.05560	1.3
297.07440	7.1
299.09149	2.4
317.10220	1.6
329.10333	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	382.2746
Annotation	N-Formylcyclomicrobuxeine
Peak:m/z	Relative Intensity
51.24198	1.0
63.28511	1.3
77.22708	1.5
89.05956	2.2
89.98881	1.4
94.03287	1.2
95.03404	3.1
122.05748	1.6
136.07310	2.2
146.89581	1.4
161.76506	1.3
167.13702	1.3
178.12074	1.6
190.19774	1.2
192.13544	1.3
224.69923	1.4
265.92218	1.3
283.28247	1.3
298.37930	1.3
318.27600	12.5
382.27417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	5.3
56.04974	44.2
57.03363	1.5
57.07004	1.0
62.93631	1.0
65.03874	0.8
67.05428	19.9
69.06987	6.0
71.08544	1.0
74.05991	100.0
74.48999	0.9
79.05408	5.6
81.06972	21.3
83.08524	1.4
84.04409	2.2
87.29836	0.9
91.05413	3.8
93.06983	5.9
95.08539	14.8
102.05475	61.3
105.06986	3.8
107.08541	1.7
109.10098	4.3
119.08532	1.4
120.06533	74.4
121.10140	1.2
123.11634	1.4
123.59109	1.2
133.10097	1.2
137.36385	1.1
145.56183	1.1
161.77675	0.9
212.27167	1.1
262.88190	1.1
263.23685	1.3
274.85120	1.0
364.28302	1.7
397.11996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	1.7
57.03367	3.7
59.85328	1.7
61.02858	7.3
61.58178	1.2
64.59097	1.6
69.03348	13.9
70.02853	2.0
70.06507	34.0
73.02812	2.0
74.02351	3.7
76.56575	1.9
78.26987	1.9
81.03332	8.8
82.02885	2.8
84.04427	10.9
84.08076	7.5
85.02834	42.5
91.89998	1.5
94.06495	1.8
95.06022	2.8
97.02818	15.6
98.09664	1.6
99.04368	2.3
103.03884	2.9
106.06511	1.8
109.02825	2.6
109.36883	1.5
110.07117	11.0
112.08666	7.8
115.08658	2.9
116.07037	16.2
116.98567	2.2
118.06470	11.9
120.08059	9.5
127.03890	6.4
130.06491	100.0
132.04402	32.3
132.08069	3.9
136.06166	9.7
136.07541	2.4
143.07231	5.9
144.06900	3.5
144.08038	37.7
145.07596	23.0
146.05984	18.8
148.06337	2.0
148.07578	6.8
148.78233	1.6
154.06479	8.0
156.06828	2.2
156.08072	3.8
157.07590	84.8
158.05983	72.1
159.09140	9.3
160.07571	7.2
162.07738	1.9
169.07584	10.6
170.06096	2.0
171.09100	12.1
172.07539	13.0
174.05437	7.3
175.08626	54.2
176.07076	2.5
180.05142	3.2
181.07632	7.8
181.09712	2.3
182.08372	8.8
182.09932	2.4
183.09154	24.9
184.07559	2.3
185.07065	14.8
186.05553	3.8
187.08675	2.0
192.05121	3.9
196.07547	1.9
199.08563	13.5
199.73106	1.8
200.07025	25.3
203.08124	82.2
204.06563	2.8
204.08478	2.4
207.09105	2.2
209.07053	10.5
209.08923	2.1
210.09267	1.7
211.08621	2.1
215.08089	2.3
216.06619	1.7
216.08861	2.6
217.09731	19.0
221.09174	32.2
227.08160	8.5
228.06519	3.7
231.07660	3.7
245.09149	15.0
251.00873	1.8
251.08861	3.5
254.08972	1.8
257.09204	2.2
261.14359	1.8
263.10229	29.5
268.14029	2.9
269.09103	1.8
274.10474	1.8
275.97345	1.8
329.11026	1.9
341.14914	1.8
347.12488	6.4
348.10721	7.1
365.13290	18.0
383.08353	2.0
383.09558	2.4
383.14328	23.6
383.20206	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	383.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04959	1.1
56.96495	0.7
57.08568	0.5
68.04952	1.6
69.03361	0.6
70.06509	100.0
71.04884	0.7
72.08096	0.7
77.46852	0.6
84.03942	1.4
84.04427	28.3
84.08067	5.2
85.02814	3.2
85.04744	1.0
85.07586	0.7
92.10850	0.8
95.06010	10.8
97.92663	0.7
98.05962	1.1
98.97494	1.4
108.74780	0.6
110.07124	7.5
110.97518	0.7
111.05509	0.8
112.08669	20.9
113.07083	1.5
115.08631	12.8
116.07045	41.4
116.98526	1.2
119.01842	0.9
122.07095	0.7
128.98595	3.0
129.06503	2.7
129.10146	1.2
134.99634	1.2
136.06174	4.2
136.07491	2.6
138.09103	0.9
139.04967	2.5
140.08189	3.3
146.99658	1.6
154.06155	1.5
180.11278	1.0
181.09656	11.0
208.10802	1.0
209.09123	8.2
210.02858	1.0
213.12308	2.6
227.28683	0.7
240.14497	11.2
251.11351	2.7
252.07344	0.8
253.09329	0.8
268.13986	11.8
286.14996	7.9
349.14905	0.9
366.17786	0.8
383.20285	58.1
384.08054	0.9
384.20844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.206
Annotation	Xerophilusin V
Peak:m/z	Relative Intensity
50.06198	1.8
52.78889	1.9
55.01797	2.0
55.05435	5.0
57.03362	2.7
59.17598	1.8
67.05429	22.3
69.03345	4.7
69.06968	9.2
70.06503	3.1
71.04899	2.7
75.38265	1.7
79.05410	32.9
81.06970	40.1
83.04897	5.1
84.04379	2.3
85.02831	5.1
91.05408	32.2
92.63846	2.3
93.06966	58.2
95.04893	14.4
95.08522	41.8
97.06437	11.9
103.05385	2.4
105.06976	48.7
107.04901	8.8
107.08533	54.7
109.06454	9.6
109.10101	63.4
111.08006	3.6
117.06975	12.3
119.04873	3.0
119.08539	43.4
121.06431	11.2
121.10091	33.5
123.08005	8.8
123.11661	2.6
125.09578	9.0
128.06172	2.7
129.07002	15.3
130.07712	2.6
131.08527	35.0
133.06456	3.9
133.10092	18.1
135.08008	20.5
135.11658	10.9
137.09607	23.1
141.06941	2.4
142.07753	3.1
143.08562	19.9
144.27884	2.4
145.06299	2.3
145.10121	29.0
147.04402	3.4
147.08017	10.0
147.11682	15.7
149.09587	14.1
153.09106	15.1
155.08557	10.0
156.09309	3.9
157.10120	26.7
159.07973	3.9
159.11641	21.5
161.09529	14.6
161.13255	3.5
163.11122	2.9
165.09044	10.1
167.08490	3.4
167.10599	5.0
169.10069	16.0
171.08075	2.9
171.11639	30.3
173.09583	12.0
173.13235	10.9
175.11157	10.4
180.09148	2.4
181.04987	4.0
181.10101	17.9
183.11641	15.9
184.04042	2.9
185.09489	8.8
185.11716	2.2
185.13194	10.3
187.11072	3.3
187.14673	3.5
193.10060	4.8
195.11656	16.1
196.12489	2.8
197.13193	11.6
199.11118	16.8
199.14807	8.2
201.12682	3.0
208.12384	3.9
209.11494	2.8
209.13280	3.8
211.11496	2.3
211.14749	10.7
213.12682	12.9
213.16261	3.1
215.14297	2.9
217.12271	3.9
222.13983	2.7
223.14713	3.3
225.12779	2.6
225.16312	5.1
227.14313	3.1
227.17917	14.1
231.13748	2.6
232.14415	2.4
237.16301	24.8
239.14198	2.9
239.17853	4.5
243.17288	3.8
253.15775	4.2
255.17400	55.4
257.15140	3.3
257.19022	2.3
261.35144	2.0
265.15799	14.2
271.16876	7.8
273.18372	53.6
273.21118	2.7
283.16812	36.3
291.19504	16.5
299.16254	11.8
301.17883	52.8
310.01166	2.2
311.16464	14.5
319.18964	20.5
329.17361	46.7
347.18448	100.0
365.19507	51.2
383.20264	15.5
393.45898	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	383.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00262	1.7
55.01809	2.6
55.05456	17.1
57.03368	7.9
57.07007	9.7
58.47424	1.6
59.25909	1.5
61.28869	1.5
67.05426	24.2
69.06991	20.8
71.04906	2.2
71.08540	17.5
79.05407	17.6
81.06975	40.5
83.08523	6.6
85.06486	2.6
86.09604	2.7
88.12677	1.9
91.05402	8.4
93.06981	23.4
95.04898	10.1
95.08535	25.1
97.06463	8.2
99.08030	7.8
105.06967	15.0
105.29169	1.7
107.08553	17.0
109.06467	43.9
109.10095	8.4
119.08526	10.0
121.10133	7.4
123.08037	3.1
123.11625	3.0
133.10132	3.1
135.11665	2.0
145.10155	1.9
148.92325	2.1
165.11447	3.6
165.12729	61.1
179.14316	2.4
184.07289	2.4
193.15919	2.0
197.98132	2.3
235.16875	13.2
291.23126	100.0
309.24185	13.6
343.22073	1.9
344.35150	1.7
360.04880	2.0
365.26627	7.8
383.27835	39.1
384.28104	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	383.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.6
54.81485	0.8
55.01809	1.4
55.05449	13.4
57.03370	4.7
57.07012	4.9
60.43276	0.6
65.03854	0.7
67.05429	17.1
69.03350	1.5
69.06989	15.0
71.04904	3.2
71.08541	14.6
75.04379	1.5
79.05404	12.4
81.06974	30.9
82.07307	0.8
83.04890	1.0
83.08531	4.1
85.06458	4.7
91.05402	9.5
92.46179	0.6
93.06972	20.5
95.04891	10.4
95.08535	20.3
97.06466	7.4
97.10028	0.7
99.08026	4.8
105.06974	11.0
107.08539	14.0
109.06470	54.3
109.10093	5.4
111.08036	0.9
111.11639	0.6
117.07034	0.8
119.08543	5.2
121.10104	5.2
123.08017	4.2
123.11648	3.9
131.08513	1.1
133.10098	5.3
135.08022	0.9
135.11681	0.9
147.11682	3.5
149.13203	1.0
151.11145	1.7
153.12776	0.8
157.10176	0.7
161.13159	0.8
165.12715	66.0
165.41449	0.7
173.13171	1.1
175.14839	1.1
176.22409	0.9
179.14400	1.1
199.14767	0.8
235.16899	12.4
263.23663	0.7
291.23117	100.0
292.23544	2.9
308.09360	0.7
309.24161	1.6
313.03806	0.7
365.26993	1.6
383.27850	34.1
384.28098	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96407	1.1
64.33253	1.4
69.06981	6.1
72.08066	12.2
86.09628	100.0
90.86606	1.3
103.42722	1.4
103.83632	1.3
119.19737	1.3
127.87012	1.6
320.90613	1.5
324.32544	3.0
352.32257	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	384.115
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
51.70224	0.7
54.81779	0.8
55.01816	3.9
55.05445	1.1
56.96508	1.3
57.03380	4.9
58.99518	2.3
61.02861	1.2
69.03355	4.6
69.06992	1.0
70.06511	4.6
71.01264	1.6
71.04938	0.9
72.08078	5.9
73.02827	1.6
74.05948	0.9
81.03394	0.9
84.04441	4.1
84.08070	1.6
85.02818	5.4
86.09628	0.9
86.98974	1.2
88.02119	0.8
90.05477	2.1
91.05415	1.2
92.10877	2.7
97.02815	1.7
99.00750	1.4
105.00068	1.2
110.07103	6.8
115.10082	0.9
119.04881	1.7
120.08073	5.1
121.05069	2.1
127.03899	1.1
134.66754	0.9
135.06602	1.4
136.05135	1.7
136.06163	36.8
137.04544	1.1
147.04379	4.7
148.06149	13.1
162.07724	64.5
166.08656	1.3
188.05656	23.3
192.05133	31.6
197.98497	5.0
206.06676	10.5
213.12399	1.1
214.98862	1.2
215.99548	4.5
234.06198	15.1
252.07224	100.0
253.07481	1.4
347.46408	1.0
360.99039	4.1
384.11429	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	384.1225
Annotation	Phe-Asp-Cys
Peak:m/z	Relative Intensity
53.03895	0.5
55.01811	0.9
55.05454	4.9
55.05888	0.5
56.04974	1.0
56.96502	0.6
57.03359	0.9
60.06065	0.5
60.83020	0.4
61.02828	0.6
69.03358	4.5
69.06996	1.1
70.02876	1.0
70.06513	51.5
70.39957	0.4
71.04901	0.7
71.06850	3.0
72.08082	0.9
73.00564	0.5
74.00576	0.5
74.05977	1.0
75.05527	0.8
79.05410	0.5
81.03331	2.3
81.06983	1.1
82.06494	0.5
83.06012	0.7
83.08542	6.5
84.04430	3.2
84.08069	5.8
85.02829	6.4
86.09636	8.8
87.00752	2.6
88.03921	9.3
89.03836	0.7
91.05408	16.2
93.06976	1.1
97.02822	2.8
97.06461	0.6
98.02356	3.5
98.06000	0.6
98.97509	1.0
99.04369	0.8
99.08012	0.5
101.09580	3.9
102.05458	0.6
103.05402	4.0
105.01772	1.7
107.08507	1.0
109.02818	1.2
109.06432	0.6
110.07136	4.9
112.08679	0.6
114.38066	0.6
116.07040	9.7
116.98610	1.0
117.30298	0.5
119.07287	2.2
119.10657	0.9
120.08062	100.0
121.06430	0.8
121.08369	0.7
127.03883	3.6
128.98610	0.6
129.10237	1.3
130.06490	29.6
134.05984	2.2
134.99574	0.6
142.08664	0.9
143.11780	2.6
144.08096	8.0
145.02829	2.1
145.04912	0.9
146.06058	0.5
146.99615	0.6
147.04356	0.5
150.05539	0.5
151.03850	0.7
169.07579	5.6
172.07539	6.9
175.08644	16.1
176.07088	2.0
177.05435	0.9
181.04958	0.7
190.08612	8.2
200.07094	1.1
201.00748	0.6
213.12321	16.2
214.12645	3.0
217.09703	4.2
218.08134	2.0
219.01770	0.7
235.10739	36.9
236.11139	0.7
263.10168	5.2
266.39291	0.6
269.09573	0.8
381.23480	0.5
384.16397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08403	0.2
53.00263	0.2
53.03890	0.6
55.01811	1.1
55.05452	11.6
55.05715	0.5
57.03374	2.0
57.07006	2.4
57.44011	0.2
58.99513	0.4
59.04198	0.2
59.04933	2.1
60.79121	0.2
61.02855	3.1
65.03871	0.3
67.05431	41.6
68.99744	0.2
69.03352	6.5
69.03694	0.4
69.06987	2.4
70.06512	3.3
71.01261	0.3
71.04900	2.2
73.01079	0.3
73.02837	1.1
73.06456	0.6
74.00573	2.8
79.05415	2.9
81.03344	2.6
81.06978	100.0
83.04896	1.5
83.08546	4.2
84.04430	0.5
84.08057	0.3
85.02832	17.5
85.06477	1.5
86.00586	0.3
87.00745	1.0
87.04409	0.5
88.03919	1.1
91.03871	0.4
91.05422	1.1
93.06973	1.4
95.04908	0.6
95.08538	3.1
97.01001	0.3
97.02834	5.4
97.06464	1.2
97.10116	3.4
98.97502	0.3
98.98974	5.0
99.04395	1.5
101.34908	0.3
103.05367	0.4
105.01826	1.0
105.06970	1.3
107.08540	3.7
109.02828	1.5
109.06459	0.9
109.10117	3.8
111.02621	0.4
111.04382	0.3
111.08025	1.1
119.08524	1.6
121.06471	1.7
121.10096	1.0
123.02566	0.3
123.04379	0.3
123.08062	1.1
123.11664	93.8
124.11990	0.3
125.09606	0.3
127.03885	3.3
127.04724	0.4
129.07030	0.3
131.08543	0.5
132.05696	0.3
133.10104	1.5
135.08049	2.1
137.04172	0.5
137.05965	0.3
137.09596	4.1
140.01575	0.3
141.12724	72.3
142.13063	0.3
143.08554	0.5
144.09306	0.4
145.04951	1.5
145.10120	1.3
147.08011	2.4
147.11690	0.5
149.09595	1.3
151.03864	0.3
151.11179	0.5
155.05237	1.0
156.09337	0.5
157.10048	0.4
158.07291	0.3
159.02818	0.3
159.07880	0.3
159.11688	1.2
161.04106	0.3
161.09586	0.4
163.05762	1.0
165.03661	17.3
166.03070	0.4
167.01631	0.3
167.05196	0.4
168.01096	6.1
169.12195	0.5
170.10898	0.4
173.09590	3.2
174.10405	2.1
175.11137	0.3
177.07320	0.4
177.09079	1.0
179.05217	0.4
183.04759	0.6
184.04254	0.3
187.11304	1.2
187.13263	31.8
188.12016	1.7
188.13533	0.3
189.07387	0.4
189.09113	1.0
189.12717	0.3
191.05249	2.4
193.03125	0.5
195.08298	0.4
201.09186	0.3
202.09923	0.4
203.08891	0.5
205.12370	0.4
205.14299	6.1
207.08366	1.7
213.12410	0.5
214.01653	4.4
217.12328	0.8
219.04739	2.5
221.09909	3.0
223.07788	0.3
227.10504	0.3
231.08446	0.3
231.13742	2.2
241.12125	0.3
247.13356	0.3
249.09410	15.9
250.09697	0.6
267.10449	7.5
277.08762	0.3
287.15057	0.2
302.12070	1.2
308.09488	0.5
310.07355	2.8
320.13083	7.5
330.11374	0.6
338.14178	1.9
348.12595	3.6
349.10706	0.4
361.76816	0.3
366.13635	6.2
384.14706	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	384.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.4
53.44786	0.7
54.81526	1.0
55.05453	58.6
57.03365	1.5
57.05093	0.7
58.99520	1.4
60.05600	1.1
61.02855	3.6
64.33270	0.9
65.31925	0.8
65.66061	0.8
69.03355	10.0
70.06510	17.6
71.04932	0.8
71.06832	1.4
73.02822	0.9
76.02150	1.0
81.03345	6.3
83.08541	100.0
84.08842	1.1
85.02338	1.6
85.02834	30.6
86.09640	4.6
86.98983	5.3
88.02167	1.1
91.03866	1.4
96.80740	1.0
97.02829	13.8
99.04395	7.5
100.92255	0.9
101.09598	15.9
103.03872	8.9
103.35841	0.8
105.00063	7.1
107.74548	0.8
107.75259	1.0
108.06393	0.8
109.02832	3.5
110.07140	3.8
116.07072	1.6
127.03882	15.6
127.31714	1.2
131.00343	0.8
145.04933	7.0
156.07678	1.6
163.06041	1.8
167.07059	1.2
205.08913	31.9
213.12331	5.1
214.12596	1.0
222.11552	34.7
282.83832	0.9
287.93448	1.1
289.08994	0.9
307.10266	2.1
384.16721	3.8
409.91211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47062	0.8
65.03859	2.0
66.62525	0.7
67.05423	1.7
69.03346	1.6
70.20886	0.7
79.05406	1.2
82.58906	0.8
91.05408	1.4
92.04922	16.0
93.06946	1.4
95.08527	1.3
99.41309	0.9
105.06951	1.7
119.08514	3.7
120.04418	100.0
131.08524	4.5
138.05417	1.3
140.17267	0.9
141.07002	1.3
143.08539	5.8
154.07782	1.0
155.08521	1.7
156.09286	1.9
159.08037	1.7
159.11601	1.4
166.07816	1.0
168.09300	3.8
169.10078	5.3
171.11597	1.0
172.08794	1.7
178.07751	1.6
183.11676	2.0
185.13181	1.5
187.11087	1.1
193.10054	1.0
196.08876	1.2
199.11145	5.9
201.12659	1.0
211.11148	3.4
212.62770	0.9
217.12102	0.9
229.12172	6.8
247.13307	1.6
366.16635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	5.8
55.01812	7.2
55.05466	5.1
55.29900	0.5
57.03377	7.8
61.02863	8.9
67.05412	0.8
68.99706	3.8
69.03351	45.3
69.12216	0.6
70.06516	3.6
71.04913	5.7
73.02817	5.6
79.05418	1.2
81.03338	30.7
83.01254	1.1
83.08544	4.7
84.04427	3.7
84.08087	0.8
85.02829	100.0
87.00755	53.4
87.04379	1.2
91.03876	0.9
91.05394	1.2
91.41100	0.6
92.22361	0.6
95.04915	0.8
95.08534	0.8
97.02831	31.6
98.97534	1.4
99.04392	13.2
103.03880	1.1
104.10663	0.7
105.01812	46.0
105.06982	0.7
107.04940	0.7
108.02046	1.1
109.02828	23.8
109.06471	0.7
111.04377	0.7
112.76632	0.6
116.06866	0.6
117.01791	3.0
120.08044	2.6
127.03876	55.8
128.04211	0.9
129.01804	3.6
130.04988	1.1
131.08562	1.0
134.99600	0.8
136.07562	0.6
141.05394	1.0
145.04950	14.0
147.02866	0.9
148.05986	0.8
149.09647	0.9
151.03897	25.6
151.04999	3.3
159.02864	6.7
164.70241	0.7
189.03857	1.3
209.11700	2.7
213.03877	1.4
227.12718	0.7
231.04942	12.5
237.02904	0.7
242.65430	0.6
249.06049	5.3
257.32736	0.7
269.14804	0.8
331.13788	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	384.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	2.9
54.36290	0.5
57.03366	1.4
61.02841	2.5
64.33522	0.5
69.03353	12.3
70.05089	0.5
70.06486	1.3
71.04908	4.5
72.08076	0.6
73.02813	1.2
78.58884	0.6
81.02853	0.6
81.03333	15.6
81.14871	0.6
83.01251	0.6
83.33446	0.5
85.02827	67.5
87.04356	0.7
87.45954	0.6
92.10844	0.7
97.02825	20.5
99.04386	51.5
103.03877	100.0
104.04191	0.8
108.68951	0.5
109.02827	14.9
112.96710	0.7
127.03875	89.8
127.21928	0.6
128.04213	0.8
138.94824	0.6
142.70050	0.7
145.04933	34.2
163.05984	25.3
187.05978	3.3
200.14981	0.6
205.07027	1.1
271.08023	3.5
285.73642	0.8
289.09128	3.1
307.10132	6.6
328.99390	0.6
349.14755	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	3.2
54.01603	1.1
55.01810	1.7
55.05457	13.5
56.96521	1.2
57.03365	5.9
59.22741	1.3
61.02845	2.0
62.45864	1.2
66.60780	1.5
67.05445	1.4
69.03057	1.5
69.03355	24.2
69.07005	1.7
70.06513	100.0
71.04890	6.6
71.06837	7.2
72.08061	3.0
73.02820	2.2
74.05979	1.4
74.99770	1.4
79.05424	1.7
79.21148	1.4
81.03337	16.3
81.06969	2.5
81.71883	1.3
83.08541	26.0
84.04424	8.3
84.08051	7.3
85.02833	84.4
86.09630	13.7
87.04401	2.1
90.82278	1.3
91.05390	2.4
92.64334	1.7
97.02828	35.4
99.04389	47.2
101.09599	3.4
103.03883	71.2
107.73077	1.5
108.85638	1.2
109.02829	16.4
110.07084	10.0
115.03904	1.9
116.07035	14.8
117.03350	1.8
120.08041	5.6
123.04350	1.8
127.03883	90.3
129.10190	1.7
136.07558	1.7
143.11780	3.4
145.02820	7.3
145.04948	25.7
149.05975	1.5
163.04771	1.5
163.06015	12.3
177.05435	2.3
205.07138	2.4
205.08908	5.7
213.12321	23.1
214.12619	8.0
222.11412	5.2
271.08115	2.3
289.09244	10.8
307.10208	19.5
384.18942	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04543	4.5
54.81597	5.1
55.05443	24.1
57.06987	6.9
58.99502	24.5
67.05425	72.0
69.06985	10.0
76.02136	67.1
76.56385	5.5
79.05398	27.5
81.06970	83.9
86.98951	10.7
91.05380	9.1
93.06953	26.1
93.09035	5.8
95.08524	62.5
105.00049	22.7
105.06974	7.5
107.08533	7.9
109.10108	24.6
114.37237	5.2
119.08472	7.8
120.16051	5.8
122.02674	100.0
122.51188	5.6
184.07336	8.1
184.73500	6.1
198.11380	6.0
225.19501	5.4
273.88242	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	384.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15375	0.4
55.05436	1.9
57.06741	0.6
57.07010	17.3
58.75603	0.5
67.05409	0.7
69.06982	0.5
71.81144	0.4
81.85023	0.5
91.05405	2.7
93.06948	2.4
100.07445	0.5
100.92670	0.4
102.50058	0.6
105.06969	13.3
107.04876	0.9
107.08538	3.4
119.08530	23.4
121.05674	0.5
121.06458	4.4
121.10095	41.7
133.06450	3.0
133.10088	21.0
135.07947	0.8
135.42516	0.5
142.07747	0.8
142.49980	0.5
145.10133	1.8
147.08092	1.9
147.11658	32.3
151.11131	0.6
157.10104	2.4
160.08829	1.9
163.11157	2.3
175.11154	17.6
177.12732	0.8
271.62650	0.5
283.16858	100.0
284.17151	3.0
339.23099	47.0
340.23395	2.3
350.94199	0.5
353.19724	0.8
367.68527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12284	0.5
51.80497	0.4
69.55833	0.5
72.77869	0.5
88.09943	0.6
96.50361	0.6
171.87892	0.5
208.93698	0.6
246.31621	0.6
270.94052	0.6
354.34155	0.6
383.68234	0.6
384.30746	100.0
385.31003	2.9
403.15585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71979	0.3
56.96518	0.3
58.37129	0.3
84.40439	0.3
98.97549	2.6
101.00832	0.3
116.98586	3.2
119.01879	7.2
134.99635	2.6
137.02921	4.5
153.00841	0.7
158.99925	0.3
177.00922	19.6
178.00999	0.7
179.00751	0.4
182.99808	0.3
195.01961	0.5
201.00902	1.3
217.04089	4.3
219.01973	33.0
220.02151	2.3
221.02074	0.3
225.01010	1.6
232.94975	0.4
234.99940	0.4
235.99939	0.4
236.99712	0.4
243.01892	4.2
256.95007	1.4
258.99811	2.5
260.00015	1.2
261.03006	100.0
262.03101	6.9
263.02872	0.5
277.00916	3.9
277.77069	0.3
278.01086	3.5
279.00723	1.5
279.22278	0.4
282.99979	3.1
284.00006	2.7
284.04620	1.7
284.99811	0.5
298.95920	0.4
301.01001	10.8
302.01129	10.2
303.00870	2.0
319.02066	0.7
320.02203	0.7
326.01001	0.4
342.95093	2.1
343.02008	1.8
344.02124	1.7
361.03177	0.5
367.02301	0.5
385.03073	7.2
403.04199	14.0
404.04315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1286
Annotation	S-Adenosyl-L-homocysteine
Peak:m/z	Relative Intensity
56.04965	0.3
63.38890	0.2
66.23069	0.3
70.06516	1.2
75.29612	0.3
77.51624	0.3
84.64029	0.3
86.09626	5.0
87.09962	0.3
88.02140	71.8
96.42516	0.3
97.02813	3.3
99.04388	0.4
102.03699	0.4
110.07123	1.6
111.07375	0.3
116.07072	0.3
119.03506	0.6
119.74933	0.3
120.04373	0.4
120.10701	0.3
129.45761	0.3
134.02681	52.9
134.14342	0.3
135.02879	0.3
136.06163	100.0
137.04539	1.2
137.06602	0.9
196.03070	0.6
232.06311	0.4
250.07443	4.5
325.10944	1.4
351.55289	0.3
351.59598	0.3
385.12854	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	385.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75905	1.2
53.03889	6.1
55.01810	1.3
67.05435	2.2
69.03352	3.6
70.46075	1.2
73.95613	1.2
79.05374	2.5
81.06962	2.1
87.29097	1.4
95.04889	17.9
97.02821	2.0
105.03339	100.0
105.06973	6.0
107.08511	1.7
109.02836	3.3
113.15344	1.4
119.08549	2.9
121.06486	2.2
131.08536	2.4
135.08031	2.9
142.07793	1.9
142.97824	1.4
143.08540	2.7
151.03842	2.4
156.09334	3.2
157.10123	3.0
159.08031	6.5
171.07959	2.0
171.11603	2.3
172.08827	8.9
173.09679	1.7
175.07568	2.1
184.08746	3.2
185.09558	2.9
187.11215	2.9
199.11188	9.1
203.10574	11.5
209.09572	1.8
212.08344	2.2
215.10635	31.3
227.10666	3.1
245.11662	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	385.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65151	0.5
55.01803	1.1
56.01334	0.6
56.96510	0.6
57.07011	6.8
59.04938	5.8
67.05427	8.3
69.06992	6.9
70.02878	5.8
70.06496	1.5
72.04426	16.3
73.02822	3.7
83.04903	0.7
84.04422	0.8
85.02831	1.1
85.06465	12.0
86.09624	1.6
87.08044	1.4
88.52639	0.6
90.05479	100.0
91.18151	0.6
93.06935	0.5
95.04895	11.0
96.08066	3.0
98.02345	15.6
100.03899	1.5
103.05380	1.6
103.07528	7.4
107.04876	0.8
112.07520	0.8
113.05956	4.9
116.03398	16.3
120.08059	34.5
120.08937	1.3
121.08360	1.6
124.07551	20.6
131.06973	0.7
142.08620	9.9
147.49083	0.6
156.10182	0.9
160.09673	1.0
166.08638	6.1
174.11208	2.4
184.09634	22.0
202.10730	26.3
220.11760	82.2
221.11964	0.9
222.87920	0.7
253.07516	1.0
390.76709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2194
Annotation	Lys Thr His
Peak:m/z	Relative Intensity
54.81652	0.8
56.62214	0.7
60.17857	0.6
77.00685	0.7
78.96834	0.8
90.94376	0.9
96.64664	1.0
99.05917	0.8
120.08138	1.0
122.41314	0.8
151.03865	3.7
156.42007	1.1
159.13049	0.9
161.06012	1.9
163.11159	1.2
181.12352	1.0
207.73906	0.8
257.06894	1.3
385.21893	100.0
386.22391	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2192
Annotation	Lys Thr His
Peak:m/z	Relative Intensity
50.24005	0.5
65.03864	1.0
67.05402	0.9
69.06947	0.8
70.06493	1.0
77.70515	0.5
95.04901	0.8
100.02084	0.7
107.04873	0.8
108.02073	1.0
117.03267	0.7
151.03886	25.0
151.05005	2.7
152.04230	0.9
235.60620	0.7
288.27655	0.7
385.21875	100.0
386.22125	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00250	0.8
53.03893	5.2
55.01823	3.2
55.05445	19.3
55.05673	1.1
57.03371	30.7
57.07015	1.5
59.04945	0.8
61.26684	0.7
65.03876	1.5
67.05424	57.2
69.03362	5.4
69.06985	27.8
69.07334	1.3
71.04912	12.5
75.04379	1.1
77.03861	0.9
79.05402	77.0
81.03332	1.4
81.06969	77.7
83.04903	3.5
83.08527	11.3
85.06455	10.4
85.06860	0.6
86.30153	0.8
89.05960	1.7
91.05400	67.1
92.64331	0.8
93.06969	100.0
95.04895	11.9
95.08529	76.8
95.09160	1.5
97.02853	1.3
97.06453	13.3
97.10127	1.9
99.08054	4.5
103.05397	1.7
105.04445	1.0
105.06963	69.5
107.04921	1.9
107.08529	68.7
109.06453	10.3
109.10090	15.9
109.10750	0.9
111.08054	5.2
115.05408	2.9
115.07540	5.2
117.06960	28.5
119.08531	48.9
121.06495	4.2
121.10096	36.2
123.08028	6.0
125.09605	3.4
127.07551	1.0
128.06168	1.9
129.06963	13.7
130.07791	4.2
131.04953	1.4
131.07004	3.6
131.08521	47.5
133.10081	24.0
133.11006	1.2
135.08073	4.8
135.11624	9.5
137.09637	1.6
141.06995	1.4
142.07718	0.9
143.08511	16.7
143.09470	0.9
145.10094	45.6
145.11249	1.5
147.08078	1.2
147.11652	17.5
149.09595	7.7
149.13222	1.1
151.11224	1.0
155.08595	3.7
157.10063	11.2
159.11656	26.7
161.13246	9.2
163.11203	4.6
163.14799	1.6
165.12805	0.9
169.10124	5.0
171.11696	4.3
173.13210	13.5
175.11118	1.0
175.14836	3.6
177.12784	1.8
177.16295	6.4
181.45749	0.8
183.11685	3.2
185.13202	21.2
187.14763	34.9
187.16383	1.3
189.12741	1.4
191.14313	3.3
197.13283	1.7
201.16393	3.7
203.14272	10.2
205.15831	22.9
219.17366	11.7
229.19559	1.4
239.17857	6.8
257.18896	13.0
266.61401	0.8
275.19989	30.9
279.19525	1.0
293.21011	1.3
297.20630	2.0
349.23593	15.5
367.24667	6.9
374.33511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29723	0.4
55.05443	1.0
55.23123	0.4
56.96500	23.7
64.33208	0.5
67.05421	0.7
70.06508	14.1
70.69116	0.5
71.06834	0.9
71.95189	0.5
72.08060	6.0
74.97540	0.8
79.05405	0.7
84.04422	3.2
84.08051	2.7
85.02827	1.4
86.09643	4.5
98.97513	1.4
99.04374	0.7
103.03874	0.7
105.06992	0.7
107.08576	0.8
110.07107	3.7
115.08669	0.5
116.07093	0.6
116.98588	3.7
120.08094	1.0
123.01173	1.0
129.10207	0.9
134.99614	2.3
141.02209	0.8
145.01721	0.7
149.09586	1.3
157.01692	2.9
161.01183	6.3
163.02765	0.6
172.94244	2.7
173.04820	0.6
179.02248	3.3
179.03720	1.3
183.03276	1.2
185.01202	0.7
185.04852	1.0
187.04308	0.9
189.06146	0.6
190.95299	4.1
193.05319	2.1
195.63875	0.6
197.04866	3.0
199.02747	2.3
201.04280	1.0
203.03789	1.2
203.05675	0.6
205.05347	22.4
211.02774	1.0
211.06415	5.8
219.06845	1.0
221.04861	1.4
221.08324	2.4
223.06386	63.9
224.03462	0.7
224.06718	1.1
225.04510	0.6
227.09435	0.7
229.03770	2.4
229.07462	1.0
235.06348	2.2
237.04298	3.6
237.07925	3.3
239.05891	0.8
239.09566	4.2
241.03850	0.6
241.07394	19.9
247.06320	4.5
253.07498	7.3
255.05144	0.8
265.07407	46.2
271.08453	7.7
281.06955	1.0
283.08478	100.0
284.08868	2.2
288.08936	1.4
301.09558	16.8
306.10022	1.1
345.02917	4.5
363.04126	36.4
364.04626	0.8
381.05197	10.5
386.05609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2897
Annotation	(-)-Mycestericin E
Peak:m/z	Relative Intensity
53.34864	0.3
55.05441	2.3
56.04972	3.3
57.06739	0.4
57.07012	12.5
67.05427	4.7
67.56509	0.4
69.06979	1.9
71.08546	6.9
72.04432	0.7
79.05448	0.5
81.06969	4.7
83.08540	2.5
84.04426	100.0
85.02829	1.8
85.10096	3.8
86.09615	0.6
91.05420	1.7
95.08532	5.4
97.10104	0.5
102.05477	28.4
109.10103	2.4
109.10793	0.4
112.92567	0.4
123.11636	0.7
130.04964	50.8
138.01605	0.4
148.06024	36.8
159.17361	0.4
159.63995	0.5
182.51634	0.5
239.23703	1.0
259.44818	0.5
312.22235	0.4
328.11908	0.5
336.75244	0.4
348.34311	0.4
372.94540	0.4
386.29309	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00220	1.4
53.03869	1.7
55.01801	2.1
55.05231	1.5
55.05453	26.4
56.35318	1.4
57.03370	33.6
57.06994	3.3
67.05422	76.8
69.06993	20.4
69.67085	1.4
71.04873	2.4
71.08511	1.6
79.05405	85.4
81.06513	3.4
81.06971	79.1
83.04868	3.0
83.08535	12.3
85.06465	9.2
87.86292	1.5
91.05404	67.0
93.06968	100.0
95.04884	9.8
95.08523	60.5
97.06444	7.3
97.10065	2.3
99.07990	2.2
105.04417	1.6
105.06966	64.5
106.18881	1.4
107.08536	54.9
109.06458	8.0
109.10102	20.3
117.06955	26.4
119.07677	1.8
119.08525	50.9
121.10091	34.1
123.07961	3.3
123.11642	3.5
129.06931	10.8
131.08519	39.4
133.10091	37.8
135.07980	2.2
135.11630	19.7
137.09607	3.0
143.08536	6.1
145.10120	19.5
147.11656	25.4
149.13261	13.5
157.10057	6.6
159.11676	23.0
161.13210	12.5
161.27312	1.6
162.08182	1.9
162.18886	1.9
163.11078	2.4
171.11647	6.0
173.13263	3.5
175.14752	3.0
177.12706	1.9
185.13203	6.4
185.33745	1.6
187.14774	10.1
199.14778	3.2
201.16275	2.2
205.15781	6.1
215.81490	2.0
229.14171	2.0
241.19374	11.4
259.20517	28.0
263.72620	1.7
269.17487	1.9
276.06094	1.7
277.21451	8.1
351.25189	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	387.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	9.0
55.01812	10.3
55.05445	1.8
56.04980	1.7
56.96510	2.2
57.03373	16.6
59.04935	1.7
60.99903	1.1
61.02854	15.8
61.33809	1.0
65.50597	1.0
65.61048	0.9
68.99707	8.1
69.03350	44.6
70.06511	24.9
70.11520	0.9
71.01273	1.4
71.04901	5.8
72.08065	4.1
73.02820	8.2
73.88165	1.0
79.05432	1.3
81.03336	30.3
83.06033	1.5
84.04436	7.6
84.08064	5.5
85.02827	100.0
86.09619	7.4
87.00755	53.5
87.04419	1.3
87.72254	1.1
91.03896	1.6
91.05408	10.9
91.70717	1.1
92.10350	1.2
93.06942	3.8
95.04881	1.7
95.06033	1.0
97.02825	42.4
98.97524	1.2
99.04379	13.1
103.03889	13.7
103.05383	1.3
105.01807	31.1
105.06972	1.4
107.04894	1.8
107.08545	1.3
109.02833	19.3
110.07130	10.5
115.05428	4.1
116.98594	1.9
117.01833	2.0
117.06950	11.3
119.04913	5.2
119.08570	1.6
119.60886	1.0
120.08057	2.0
121.06455	19.3
121.08362	1.9
124.00044	1.0
127.03881	35.0
128.06197	1.8
129.01796	5.1
129.06989	5.4
129.10208	1.6
131.04865	1.9
131.08496	7.9
133.06491	1.3
134.99628	1.3
135.07999	4.3
136.07545	1.3
137.05966	1.9
140.26968	1.1
141.06992	8.5
143.08589	1.3
144.05699	2.5
144.08044	1.7
145.04961	10.6
145.06448	10.3
147.02953	1.8
147.04396	12.9
147.08014	1.6
155.08533	1.9
157.06447	4.0
158.07269	4.7
159.02866	5.3
159.08026	8.8
163.06348	1.1
163.07489	10.1
165.06943	1.4
167.07031	6.2
169.06425	1.6
171.02866	2.0
171.07973	1.9
171.09247	2.5
173.05936	2.6
175.07500	1.5
177.00723	1.5
183.08047	5.6
187.07509	24.0
189.03879	10.6
189.09241	1.1
201.09109	6.3
205.08524	7.9
211.07596	4.5
229.08537	16.6
231.04996	3.9
237.02776	1.9
247.09634	9.7
266.07840	1.1
284.08881	1.7
369.11319	1.3
386.22754	1.5
387.16333	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	387.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	0.8
57.07000	0.7
57.38262	0.6
67.05415	5.5
69.03329	3.1
69.06945	0.8
70.06510	1.2
79.05397	1.3
81.03328	1.5
81.06956	3.6
81.14552	0.7
85.02817	14.3
85.06430	1.3
90.54099	0.7
91.05408	4.1
93.06954	3.0
95.04889	1.5
95.08524	18.8
97.02825	1.7
99.04384	0.8
105.06963	3.3
107.04896	1.0
107.08540	1.6
109.02830	0.7
109.06504	0.7
109.10104	3.9
119.04871	1.4
119.08516	4.9
121.10107	3.2
123.08003	5.3
123.11645	10.4
125.05955	1.7
128.06226	0.7
133.10057	1.1
135.11600	1.5
137.09622	2.8
147.04382	3.4
147.07896	1.0
147.11674	2.7
149.09584	5.3
161.09589	3.6
161.13191	0.8
165.09071	0.9
175.03911	3.6
181.04938	1.1
189.08977	0.8
189.12572	2.0
197.41783	0.7
203.05298	6.8
207.06508	3.5
207.09964	3.2
207.13763	11.2
225.10916	11.4
268.52820	0.7
333.16623	0.7
343.07635	0.8
343.17145	8.5
375.92529	0.8
387.16119	100.0
388.16318	2.6
408.61441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	4.2
55.01812	1.1
55.05452	8.9
57.03359	1.3
64.17918	0.9
65.03842	1.4
67.05434	16.0
69.03351	21.1
69.06961	2.1
71.04900	5.1
77.03827	0.9
79.05408	24.0
81.03339	8.0
81.06963	9.4
83.04888	8.3
85.02834	9.3
85.06509	0.8
91.05405	13.6
93.06953	6.1
95.04892	12.9
95.08513	6.9
97.02821	8.8
97.06492	6.5
99.04350	6.6
105.06975	17.5
105.66851	0.9
107.04900	28.1
107.08540	4.1
109.02830	3.8
109.06458	5.4
109.10104	50.5
109.10857	1.8
111.04376	4.2
115.64069	1.0
117.06935	3.9
119.08537	16.8
121.06447	5.2
123.04363	1.8
125.05978	2.3
127.03860	1.9
128.06198	8.1
129.06987	7.6
131.08537	1.6
133.06432	1.8
133.10106	17.3
135.08003	1.9
137.05977	1.8
137.09596	57.2
143.08543	18.3
145.06416	1.3
145.10043	1.7
146.07245	6.9
147.08023	20.5
149.01129	0.9
161.09583	100.0
162.09918	2.0
163.11147	1.4
165.09076	47.2
171.07971	1.5
174.06699	1.6
179.10655	8.2
189.09032	7.9
197.11749	1.0
207.10161	17.7
225.11153	6.0
283.33545	0.9
387.16312	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	3.8
53.40604	0.5
54.13509	0.5
55.01811	1.2
55.05453	8.5
57.03376	2.3
61.02858	0.8
67.05424	14.4
69.03345	17.2
69.06991	0.8
70.06524	1.1
71.04918	4.1
73.02857	0.6
77.07415	0.5
79.05408	26.6
81.03342	7.7
81.06973	12.4
83.04905	6.7
85.02338	1.0
85.02821	13.2
91.05406	13.0
92.10949	0.6
93.06973	4.9
95.04889	14.4
95.08537	5.1
96.19334	0.6
97.02809	5.2
97.06461	4.4
99.04383	7.4
105.04483	0.6
105.06974	19.6
107.04895	28.5
107.08517	4.2
109.02828	4.3
109.06477	7.1
109.10099	50.2
111.04403	5.3
115.05415	0.8
117.06937	4.2
119.08533	19.2
120.08069	1.2
120.58282	0.5
121.06457	4.2
123.04391	2.4
123.08023	0.9
125.05940	3.7
127.03864	1.3
128.06181	8.2
129.06990	5.2
130.20494	0.6
131.08546	2.6
133.06497	1.9
133.10089	16.6
135.08026	2.4
137.06003	1.1
137.09590	59.4
143.06999	1.0
143.08534	19.6
145.06488	2.9
145.10085	2.8
146.07246	6.8
147.08011	22.5
149.09572	0.6
151.03900	6.7
151.04936	1.0
159.08017	1.1
161.09579	100.0
162.09927	1.2
163.11116	1.0
165.07666	1.5
165.09071	48.2
166.78133	0.7
171.07977	1.0
174.06743	1.3
179.10612	11.0
189.09091	10.0
197.11668	1.1
207.10124	20.4
211.37906	0.6
225.11180	6.3
369.15353	1.3
387.16534	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	387.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72470	1.0
53.03879	1.5
55.05447	6.2
57.07006	21.3
59.50541	0.9
67.05419	1.2
71.04917	14.3
72.83170	1.1
81.06971	1.7
83.04897	18.3
84.59674	1.0
91.05407	1.8
92.10341	1.5
95.04912	8.1
101.05939	4.4
105.04464	1.5
105.06986	1.2
106.22485	1.2
114.82507	1.0
119.08524	1.6
126.53751	1.0
128.06195	1.4
129.07054	1.6
137.49989	1.0
147.11636	5.5
175.01511	100.0
183.39073	1.2
193.02609	4.2
227.04642	5.0
231.07761	2.4
275.06766	7.6
279.59235	1.1
331.13016	45.5
387.19342	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	387.2012
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
51.41008	0.2
53.03880	1.0
55.01815	1.1
55.05462	4.0
57.03362	0.5
57.07015	4.6
59.04925	1.6
61.02867	0.9
63.34338	0.2
65.03851	1.0
67.05430	23.2
69.03350	4.0
69.06985	1.6
70.06502	0.5
71.04913	1.2
73.02825	0.2
75.93388	0.2
79.05428	2.6
81.03342	1.1
81.06985	3.8
83.04906	3.0
83.08541	0.4
85.02829	6.2
85.06470	11.2
91.05412	3.2
93.06974	8.6
95.04894	2.8
95.08537	100.0
96.08874	1.6
97.02840	2.1
97.06477	1.3
99.04401	0.4
103.05358	0.3
105.06978	7.1
107.04915	1.0
107.08540	10.5
109.02822	0.5
109.06470	2.8
109.10113	2.5
111.08026	0.6
113.05950	6.4
116.93687	0.3
119.08540	15.7
121.06467	1.6
121.10106	8.2
123.08022	25.8
123.11642	3.0
125.09576	0.3
127.03849	0.5
127.07498	0.3
129.06978	0.4
131.08553	1.7
133.06470	1.1
133.10100	3.0
135.08064	0.6
135.11664	9.8
136.12053	0.2
137.09596	3.1
137.13248	0.6
139.07483	0.4
143.08553	0.4
145.04965	0.3
145.06367	0.3
145.10103	0.5
147.08006	1.9
147.11650	5.0
149.09601	32.7
150.09946	0.4
151.07547	1.6
151.11211	0.5
151.14819	1.7
156.09348	1.1
159.08046	0.6
161.09648	1.8
161.13228	7.6
163.11166	2.6
165.09044	0.9
165.12718	5.0
171.11671	1.8
174.10385	2.1
179.14375	1.7
181.04895	0.3
189.12711	9.7
207.13779	32.4
208.14114	0.5
209.80725	0.2
225.11063	0.4
288.40506	0.3
340.12326	0.3
387.11670	0.5
387.16260	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	387.2014
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
53.03891	0.4
54.04956	0.3
54.81795	0.3
55.01812	1.2
55.05450	3.9
55.62650	0.3
55.74120	0.3
57.03360	0.4
57.07011	4.5
59.04943	0.7
61.02845	1.2
65.03854	0.3
67.05431	22.1
69.03353	3.8
69.06989	2.2
70.06513	0.3
71.04911	0.6
78.01778	0.3
79.05395	2.4
79.42537	0.3
79.58463	0.3
81.03337	1.2
81.06986	4.8
83.04903	1.7
83.08531	0.5
85.02827	7.2
85.06466	10.2
91.05402	3.7
93.06972	7.8
95.04877	2.4
95.08533	100.0
96.08878	1.9
97.02809	1.6
97.06465	0.7
99.04378	0.5
99.64916	0.3
105.06976	6.4
107.08538	9.1
109.02841	0.4
109.06465	2.6
109.10104	2.8
111.08018	0.4
113.05955	6.9
116.06253	0.3
117.06991	0.5
119.08540	14.4
121.06460	1.5
121.10101	7.7
123.04340	0.3
123.08019	26.8
123.11657	5.1
127.03846	1.2
131.08571	2.2
133.06485	1.1
133.10130	2.6
135.08026	1.2
135.11665	10.4
137.09596	2.2
137.13203	1.1
141.09062	0.4
143.08556	0.3
145.05013	0.5
145.10150	0.6
147.08037	2.0
147.11665	5.7
149.09599	25.1
151.07501	1.8
151.14799	1.8
156.09314	0.7
161.09555	0.4
161.13231	8.5
163.11163	3.7
165.09038	0.6
165.12714	4.6
171.11678	1.9
174.10400	1.9
179.14314	2.0
189.12708	8.3
190.13034	0.4
207.13768	30.3
208.14070	0.7
225.14926	0.6
244.93877	0.3
333.16968	0.6
387.11774	0.4
387.16287	1.0
387.20499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	3.0
53.03881	1.8
55.01811	2.4
55.05458	33.1
57.03188	2.0
57.03379	29.9
57.07021	2.3
63.48756	1.8
67.05074	3.8
67.05424	72.5
69.03325	3.0
69.06993	27.9
69.07321	3.1
71.04906	32.7
76.55123	1.9
79.05407	80.5
81.06977	88.3
81.86408	2.0
83.04884	5.2
83.08531	13.7
85.06468	10.7
89.64399	2.4
91.05401	56.2
93.06969	100.0
95.04900	12.1
95.08534	74.6
97.06453	10.6
97.10149	2.9
99.07985	3.9
105.06973	44.7
107.08537	58.0
109.06467	10.0
109.10103	28.0
111.08037	4.9
117.06974	13.3
119.08537	38.4
121.10093	43.3
123.08088	7.3
123.11671	4.7
129.06956	9.2
131.08543	31.7
133.10109	27.7
135.11673	21.0
137.09593	3.0
143.08511	4.3
145.10138	22.8
147.11630	21.6
149.13243	9.4
157.10094	2.7
159.11708	3.3
161.13202	9.3
171.11665	3.2
173.13242	13.6
175.14880	2.8
187.14824	5.3
191.14424	2.8
205.15858	4.0
207.17456	2.4
219.01445	2.2
241.19437	3.8
259.20462	15.1
277.21500	35.4
278.30252	2.2
283.18915	3.4
351.25232	22.9
369.26117	20.5
370.26199	2.7
372.67682	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	388.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24200	0.1
56.96500	0.7
59.66165	0.1
68.04184	0.1
69.03355	0.2
70.06504	0.2
77.03864	0.2
79.05423	1.1
84.04434	0.2
84.08048	0.2
85.02853	0.2
91.05415	0.6
93.06963	1.4
95.04900	0.2
103.05406	6.2
107.04911	2.1
109.24780	0.1
119.04904	0.2
120.08064	100.0
121.08409	2.0
123.08040	0.2
131.04909	2.3
147.04405	0.3
149.05959	1.0
166.08606	22.0
167.08960	0.2
298.14172	0.2
330.32236	0.2
334.29993	0.1
334.61301	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	388.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48713	0.6
53.03886	7.2
55.01813	10.7
57.03371	6.4
61.02846	8.0
62.06015	4.9
64.15679	0.5
66.13029	0.6
66.33320	0.5
67.05418	1.6
67.83873	0.6
68.99704	2.8
69.03346	37.4
71.04313	0.6
71.04916	5.6
73.02821	6.2
79.05393	1.3
81.03335	26.6
83.01294	0.8
85.02824	100.0
87.00749	46.9
87.04420	1.0
91.03863	2.5
91.05432	1.2
92.10831	1.0
93.06962	0.8
97.02818	30.7
98.05974	0.8
99.04389	14.1
101.02280	1.1
103.03911	0.9
105.01805	40.4
105.06980	14.1
108.04398	1.6
109.02824	27.9
109.10096	0.9
115.03856	1.0
117.01808	4.8
119.08552	0.8
127.03868	51.7
129.01788	3.9
131.30432	0.6
145.04935	19.4
147.02905	1.3
159.02846	12.3
176.76871	0.6
189.03894	2.7
196.13351	0.9
213.03864	1.4
216.15950	0.6
217.08168	0.6
231.04900	15.4
231.10062	0.8
248.07608	1.6
249.06035	5.0
262.10025	1.0
388.15823	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	1.4
55.01811	1.5
55.05445	5.8
57.03353	1.0
58.99509	1.7
63.13488	1.1
67.05424	25.1
68.32512	0.9
69.03342	13.2
69.06985	7.7
70.90598	0.8
71.04902	1.1
76.02148	2.6
79.05399	12.0
81.06969	24.0
83.04891	18.5
83.08559	1.3
85.02824	2.1
86.09624	2.2
86.98970	1.3
87.04391	17.7
91.05402	22.1
93.06963	28.4
95.04889	7.7
95.07960	2.2
95.08528	36.1
97.06493	1.7
105.03329	1.9
105.06973	35.5
107.04876	1.5
107.08536	34.1
109.06482	5.8
109.10101	61.6
110.07137	1.9
111.04388	1.6
111.08002	1.9
113.05972	2.4
115.03887	16.0
117.06956	5.9
119.04938	2.2
119.08527	41.7
120.08052	2.0
121.06413	10.1
121.10071	10.1
121.49934	1.1
122.02689	7.4
122.07230	7.4
123.08014	5.8
123.11621	1.0
129.06973	4.8
131.08525	11.9
133.06458	1.5
133.10089	100.0
135.07997	4.8
135.11655	34.4
137.09584	77.2
139.07515	6.2
142.00037	1.0
143.08517	8.6
145.10086	11.3
146.07057	1.1
147.08031	7.0
147.11674	17.6
149.09579	12.6
151.07591	1.6
153.09067	14.5
153.12750	1.5
155.08496	4.2
155.10619	1.3
156.09325	1.6
157.10077	8.5
159.11667	6.7
161.09521	7.8
161.13206	6.7
163.11151	5.3
165.07785	1.1
165.08990	7.6
169.10056	2.6
170.10892	5.3
171.11618	12.3
173.09650	1.7
174.10353	1.3
175.03865	1.7
175.07498	1.8
175.11148	1.6
175.14825	9.0
181.04933	1.6
181.10022	1.9
183.11667	5.5
185.13200	14.7
187.11133	9.3
189.12688	12.0
191.10623	13.0
193.08554	1.8
194.10896	1.2
195.11685	2.4
197.13176	4.4
199.14781	2.7
203.14278	18.3
207.06572	1.6
209.11690	6.9
211.14771	1.7
213.12675	5.9
215.10587	2.6
215.14319	1.7
221.15392	3.8
225.12740	1.4
225.16309	4.6
229.12183	1.4
229.15953	1.7
231.13744	29.4
243.13823	2.6
243.17352	1.4
247.17047	1.4
249.14801	22.4
253.15808	9.8
255.17497	1.6
259.17108	1.7
261.14801	2.5
267.15811	17.1
271.16858	45.3
273.18384	1.5
289.17929	20.9
299.16422	6.2
307.18820	7.8
317.17374	22.8
335.18427	71.0
353.19476	17.5
370.16660	4.8
388.17862	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58509	2.1
55.05433	2.5
57.03368	1.8
64.71451	1.8
67.05437	21.6
69.03332	2.4
69.06987	3.3
72.08082	2.2
74.00510	1.8
79.05405	12.5
81.06966	24.1
83.04917	7.2
86.09589	1.9
87.04427	3.2
91.05413	19.4
93.06972	29.3
95.08536	29.2
99.71181	2.3
105.06969	37.8
107.08533	27.7
109.06438	3.2
109.10099	61.6
115.03871	2.8
117.06966	4.8
118.79439	1.9
119.08533	37.5
121.06495	2.8
121.10056	4.2
123.11633	3.2
129.06966	8.2
131.08514	10.5
133.10083	49.8
135.11610	16.1
137.09578	42.2
139.07542	4.1
143.08557	9.1
145.10123	12.3
147.08002	2.7
147.11671	13.3
149.09607	9.3
153.09068	20.6
157.10112	9.9
159.11668	5.1
161.09494	2.5
161.13234	2.8
165.09134	3.6
166.21036	2.0
169.10114	3.3
171.11664	8.7
173.13216	2.3
183.11714	11.0
185.13242	9.4
187.11147	2.7
191.10655	4.9
195.11739	2.5
196.12471	2.2
197.13242	3.8
199.14809	2.7
201.12834	2.0
203.14357	4.5
209.11592	3.0
209.13306	3.1
211.14764	3.2
213.12712	4.4
215.10628	2.8
215.14119	2.5
217.16003	3.0
225.12787	2.5
225.16280	9.6
229.15916	4.2
231.13736	17.5
235.14827	3.1
243.17302	3.0
249.14746	4.9
253.15837	14.9
255.17526	4.0
259.16797	3.2
261.14685	4.8
267.15704	2.7
271.16879	68.0
278.37173	2.1
289.17914	34.0
299.16357	10.4
307.18848	16.5
317.17416	32.4
335.18463	100.0
336.19055	3.2
353.19513	24.6
397.73517	2.2
406.75690	2.2
406.99786	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	388.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01794	3.9
55.05451	43.1
57.03370	14.5
57.06998	8.7
57.79321	3.5
67.05425	97.8
69.06658	4.9
69.06985	34.7
71.04912	6.3
71.08548	50.7
73.52732	3.6
79.05409	47.9
81.06968	100.0
83.04910	6.6
83.08535	26.4
85.06441	4.1
86.09612	6.2
89.32809	3.7
91.05398	25.0
93.06963	59.8
95.08534	77.9
97.06454	6.8
97.10105	8.9
99.08038	30.5
105.06975	28.0
107.08536	36.5
109.10123	42.2
110.89968	4.1
111.07999	5.0
117.07008	8.2
119.08556	20.3
121.10104	21.9
123.11666	5.7
125.09663	4.5
131.08537	15.6
133.10118	4.8
135.11664	14.7
145.10127	5.4
147.11681	22.1
149.13228	7.7
159.11545	3.7
163.14774	4.9
165.12682	5.6
173.11749	4.9
229.14362	6.3
243.21013	8.0
244.75752	3.8
261.22107	19.4
279.23251	25.9
353.26770	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	388.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	19.6
56.96496	2.0
57.03369	2.0
57.07011	3.4
66.58489	1.3
67.05427	18.1
69.06986	24.0
71.04909	2.6
71.08546	39.3
76.56080	1.3
79.05396	13.4
81.06970	33.8
83.04913	3.5
83.08542	8.0
85.99662	1.5
86.09615	3.7
91.05405	6.8
91.77639	2.3
93.06984	24.1
95.04887	2.8
95.08533	30.0
97.06486	6.4
97.10106	5.9
99.08031	21.9
105.06972	11.2
107.08540	18.7
109.06483	14.5
109.10110	13.7
111.08023	2.1
117.06994	1.8
119.08528	11.5
121.10121	11.4
123.08047	2.1
123.11674	3.8
133.10112	3.8
135.11646	3.0
147.11678	3.0
149.13225	3.8
151.11168	1.8
153.12715	2.5
161.13177	2.0
165.12715	19.4
175.14836	2.8
179.14366	2.2
184.07307	2.1
193.15854	7.1
232.02243	1.5
235.16986	3.3
249.18201	1.9
291.23148	43.8
309.24185	69.3
309.27612	3.4
310.24643	2.2
327.72699	1.7
342.78867	1.9
353.26770	100.0
354.27197	3.8
388.27945	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	388.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	1.3
54.75702	0.8
55.05454	15.9
55.27554	0.9
57.03363	2.0
57.07026	6.9
58.22768	0.9
58.28847	0.9
65.03860	1.7
67.05428	100.0
69.06983	15.9
71.08529	4.8
75.04408	1.3
76.18654	0.9
79.05408	62.0
81.06976	86.2
83.04878	1.4
83.08545	9.4
85.06486	1.8
85.10074	0.9
91.05408	29.0
93.06972	81.3
94.07304	1.0
94.46873	0.9
95.04873	7.8
95.08536	61.4
97.06468	3.7
97.10100	3.8
99.08031	2.3
105.06971	22.2
107.08539	45.5
109.06474	2.2
109.10103	21.3
113.09588	2.1
117.06982	9.8
119.08527	11.7
121.10098	27.7
123.11676	7.6
131.08542	24.9
133.10114	7.6
135.11642	20.2
137.13179	2.2
138.81995	1.0
145.10132	15.2
147.11659	10.6
149.13235	18.6
151.14778	1.1
153.12733	1.1
159.11664	6.8
161.13220	7.5
163.14784	12.4
168.78398	1.0
172.44746	1.0
173.13239	11.2
175.14784	1.9
177.16357	2.1
187.14801	6.3
191.14218	1.3
192.65115	1.1
201.16335	1.4
201.26234	1.1
230.93987	1.0
233.22615	4.7
243.21066	25.7
244.21356	1.8
261.22067	48.6
285.23639	1.0
335.25836	4.4
353.26834	17.6
371.81329	1.0
409.89511	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	1.3
56.04967	0.7
56.87738	0.7
57.07013	17.4
58.06538	6.8
62.98990	5.7
67.05434	1.6
68.61139	0.9
69.06976	1.0
71.08184	1.0
71.08547	15.4
73.32413	0.7
75.02620	1.4
75.10173	0.8
77.00539	6.2
79.12558	0.7
81.84255	0.7
83.08521	1.7
85.10114	7.0
87.02624	1.8
92.10205	1.8
95.08521	6.1
105.03668	83.8
106.04038	0.8
109.10101	1.8
122.06316	16.6
255.94980	0.9
268.21057	0.8
324.32532	100.0
325.32828	3.9
378.38663	0.9
388.27280	1.5
388.32281	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	388.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83095	0.8
57.07007	10.5
59.57166	0.9
61.51300	0.8
69.71001	0.8
71.08554	4.0
77.06190	0.9
79.05396	1.6
81.06980	1.3
85.10140	1.0
92.64597	0.9
94.05100	0.9
95.08533	1.2
103.05392	2.2
105.06970	100.0
122.09610	15.8
133.20398	0.9
150.85474	0.9
203.42538	0.8
388.35648	24.8
389.36102	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1415
Annotation	Chidamide
Peak:m/z	Relative Intensity
54.18592	0.5
56.04965	0.9
56.49307	0.6
57.03350	0.7
58.69803	0.5
59.46430	0.5
70.06509	11.8
71.42525	0.6
72.08056	0.8
79.05409	0.8
81.06961	0.8
84.04425	9.0
84.08072	4.6
85.02801	1.3
86.09641	0.9
92.10323	1.3
95.04881	0.7
105.06995	0.7
110.07092	1.1
114.37549	0.7
120.08167	0.8
127.03912	0.7
129.06734	0.6
129.10260	0.9
129.76071	0.6
130.06506	0.8
131.08514	1.2
132.08089	2.7
133.10143	0.7
142.06517	0.7
145.10071	1.0
147.08047	0.7
149.09572	0.9
159.09138	3.4
181.97563	0.6
209.11650	0.7
243.65941	0.7
245.09897	1.3
265.06415	0.8
327.14059	6.4
329.12015	2.9
383.49203	0.7
389.14087	100.0
390.14380	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	389.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01813	4.6
55.05443	4.3
55.75185	2.1
57.03381	3.6
57.06993	2.8
67.05432	38.3
69.03321	2.8
69.06989	3.7
70.06500	12.9
71.04912	21.5
74.01946	2.9
79.05405	42.2
81.03317	2.6
81.06973	11.2
83.04883	11.3
84.04414	4.0
85.02826	10.4
85.06468	97.6
86.09628	4.8
89.05958	5.6
91.05421	29.6
92.10902	5.1
93.06969	37.8
95.04894	11.6
97.06413	5.1
99.08042	3.6
105.06976	35.2
107.04917	29.2
107.08533	54.5
109.06449	10.4
111.04384	15.7
117.06969	10.3
119.08541	23.5
120.07961	2.3
121.06466	24.1
121.10104	41.0
121.52004	2.6
123.04452	3.9
123.07983	3.7
125.05965	10.8
127.98204	2.5
129.06975	6.1
131.08540	100.0
133.06476	3.1
135.11642	4.7
137.09573	11.6
137.46925	2.4
145.10106	51.9
147.08011	3.6
149.05913	4.4
149.09593	98.2
153.05426	3.2
163.07506	3.9
163.11137	33.8
165.09067	16.4
167.10640	38.9
167.18181	2.8
173.09579	5.9
191.10640	65.0
209.11702	67.9
227.12732	57.3
278.13464	2.9
292.15897	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	5.2
55.05441	2.5
57.03373	2.7
57.07007	6.2
62.38623	2.4
67.05425	32.9
67.87200	2.5
69.03339	5.1
69.06985	14.2
70.06517	4.6
71.04893	24.5
76.33835	2.1
76.55024	2.5
78.46706	2.5
79.05407	37.2
81.03374	3.3
81.06974	6.1
83.04902	10.2
84.04432	3.3
85.02828	6.1
85.05991	5.2
85.06470	98.5
89.05981	3.2
91.05407	29.9
93.06967	33.9
94.01689	2.8
95.04892	6.4
95.08537	3.2
97.06445	3.5
99.08031	2.7
105.06983	30.7
107.04906	25.7
107.08523	39.8
109.06476	11.6
111.04385	15.9
114.59164	2.6
117.06983	4.9
119.08534	20.5
121.06437	18.2
121.09298	3.2
121.10106	32.6
123.08054	4.0
125.05958	4.4
129.06943	10.0
131.08534	100.0
132.08800	3.2
133.06427	3.2
135.11674	4.5
137.05957	4.3
137.09607	12.2
137.27229	2.4
141.05502	2.9
145.10095	34.2
147.08037	10.3
149.09583	80.9
153.05391	3.2
163.07561	3.5
163.11108	26.3
165.09085	12.9
167.10674	29.2
173.09619	4.4
177.13255	2.6
191.10645	53.7
209.11676	53.8
227.12721	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.4
54.81697	0.5
54.88452	0.5
55.01811	5.1
56.04980	2.3
56.96496	1.1
57.03371	1.5
61.02858	2.7
65.03870	2.2
67.05420	0.8
69.03355	6.5
69.07009	0.9
70.06513	27.1
71.04921	2.3
71.06841	0.7
73.02819	1.4
74.05994	0.7
79.05420	6.1
81.03343	2.7
84.04433	17.6
84.08068	12.6
85.02829	22.3
86.09625	3.0
88.03913	0.8
88.50146	0.7
91.05407	10.6
95.04888	3.7
97.02839	4.7
97.07585	0.6
99.04427	0.7
102.05488	3.1
103.05412	11.8
105.03333	1.0
105.06982	80.0
107.04921	5.8
109.02827	2.6
109.06499	2.5
110.07124	3.4
111.04379	0.6
112.08712	2.2
113.07102	1.1
115.05404	15.2
115.08640	0.9
118.04121	6.1
118.06509	0.7
119.04898	10.4
120.08031	1.2
121.06498	2.9
123.07966	1.3
127.03892	4.3
129.10207	3.7
130.06537	4.1
131.04871	4.5
132.05682	1.1
132.08064	5.4
133.06465	75.3
133.10101	1.0
134.03590	1.1
134.06760	0.8
137.06001	0.9
141.06587	0.7
143.06012	4.2
145.04962	2.4
146.06052	1.1
147.04419	2.6
147.08040	3.8
149.02306	1.2
149.05983	3.9
151.07521	5.6
153.05467	4.1
159.09174	6.4
160.09480	0.7
161.05954	100.0
162.06349	1.2
167.07019	3.0
168.07759	4.7
168.44803	0.7
170.05922	0.9
179.06958	1.2
180.08734	1.2
181.04935	5.9
188.07111	2.7
193.08580	46.2
196.07256	1.4
211.09648	10.2
239.07243	0.8
246.04399	2.4
264.05389	0.9
308.04233	0.8
390.14386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76689	2.3
55.05461	44.2
57.07010	6.3
58.57416	2.3
67.05415	14.3
69.06981	14.2
71.08555	21.1
78.98197	3.3
79.05389	4.1
81.06970	19.1
83.08551	40.7
86.09640	3.6
91.05376	3.8
93.06956	17.9
95.04865	2.7
95.08536	21.9
99.08035	7.2
100.11186	100.0
105.06966	6.6
107.08535	12.5
108.12126	2.6
109.06462	13.9
109.10101	11.6
119.08500	5.9
121.02768	3.2
121.10045	4.4
123.07993	4.0
130.24719	2.6
149.02316	51.0
149.13196	4.1
149.70351	2.8
165.12701	32.7
167.03406	3.3
179.14203	3.3
184.13423	3.3
219.80382	2.8
223.04936	3.3
291.23148	38.8
292.26215	6.0
360.07651	3.1
381.89963	2.9
390.33569	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	390.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78662	0.5
53.20476	0.5
55.05442	1.3
55.13086	0.6
55.87646	0.5
56.27876	0.7
57.06736	0.7
57.07010	16.1
58.06531	4.6
60.08085	1.3
67.05426	0.9
68.04954	0.7
69.06947	0.8
70.06144	1.3
70.06510	36.9
71.08544	5.4
72.08064	4.4
73.97601	0.7
77.07365	0.6
81.06989	1.1
84.08049	2.8
85.10123	1.2
86.09626	11.2
88.07558	10.9
89.05938	1.1
91.83076	0.6
95.08533	1.0
101.24968	0.7
102.09109	4.1
104.10729	0.7
120.85603	0.6
121.02820	0.7
124.99951	4.0
132.10170	12.9
146.11737	11.2
149.02316	27.0
167.03392	0.7
184.07309	8.9
185.07625	0.9
194.13524	0.7
196.51775	0.6
202.52596	0.7
240.26778	3.4
261.16638	0.6
266.28409	3.9
284.29407	13.1
328.32034	60.4
329.32245	1.3
372.34479	0.7
390.35672	100.0
391.24399	4.0
391.36057	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	0.2
53.03882	0.8
53.53364	0.1
55.01804	0.9
55.05445	0.3
56.09402	0.1
57.03373	0.3
57.06781	0.1
57.07013	1.7
59.84972	0.1
63.70078	0.2
65.03865	10.9
65.27033	0.2
67.05080	0.3
67.05428	5.6
68.99696	0.2
69.03358	2.4
69.06985	0.8
70.06501	0.4
71.04906	3.0
71.08550	2.2
76.56505	0.2
79.05413	2.5
81.03321	1.1
81.06966	1.1
82.04119	4.4
83.04893	0.7
84.04420	0.4
85.02828	8.5
86.09586	0.2
87.04366	0.2
91.05408	4.0
93.03330	2.1
93.06956	1.0
95.04902	2.7
95.08534	0.4
97.02832	0.9
97.06464	3.4
99.04391	0.2
103.05421	0.2
105.06975	2.2
107.04898	0.2
107.08534	1.2
108.02041	2.8
108.08847	0.3
109.02831	0.3
110.03613	6.2
110.07115	0.3
111.04385	3.0
114.05485	1.1
114.31372	0.2
117.06985	0.2
119.01881	0.9
119.04911	0.2
119.08547	0.9
120.08057	0.4
121.02821	1.3
121.03941	0.3
121.06532	0.2
121.10109	1.0
123.00756	1.2
124.07506	0.2
125.05960	4.4
125.09617	0.3
126.09950	0.3
127.03863	0.3
131.08565	1.3
133.06468	0.2
133.10094	6.6
137.02309	0.4
137.05910	0.2
137.09514	0.2
138.03084	3.8
139.03831	0.7
140.04677	0.7
142.02602	3.1
143.01945	0.3
145.09996	0.2
147.08034	0.8
147.11684	2.8
149.02321	21.8
149.09595	1.7
150.09933	0.4
151.07480	0.3
151.11162	0.9
153.05449	1.0
161.02892	0.7
165.12749	0.7
167.03357	1.1
170.02066	0.2
171.06488	11.5
175.11092	1.6
181.04922	100.0
182.05295	1.7
184.33180	0.2
188.10643	0.3
193.12206	3.6
199.85997	0.2
209.15350	0.3
210.15678	1.0
211.13240	2.1
221.04962	0.3
225.89110	0.2
229.14102	0.5
256.21088	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	391.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04130	0.4
52.62041	0.4
53.03893	0.5
55.01803	1.1
55.05448	0.7
56.04966	1.8
56.96497	2.5
57.06769	0.5
57.07011	8.6
59.05229	0.4
65.03859	1.0
69.03343	0.5
70.02844	0.4
70.06507	10.2
71.08543	7.4
72.08054	1.0
79.05397	0.9
81.03333	1.8
81.06956	0.5
83.06023	0.9
83.96173	0.4
84.04429	7.3
84.08072	4.9
85.02831	4.2
85.69066	0.4
86.09613	0.9
88.03896	0.5
91.05397	2.3
92.10325	0.9
95.04864	0.7
95.05999	0.7
96.04404	2.1
97.03946	0.9
97.07523	0.6
98.97508	0.6
102.05473	2.2
104.04918	0.5
105.03336	2.1
105.06978	0.8
110.07108	2.4
111.05521	10.0
112.06294	14.4
116.07040	0.9
116.98569	0.8
118.06525	0.8
119.04887	1.1
120.04409	3.0
120.08047	2.3
121.02798	4.8
122.06016	0.5
125.07061	2.1
125.09613	0.5
127.03906	0.6
129.10173	2.3
130.04930	0.8
130.06490	2.4
132.04411	64.7
132.08038	2.0
133.10086	0.9
134.05971	1.8
137.04736	0.6
138.24561	0.5
144.08032	6.1
146.06000	4.2
147.04398	2.9
149.02312	91.5
158.02786	0.6
158.05974	3.1
159.07874	0.5
159.09125	3.3
167.03358	7.7
170.06030	0.7
171.06413	0.7
171.09073	0.5
173.07062	1.0
181.04942	7.1
188.07034	5.7
201.06641	1.0
205.09737	2.3
206.04230	0.8
216.11313	3.0
217.09564	0.6
226.09729	2.4
244.10751	100.0
245.11069	2.5
246.04297	3.2
262.11749	1.1
264.05347	2.8
299.05432	2.1
308.04349	2.1
391.14990	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	391.1761
Annotation	H-TRP-TRP-OH
Peak:m/z	Relative Intensity
54.83167	0.3
55.05435	0.5
56.94080	0.4
57.07014	3.3
58.52311	0.3
60.33478	0.4
66.18734	0.3
70.06499	0.4
71.08536	2.5
73.43839	0.3
74.02332	0.7
80.38995	0.4
83.04889	0.5
91.05366	0.4
105.06950	0.5
111.85679	0.4
114.79192	0.4
115.05408	5.3
117.05716	5.1
118.06510	2.9
121.02814	0.9
121.32078	0.4
130.06493	54.6
131.06819	0.8
132.08055	64.9
133.08423	1.7
142.06494	10.1
143.07297	0.4
144.08063	35.9
146.05981	8.3
149.02315	27.0
154.06514	2.2
156.08046	0.7
157.07520	0.7
159.09145	100.0
160.07552	7.2
160.09474	2.4
167.03329	1.5
168.08073	0.5
169.07567	3.3
170.05962	26.9
171.06224	0.6
171.09099	4.4
182.05963	0.6
184.07431	0.6
185.07118	1.7
188.07040	6.5
197.07082	0.6
200.07071	0.5
205.09607	1.5
215.08131	3.7
217.09709	5.9
228.06512	0.5
235.08656	0.5
243.07628	1.7
245.09158	24.7
246.09581	0.5
255.09450	0.4
258.02533	0.4
259.12497	0.4
283.12225	2.0
285.10144	2.0
287.11676	0.9
329.12979	0.5
346.15430	0.5
374.14911	8.3
375.15353	0.5
391.17569	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95925	0.4
53.00255	0.9
53.03875	0.9
54.24083	0.4
55.01808	2.1
55.05441	2.6
56.04976	0.7
57.03360	2.3
57.07015	9.7
61.02848	2.4
65.03867	10.5
66.69762	0.5
67.05074	0.9
67.05428	22.2
69.03350	5.1
69.06982	2.9
70.06510	7.7
71.04910	49.3
71.08240	0.5
71.08557	8.8
73.52760	0.5
79.05405	17.1
80.80606	0.5
81.03325	2.7
81.06975	15.2
82.04123	3.5
83.04903	6.4
83.06016	5.4
84.04424	7.4
84.08055	1.0
85.02829	15.9
85.06461	2.4
86.09628	0.7
87.04399	3.7
91.05408	52.7
92.05733	0.7
93.03327	2.7
93.06436	0.7
93.06982	11.0
95.04888	6.5
95.08539	5.8
96.08856	1.0
97.02824	2.4
97.06445	4.8
103.05398	2.8
105.03334	2.6
105.06978	33.6
107.04896	3.3
107.08530	7.4
108.02056	3.5
109.02827	0.6
109.06464	4.7
110.03630	5.5
111.04414	4.3
114.03773	0.5
114.05482	1.2
116.07048	8.6
117.06933	0.9
119.08544	11.5
120.04392	0.6
120.08064	10.7
121.02808	5.2
121.06441	1.2
121.10104	6.9
123.00746	0.5
123.07996	4.0
125.05962	8.8
125.50809	0.5
127.03870	2.0
129.06929	2.6
131.04915	0.8
131.08528	12.0
133.06473	7.7
133.10097	88.9
134.78514	0.5
135.08025	0.9
135.11674	0.7
137.05954	5.1
138.03081	3.1
142.02573	3.0
142.07782	0.5
145.10124	2.5
146.05968	4.7
147.08037	10.5
147.10492	0.6
147.11668	23.2
149.02321	100.0
149.09604	10.6
149.13239	2.5
150.05595	0.6
151.07527	3.4
151.11157	9.2
153.05418	0.7
153.08888	0.6
157.10094	3.0
158.09586	0.5
161.06003	1.1
165.12721	5.8
167.03381	6.2
171.06487	11.4
174.05449	1.1
175.11159	23.1
181.04921	87.6
182.05299	3.7
186.09100	6.1
190.05008	1.0
191.06946	0.7
193.12222	39.3
204.06566	3.1
206.08150	1.1
211.13239	23.3
229.14174	2.0
230.12849	3.3
231.11299	3.0
232.09673	0.6
239.07500	0.7
248.13947	2.0
255.09763	0.5
258.12253	0.6
373.18387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00232	0.5
53.03874	0.9
55.01795	1.4
55.05440	3.5
55.90183	0.5
56.56045	0.5
56.96488	0.6
57.03363	0.9
57.07019	9.7
59.85273	0.4
60.71176	0.5
61.02864	0.9
65.03863	10.7
67.05426	13.0
69.03338	4.2
69.06966	2.3
69.79385	0.5
70.06519	7.8
71.04906	35.5
71.08540	9.3
79.05407	14.1
81.03333	1.4
81.06570	0.7
81.06978	9.0
82.04102	1.4
83.04915	4.2
83.06021	6.2
84.04429	9.1
85.02821	14.0
85.06451	2.4
86.09633	1.2
87.04361	2.8
91.05404	43.5
93.03314	2.7
93.06973	9.3
95.04902	6.4
95.08545	4.8
97.02808	2.9
97.06487	4.1
99.04364	1.3
101.07085	1.2
102.96886	0.5
103.05438	0.9
105.03329	1.1
105.06262	0.9
105.06968	23.8
107.04897	3.1
107.08541	6.4
108.02053	1.4
109.06468	4.9
110.03592	3.4
111.04365	4.4
114.03686	0.8
114.36342	0.6
116.07026	9.8
117.06957	1.1
119.04856	0.9
119.08540	10.1
120.08064	13.6
121.02830	6.1
121.06438	0.7
121.10111	5.5
123.08001	4.0
125.05953	8.0
127.03876	1.3
129.06876	0.9
131.08513	9.2
133.06464	4.9
133.10092	72.0
134.10425	1.3
135.08026	0.8
135.11597	0.8
137.05960	3.7
138.03072	1.2
142.02580	2.5
145.10042	1.3
146.05966	5.1
147.08015	5.8
147.11652	16.2
149.02316	100.0
149.09596	8.8
149.13208	2.9
151.07541	2.5
151.10110	0.8
151.11156	7.9
157.10083	1.5
158.09595	0.6
161.06003	1.0
163.07451	0.7
165.12682	1.0
165.34003	0.6
167.03340	6.0
167.07007	0.7
169.08614	0.7
170.97739	0.7
171.06496	7.5
174.05469	2.3
175.11136	18.7
180.06427	0.7
181.04915	67.3
182.05304	1.4
186.09103	7.7
190.04898	1.0
193.10451	1.2
193.12207	31.2
204.06493	3.4
211.13251	16.3
229.14278	1.3
230.12839	3.4
231.11240	3.2
248.13820	1.2
258.12372	0.8
276.13550	0.9
373.18005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05459	0.7
56.74525	0.5
57.06777	0.6
57.07018	9.5
70.06506	1.1
71.08553	8.1
83.01850	0.5
84.40563	0.5
85.78698	0.4
88.07535	1.1
89.54647	0.4
121.02823	5.5
130.43355	0.4
132.10199	0.8
149.02322	100.0
167.03329	7.1
184.07318	0.6
190.04900	0.5
279.71310	0.6
354.28232	0.6
390.35635	3.3
391.24460	56.3
391.36063	3.3
392.24927	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21798	0.4
51.73370	0.4
52.44481	0.4
55.05437	0.6
57.06775	0.5
57.07018	9.5
61.49124	0.4
64.33324	0.4
65.03860	0.9
67.05423	1.0
69.06965	0.5
71.08550	9.3
71.54147	0.4
81.06971	0.8
85.67966	0.4
86.09629	3.1
87.04931	0.4
88.90800	0.4
93.06994	0.7
95.08504	0.8
97.79449	0.4
109.91932	0.5
113.13294	0.5
121.02835	5.4
124.99962	1.0
133.10031	0.4
141.23148	0.4
142.15991	0.6
145.58185	0.5
145.91228	0.5
149.02321	100.0
150.02509	0.6
166.95117	0.5
167.03354	6.4
184.07372	2.7
204.52834	0.6
218.98700	0.5
236.79491	0.5
285.38284	0.4
360.05240	0.7
382.60678	0.5
391.19989	0.5
391.24570	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	391.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63427	0.4
54.69695	0.5
54.81767	0.6
55.01811	0.4
55.05452	6.6
57.07015	10.4
64.33557	0.5
65.03857	1.0
67.05417	4.5
69.06981	3.2
71.08543	9.1
79.05420	4.8
81.06970	9.1
83.08540	5.0
85.06479	0.7
91.05411	2.5
93.03345	0.5
93.06971	5.3
95.08541	4.9
97.06445	0.7
104.27662	0.5
105.06971	3.8
107.08527	5.1
109.06456	4.9
109.10104	3.9
119.08536	3.7
121.02843	6.9
121.03677	0.8
121.06471	2.1
121.10101	3.6
122.10261	0.6
126.20628	0.5
131.08546	2.3
133.10126	1.3
135.08037	1.0
135.11667	2.8
137.09599	0.9
145.10083	2.3
147.11687	2.3
149.02316	100.0
149.13251	0.7
150.02663	2.4
159.11627	2.3
161.13126	0.6
165.12740	1.2
167.03418	7.3
173.13258	0.9
177.12694	4.2
192.71692	0.6
194.15334	0.7
229.19495	1.1
247.20511	5.1
264.23169	24.9
355.27448	0.7
373.28391	13.1
374.28851	0.9
391.21768	0.7
391.29492	26.9
392.29691	0.8
410.23303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80479	1.0
57.07007	20.8
61.03592	1.0
63.28807	1.1
68.01468	1.1
70.78590	1.1
71.08546	18.5
76.14050	1.1
76.35518	1.1
81.06942	1.2
83.08527	1.2
85.10102	2.5
89.05952	17.3
89.32286	1.0
121.02796	2.5
125.02467	1.3
126.18209	1.3
133.08525	4.7
148.89975	1.2
149.02310	100.0
167.03354	5.1
168.11279	1.0
195.12300	4.7
391.33881	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	0.6
54.81573	0.4
55.01799	0.8
55.05420	0.5
57.03362	0.9
57.06994	3.6
61.02851	1.0
67.05435	0.6
69.03336	3.3
70.06515	7.7
71.04878	0.6
71.08527	2.1
72.08058	2.0
75.13393	0.5
79.05392	3.5
81.03313	2.4
83.06017	0.7
84.04409	2.7
85.02823	11.6
85.06483	0.5
86.09615	0.6
91.05401	3.7
93.06959	0.8
95.04884	2.4
95.51799	0.5
96.08060	0.6
97.02824	3.6
99.04375	0.8
102.05453	0.9
103.05405	5.9
105.06988	4.4
107.04896	48.7
107.08524	0.9
109.02802	1.0
109.06448	0.8
110.07117	0.6
115.05372	2.2
116.07043	2.4
117.06905	0.7
119.08537	0.6
120.05704	0.8
120.08042	7.5
121.02800	0.8
121.06427	0.8
123.04327	1.0
124.05154	2.2
125.05941	1.0
127.03838	1.9
131.04837	2.8
133.06450	1.0
133.10170	0.7
134.10367	0.6
135.08020	16.9
136.07510	0.5
146.05911	0.7
147.04350	0.7
149.01160	1.1
149.02315	30.6
150.02649	6.4
151.03860	2.0
152.04626	1.1
154.06250	1.2
163.07503	35.3
167.06996	100.0
168.07346	0.5
180.07727	3.1
181.04910	0.6
181.08482	2.2
182.05373	0.7
195.08426	1.0
195.10132	24.8
213.11177	55.2
393.20691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.4
54.07820	0.3
54.28809	0.3
55.01803	1.9
55.05437	0.4
56.04976	0.9
56.41011	0.4
56.96487	0.4
57.03362	1.9
57.07013	3.8
61.02843	1.7
63.61728	0.4
65.03857	0.7
67.05418	0.7
69.03353	4.5
69.06973	2.1
70.06142	0.8
70.06507	17.3
71.04916	1.0
71.06817	0.8
71.08537	2.6
72.08064	0.4
73.02810	0.5
74.06023	0.4
77.96444	0.4
79.05415	4.0
81.03317	3.0
81.06985	0.6
84.04426	7.0
84.08072	4.5
85.02824	13.8
85.04797	0.5
85.06419	0.4
86.09620	6.0
91.05408	3.5
93.06973	0.9
95.04881	2.4
95.05939	0.4
97.02824	3.7
99.04369	2.0
99.35661	0.4
102.05460	2.4
103.03881	0.5
103.05379	5.1
104.24087	0.4
105.06964	4.9
106.04090	0.7
107.04897	49.8
107.08524	1.7
107.74828	0.4
109.02804	1.6
109.06438	0.7
110.07102	1.8
111.04350	0.5
113.07096	0.9
115.05408	1.9
115.08624	0.5
116.07039	2.3
116.98572	0.4
117.06954	2.2
119.04901	0.7
120.05666	0.9
120.08061	1.9
121.02800	1.9
121.06448	0.9
121.10096	0.4
123.04372	2.2
124.05165	2.2
125.05906	1.8
127.03859	3.4
129.10196	1.6
130.03468	0.4
130.06477	0.6
130.15877	1.8
130.87596	0.4
131.04871	1.7
132.08049	0.6
133.06508	0.5
133.10068	0.5
135.08015	16.1
136.07518	0.5
137.05959	0.7
145.04932	0.7
145.07576	0.9
146.05994	0.5
147.04372	2.2
147.08006	1.8
149.02309	34.3
149.05991	0.5
149.09601	0.5
150.02673	5.8
151.03830	3.6
152.04623	1.0
154.06241	1.5
159.09134	0.8
163.07506	30.6
165.05444	0.4
167.03354	2.9
167.06996	100.0
168.07347	1.7
180.07564	2.8
181.08463	0.7
183.11169	0.4
183.20175	0.4
188.06982	0.9
195.10107	23.9
213.11177	46.6
214.11510	0.6
216.74239	0.4
252.45184	0.5
279.02161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64436	1.4
55.05443	3.4
56.46697	1.3
57.03370	26.9
57.07011	47.3
67.05411	8.9
69.06975	7.8
69.81063	1.4
71.08545	26.8
73.47134	1.5
81.06961	11.7
83.08519	3.1
83.35519	1.9
85.10091	9.5
89.05943	1.9
95.08533	14.1
101.05949	7.4
102.52995	1.7
106.37575	1.8
109.10082	7.1
149.02325	24.2
150.02657	10.6
191.66235	1.8
248.19235	1.9
283.26260	100.0
284.26346	2.3
313.27347	26.1
320.27960	1.9
357.29898	25.9
392.32822	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33376	1.1
55.01801	1.3
55.05445	2.3
56.04964	6.5
56.96478	1.8
57.03367	1.8
57.07008	2.3
66.72128	1.0
69.03343	1.5
69.06985	3.2
70.06516	5.0
71.04903	2.0
71.08532	2.3
72.08077	5.7
74.05983	16.9
80.53054	1.3
81.06954	1.9
84.04424	5.3
84.08026	1.2
84.09978	1.6
85.02814	3.1
85.03961	4.7
85.06465	1.9
86.09622	5.1
91.05416	13.3
92.10255	1.6
93.06959	2.0
95.04871	1.2
95.08537	1.8
97.02819	1.7
99.04410	1.5
104.01616	1.3
105.06969	6.9
107.04893	9.0
107.08514	6.0
108.39233	1.3
109.10090	1.6
115.54742	1.7
116.01663	2.4
118.06488	3.0
119.04898	7.6
121.02730	1.4
121.06427	2.8
122.03112	1.3
126.05454	1.5
127.03786	1.8
130.06480	1.6
133.10133	1.6
135.11649	1.5
136.07535	28.7
146.05988	14.5
146.09944	1.5
149.02283	21.1
150.02632	13.7
154.06432	1.6
158.02657	7.3
161.09598	1.5
169.07559	1.7
176.17052	1.4
177.05452	1.4
179.10645	5.4
188.07004	9.3
197.11742	5.7
215.08037	2.2
243.01781	1.5
246.11618	2.1
254.71143	1.5
307.11398	2.4
314.15042	2.1
331.10703	1.7
347.04419	1.7
349.12515	18.7
365.05475	2.5
393.11472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2607
Annotation	Butaprost (free acid)
Peak:m/z	Relative Intensity
56.96498	5.4
57.07001	2.9
60.46570	1.2
66.48398	1.2
70.06468	1.1
71.08502	1.2
73.24503	1.3
85.60937	1.4
91.05382	1.3
93.16206	1.3
98.98364	1.8
100.39512	1.2
123.08033	1.6
123.46284	1.3
127.58150	1.3
146.99644	1.3
149.02298	13.7
150.02655	7.5
151.02982	2.2
174.43059	1.6
194.11467	10.7
195.17599	1.4
333.17267	9.6
351.18292	2.5
393.26016	100.0
394.26367	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	393.2609
Annotation	Butaprost (free acid)
Peak:m/z	Relative Intensity
50.68989	1.1
51.79434	1.2
56.96496	2.3
57.07007	8.0
58.71513	1.1
63.24444	1.3
64.13841	1.2
67.05421	2.1
69.06998	1.6
71.08543	3.1
80.12557	1.2
81.06979	1.6
86.09632	10.2
87.41331	1.3
92.10302	1.5
95.08513	2.8
98.98404	6.8
100.96736	1.9
109.10105	1.4
119.03104	1.4
149.02353	13.2
150.02626	3.0
151.02882	2.3
155.01033	7.7
184.07347	1.7
202.83797	1.4
311.18872	2.2
329.20050	1.9
393.26035	100.0
394.26224	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2609
Annotation	Butaprost (free acid)
Peak:m/z	Relative Intensity
51.12491	1.0
52.38557	0.8
57.06996	2.1
57.86163	1.0
67.05415	1.5
71.08525	1.5
73.82415	1.1
92.23360	1.1
105.78791	1.2
106.24870	1.1
110.07129	1.8
149.02312	10.2
150.02634	5.5
155.00925	1.2
179.63335	1.2
184.07301	2.6
206.43338	1.1
283.03122	1.9
299.06180	2.0
392.31458	1.2
393.25989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92411	3.0
55.05439	19.5
57.07008	5.0
58.22666	2.9
67.05425	56.4
68.18227	2.9
69.06987	12.9
70.02859	18.3
73.50307	3.5
74.02350	53.5
74.81644	3.1
76.51508	2.6
77.37801	2.6
77.57525	2.8
79.05408	27.3
81.06966	50.9
81.99587	3.5
82.22207	3.0
86.09631	6.9
87.05511	98.5
88.03915	81.3
91.05405	6.2
93.06985	37.5
95.04847	4.0
95.08530	55.3
105.06958	13.4
107.08538	16.4
109.10094	13.0
111.67828	3.7
116.03390	18.2
119.08544	6.8
121.10078	6.4
123.08121	3.2
131.08540	4.9
133.06055	100.0
133.10107	5.0
135.11700	3.6
141.84642	3.3
147.11684	3.8
149.02286	21.0
150.02649	22.5
204.39291	4.0
226.03908	3.8
261.22104	5.2
392.35815	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	393.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59544	0.7
52.98188	0.9
54.25821	0.8
57.06737	1.9
57.07013	44.6
92.64259	0.9
101.33676	0.9
125.07079	4.1
126.05466	4.5
128.93198	0.8
149.02362	1.4
168.83244	0.8
185.38255	0.9
208.14410	1.3
209.12814	12.6
210.11224	1.2
218.12901	4.5
219.11302	1.9
242.52475	1.0
275.17542	6.8
292.20093	7.6
293.18549	6.8
302.18619	13.6
376.25870	100.0
394.26932	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	393.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81660	1.9
55.05439	5.5
57.07003	27.0
57.92365	2.1
58.06523	4.8
67.05414	11.1
67.54927	2.0
69.06976	14.8
71.08535	27.5
73.94296	2.1
79.05394	4.9
81.06970	19.0
83.08524	3.1
85.10089	4.1
86.05994	4.1
89.05939	23.5
90.55727	2.3
91.05373	3.5
93.06952	10.1
95.04887	4.2
95.08523	13.6
97.06467	3.0
97.10081	2.5
99.07983	2.7
103.08636	100.0
105.06961	10.3
107.08556	4.8
109.06470	17.6
109.10140	3.4
111.80795	2.5
119.08530	3.7
121.10090	3.8
123.11639	2.5
131.08635	2.8
133.10083	3.5
145.10088	2.6
149.02306	4.7
150.02696	4.5
155.43958	2.4
165.12712	49.7
179.14294	3.1
195.12209	10.0
219.43280	2.4
235.16913	3.2
291.23102	46.1
320.25708	5.4
348.25259	29.5
377.32498	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	393.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21625	0.5
53.00227	0.6
53.03873	0.6
54.43150	0.5
54.43452	0.5
55.05195	1.0
55.05451	26.3
57.03365	0.7
57.07016	4.8
67.05081	1.4
67.05426	29.3
69.06612	1.0
69.06986	27.1
71.04884	0.6
71.08535	1.0
78.75347	0.7
79.05404	8.9
81.06973	38.5
82.06506	5.6
83.04901	1.2
83.08540	18.0
84.08064	1.4
91.05399	6.2
91.91664	0.7
92.11501	0.7
93.06973	13.2
95.04884	4.3
95.08530	37.2
97.06417	1.2
97.10090	4.7
105.06979	7.1
107.08541	9.5
109.06444	10.3
109.10101	18.5
110.05991	2.6
111.11682	0.8
119.08537	6.8
121.10123	7.4
123.08048	1.3
123.11636	6.3
127.08612	0.8
133.10080	5.7
135.11659	4.2
137.09581	0.7
137.13258	1.6
147.11658	8.0
149.02319	4.0
149.13216	6.9
150.02650	1.2
151.14885	0.7
161.13187	6.1
163.14728	1.1
165.12711	1.3
175.14790	3.6
177.82236	0.7
179.14249	3.5
182.15385	2.9
193.04874	1.0
196.16905	2.7
231.21045	6.9
232.84196	0.7
232.86642	0.6
238.25214	3.4
248.23656	1.3
249.22057	5.2
266.24728	89.0
267.24963	1.3
283.27557	2.5
291.20703	1.0
305.22305	1.2
335.98087	0.6
357.28836	3.4
375.29980	39.2
376.30249	1.2
393.31012	100.0
394.26108	0.7
394.31308	5.3
395.35303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31977	0.4
53.00213	0.5
53.03891	0.7
55.01791	0.5
55.05188	0.9
55.05451	25.4
55.22445	0.4
57.06999	3.0
62.42270	0.4
67.05077	1.0
67.05428	28.6
69.03355	0.7
69.06988	29.8
69.18199	0.5
70.06498	0.6
71.08559	0.6
79.05412	8.4
80.07218	0.5
81.06973	40.6
82.06493	6.9
82.82442	0.5
83.04902	2.5
83.08535	18.2
84.08063	1.3
85.06460	0.9
85.10088	0.6
91.05402	5.7
93.06970	11.9
95.04878	1.2
95.08530	39.2
97.06476	2.1
97.10104	5.0
105.06977	8.0
107.08540	9.3
109.06474	9.7
109.10106	17.6
110.05978	2.0
111.11671	0.8
119.08537	7.3
121.10102	8.3
123.07973	2.5
123.11656	5.2
127.08709	0.6
128.07025	0.8
129.86179	0.5
133.10080	6.0
135.11662	4.4
137.09578	0.9
137.13216	3.0
139.78024	0.5
147.11647	9.0
149.02313	1.3
149.13216	6.2
150.02734	0.6
151.02892	0.6
151.14798	0.8
161.13205	6.3
162.51161	0.5
163.14812	1.2
165.12689	2.2
175.14772	3.8
179.14282	3.8
182.15369	3.6
189.16356	0.8
196.16991	2.8
197.49713	0.5
215.42212	0.5
231.21010	7.5
238.25285	2.4
248.23712	3.3
249.22035	7.9
253.69341	0.5
266.24719	90.1
267.25070	3.3
283.27344	3.1
291.20499	2.0
305.22113	0.9
357.28900	3.7
375.29974	39.0
393.31012	100.0
394.31189	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	394.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	16.4
56.04979	3.8
56.96504	22.3
61.02429	2.8
70.02850	3.4
70.06512	28.2
70.25634	2.7
72.04421	6.0
72.08068	4.1
73.01064	11.8
73.22337	2.7
73.53360	2.7
74.00578	77.9
82.22223	3.0
84.04429	100.0
84.08081	15.9
85.02793	3.8
88.02146	66.0
90.05499	24.6
91.05403	12.3
91.65853	3.0
97.02812	3.4
98.02377	4.7
101.00546	6.3
102.05480	5.7
105.00040	12.3
105.03298	5.2
107.05984	3.3
111.04315	3.4
116.01624	61.7
116.03407	3.8
116.07037	6.6
116.98572	6.8
117.00034	76.6
119.04906	3.9
120.08025	4.9
126.05468	66.8
129.06587	3.7
130.03206	24.5
130.04990	13.5
131.01596	56.9
133.03157	3.9
134.99643	4.2
136.07561	13.7
144.01141	3.5
144.06506	41.6
147.04398	6.4
148.03122	5.2
148.04256	97.2
154.03241	3.4
158.02745	5.1
159.01089	17.1
170.02728	3.9
176.03754	3.6
197.01192	19.2
215.02245	17.8
215.04854	18.2
222.73454	3.1
229.06297	3.9
233.05849	18.0
240.40781	3.4
247.07394	45.2
248.05820	16.0
265.08481	66.5
295.69443	3.1
305.07935	15.4
331.87247	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	394.1972
Annotation	Glu-Phe-Val
Peak:m/z	Relative Intensity
50.92377	0.4
53.04767	0.4
53.60794	0.4
55.05457	4.6
56.04967	2.2
57.41524	0.5
58.53849	0.5
67.05417	1.3
67.07774	0.5
69.03347	0.6
70.06506	1.3
72.08073	43.3
79.05389	1.3
80.43238	0.6
81.03358	0.6
83.06073	0.5
84.03946	1.2
84.04432	28.6
84.08047	0.8
85.02823	1.1
91.05402	3.1
93.06964	1.0
95.04884	0.6
103.05403	8.8
105.06971	0.7
107.04870	2.7
109.10106	1.1
118.08609	8.8
120.08060	100.0
130.06476	1.0
131.04897	4.4
136.07611	0.9
138.09062	4.3
144.75215	0.6
146.05983	2.6
147.04424	0.7
149.05984	0.9
166.07271	1.1
166.08607	22.4
168.08011	4.8
183.11249	15.0
184.07568	1.1
184.09666	3.1
185.10687	8.5
186.09114	28.5
216.08771	2.8
217.09074	2.6
229.11807	4.4
231.11230	4.2
232.09595	2.7
236.44579	0.6
240.08620	0.9
241.09003	1.3
264.44479	0.6
265.15222	0.8
277.11780	0.9
330.18033	3.5
352.43451	0.7
358.17490	1.2
376.18585	15.6
394.15109	1.1
394.19577	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	394.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	1.2
53.03887	4.9
54.13862	0.5
55.01814	8.2
55.05451	10.7
55.80718	0.6
57.03375	8.7
57.07014	1.0
61.02852	6.3
64.33614	0.6
67.05426	2.8
68.71493	0.6
68.99708	1.4
69.03351	46.0
69.06989	56.4
70.06507	0.8
71.04910	6.1
73.02811	6.0
73.29241	0.6
79.05389	0.9
81.03339	24.1
81.06979	2.5
83.01247	0.7
83.08559	1.0
85.02829	100.0
87.00754	49.6
87.01289	1.3
87.89056	0.6
91.03870	0.7
93.06949	1.6
95.04887	0.7
95.08465	0.8
97.02827	35.5
99.04378	13.2
101.02309	0.7
103.03827	1.0
105.01810	49.0
107.02301	0.6
108.04418	1.6
109.02832	25.0
111.11666	3.6
117.01805	2.8
117.07012	0.7
126.05415	1.0
127.03876	50.6
129.01797	3.3
145.04939	20.1
147.02847	0.7
150.02696	0.7
159.02859	8.2
171.02823	0.9
189.03897	1.2
213.03963	1.3
231.04961	12.1
249.06018	7.8
272.07629	0.7
303.16782	0.7
394.20639	0.7
394.25595	2.9
397.54071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	8.1
55.01807	10.3
55.05459	8.5
57.03371	7.8
57.07000	1.1
57.11263	0.8
61.02854	7.8
61.63416	0.7
62.89037	0.8
67.05420	1.2
68.99709	4.4
69.03348	42.0
69.06988	40.6
69.32852	0.8
69.94639	0.7
71.04905	5.0
72.86786	0.9
73.02840	7.8
73.03175	0.8
81.03335	26.3
81.06963	1.1
85.02827	100.0
87.00752	42.2
91.03913	1.4
97.02224	1.6
97.02818	30.7
99.04391	10.5
105.01806	39.4
108.04417	2.1
109.02826	27.1
115.03898	1.4
117.01791	3.6
127.03873	57.6
129.01807	5.2
145.04933	18.9
147.02890	1.5
159.02859	11.0
211.48367	1.0
231.04968	12.0
249.05988	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	394.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01823	0.4
54.43035	0.4
54.81622	0.4
69.03313	0.9
69.06986	0.5
70.06516	1.7
71.40160	0.5
73.59555	0.5
83.08517	0.5
85.02816	0.9
86.09605	0.5
97.02808	0.6
109.32455	0.5
112.13973	0.5
117.56390	0.5
131.88643	0.4
136.20157	0.4
149.75726	0.4
173.40495	0.5
176.17834	0.5
288.19241	2.4
288.25320	1.9
394.25568	100.0
395.25751	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	394.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55203	1.1
52.71064	1.0
55.05436	3.3
55.39708	1.1
57.07006	5.9
59.06052	8.1
60.77089	1.3
67.05428	9.6
69.06990	6.9
71.08540	1.8
79.05392	1.4
81.06992	11.1
83.08512	2.7
86.09627	100.0
89.05950	53.5
93.06984	2.2
95.08533	6.3
98.27398	1.3
109.10065	2.2
132.10159	26.9
132.37816	1.4
133.08577	11.5
133.21883	1.4
148.14542	1.4
195.12245	29.0
394.33380	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43745	1.2
57.07014	89.4
59.90338	1.3
71.08546	63.7
71.54562	1.5
85.09646	1.7
85.10110	28.5
89.05957	100.0
107.07005	6.7
133.08588	26.4
151.09636	2.5
161.93686	1.5
177.11185	7.3
195.10509	2.4
195.12247	62.0
377.32550	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02447	1.5
57.07010	75.7
69.06992	1.8
71.08543	56.2
85.10101	27.2
86.61095	1.5
89.05949	100.0
92.10204	3.2
101.13050	1.5
107.06998	8.6
113.13186	1.5
133.08562	29.6
151.09625	3.4
152.85884	1.4
177.11206	5.9
195.12238	68.0
234.13190	1.5
364.91452	1.9
377.32498	28.0
378.32706	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	395.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81704	3.6
69.03690	4.3
69.11933	3.4
172.26024	4.5
172.73999	4.5
244.61874	4.4
395.09460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46423	9.8
75.97716	7.6
112.30314	8.4
121.63247	10.1
204.76884	8.7
252.00630	10.6
338.58994	8.7
383.43433	10.8
395.09372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27374	0.8
53.03890	7.3
55.01819	6.1
55.05442	4.3
57.03369	10.1
59.04930	1.0
61.02863	9.7
67.05431	1.9
68.99708	3.4
69.03350	51.8
69.06973	1.5
70.06499	0.8
71.01247	1.8
71.04897	5.0
73.02834	7.5
75.04404	3.8
81.03338	31.9
83.01213	0.9
83.04907	10.6
85.02830	100.0
87.00757	50.8
87.01294	1.6
87.04410	0.9
91.05421	1.4
95.04882	5.1
95.08556	0.8
97.02828	45.1
97.03454	1.6
98.42482	0.8
99.04392	12.8
100.11163	1.1
101.02315	1.2
103.03876	4.5
105.01814	35.9
105.06978	1.2
109.02837	26.2
111.04399	9.6
115.03909	0.9
117.01799	3.5
119.41082	0.8
120.04599	0.8
121.02817	0.9
123.04353	1.9
124.07500	0.9
127.03873	47.1
129.01779	2.0
129.05434	1.2
133.10175	0.8
133.93205	0.9
141.05368	1.0
145.04945	13.3
147.02808	1.1
147.08040	4.6
151.03946	1.6
159.02872	7.8
169.04880	1.0
171.02831	1.3
181.88020	0.8
187.06032	1.8
189.03899	3.7
193.32358	0.8
231.04904	7.7
237.07416	1.0
248.53848	0.8
255.08720	0.9
259.20370	3.2
273.05975	6.0
298.20853	0.8
360.17978	1.1
394.25552	9.8
395.26074	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	395.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	5.4
55.01806	4.7
55.05452	14.0
57.03371	5.0
57.07014	1.2
61.02850	5.2
61.63973	0.6
64.32906	0.7
67.05418	1.1
68.99704	1.5
69.02968	0.7
69.03349	35.6
69.06987	100.0
70.07310	0.6
71.04903	4.1
73.02832	3.1
81.03336	21.5
83.04887	0.8
83.08502	1.0
85.02827	62.5
87.00750	37.4
92.17362	0.9
97.02821	17.2
99.04408	7.4
105.01807	20.7
105.02459	1.3
107.08555	0.7
109.02832	16.4
111.11665	22.3
115.03899	0.8
127.03870	28.7
129.01810	0.6
129.12700	12.6
131.04880	0.6
145.04926	6.5
159.02902	1.7
173.10876	0.8
204.95065	0.8
231.04944	5.5
233.06421	0.8
253.41438	0.7
255.62738	0.8
284.27606	0.7
367.35944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00227	0.8
53.03894	4.5
55.01810	3.5
55.05449	13.5
56.96507	0.5
57.03372	5.4
57.06997	1.0
61.02847	5.2
63.66653	0.4
67.05423	1.1
68.99717	2.2
69.03347	31.4
69.06987	100.0
70.03671	0.4
70.06507	0.8
70.07327	0.6
70.24020	0.4
71.04903	3.0
73.02842	2.0
73.66051	0.5
74.05980	0.6
81.03334	17.8
81.93652	0.4
83.08539	1.1
83.68957	0.5
85.02823	56.4
86.03176	0.6
86.09596	0.5
87.00751	33.9
87.01300	1.1
97.02830	15.0
97.26664	0.5
99.04389	7.1
103.03880	1.0
105.01804	18.1
109.02824	17.1
111.11665	22.1
111.12400	1.0
115.03901	0.7
117.01833	1.1
117.06994	0.5
127.03870	28.2
127.04779	1.1
129.01831	1.2
129.12708	14.7
129.13623	0.8
135.76300	0.5
136.07571	1.2
145.04929	5.0
146.06117	0.6
147.13766	0.9
159.02901	2.9
171.02823	0.6
209.25594	0.7
213.03889	0.9
221.98048	0.6
231.04970	7.7
237.14664	0.6
249.05989	0.6
268.36456	0.5
296.25027	0.5
296.58542	0.6
323.14871	0.7
327.55450	0.7
368.37604	0.5
377.18256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33092	0.8
55.05455	12.3
57.03359	1.6
57.07007	2.0
67.05421	24.8
69.06979	14.1
70.02863	12.4
70.64721	0.9
74.02351	41.0
79.05389	7.2
81.06973	29.8
83.08521	6.2
87.05513	70.9
88.03912	100.0
91.05418	9.3
93.06966	9.3
94.83036	1.0
95.08525	23.6
97.06487	1.1
97.10112	1.3
98.02331	1.8
98.98318	1.1
99.00760	1.5
105.06960	5.1
107.08508	5.4
109.10110	7.7
111.07964	1.4
116.03391	16.0
118.04150	1.1
119.08501	4.7
121.10087	3.7
123.11693	2.3
126.90446	0.9
133.06055	68.6
133.10098	4.6
135.11670	1.7
149.13275	1.2
161.13234	1.3
176.57895	1.0
231.85043	1.1
263.23694	1.4
299.01181	1.1
315.23019	2.3
332.25739	1.4
350.26703	5.8
378.26236	4.7
394.32684	1.5
395.27673	1.9
395.33157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	0.5
58.99511	1.7
61.01064	0.8
61.02841	0.2
69.03339	0.2
69.06992	3.7
70.06495	0.3
70.07310	0.4
72.04414	0.2
74.02335	1.0
76.02142	0.3
76.56303	0.3
79.05396	0.2
81.03339	0.4
85.02830	1.1
86.03143	0.2
86.37837	0.2
86.98969	0.4
87.00690	0.3
88.02137	38.9
88.03905	1.1
91.05399	1.4
93.06957	1.3
95.04910	0.3
97.02834	0.3
99.01334	0.3
103.05384	3.0
104.01614	1.0
105.01858	0.3
105.06965	0.9
109.02837	0.3
111.11672	1.1
116.01588	0.4
116.03408	0.3
117.05703	0.3
120.08054	100.0
121.08379	2.1
121.10104	0.4
127.03873	0.5
129.12712	0.3
130.06494	2.1
131.07257	1.2
132.08044	9.4
134.04459	1.1
135.02588	0.5
144.08064	5.7
147.02602	0.8
148.07596	0.4
153.09122	0.3
156.08054	0.9
157.08812	0.8
161.04218	0.3
164.05252	0.8
171.10194	0.2
178.06805	2.1
180.98340	0.2
190.06810	16.2
191.07120	0.3
206.06371	0.4
207.09441	0.3
235.08954	36.9
236.09254	1.3
240.54359	0.2
263.08401	8.3
281.11307	1.3
298.71844	0.2
351.12518	0.2
396.07404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53874	0.4
53.03883	4.9
53.62721	0.5
55.01811	7.5
55.05444	0.9
57.03376	7.8
57.06997	1.0
61.02854	9.3
68.99703	3.2
69.03347	45.3
69.07005	0.6
71.01272	0.6
71.04909	4.4
71.08549	0.8
73.02827	6.3
79.97941	0.5
81.03335	25.8
82.03655	0.6
83.01257	0.6
83.04901	0.8
85.02827	100.0
87.00754	56.3
95.08382	0.5
95.30158	0.5
97.02823	33.1
97.06373	0.5
99.04385	12.6
101.02277	0.7
103.03873	0.8
105.01807	51.3
108.04416	1.2
109.02825	27.4
115.03893	1.0
117.01791	2.9
117.22110	0.5
123.02792	0.5
127.03878	49.0
129.01804	3.7
145.04936	18.4
159.02850	8.5
171.02875	1.1
189.03831	1.1
205.39793	0.6
213.03984	2.4
231.04936	9.7
249.06001	5.8
396.27332	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	8.3
55.43797	1.3
56.04978	3.1
56.96511	1.4
57.03358	1.5
57.07016	1.3
58.96272	1.4
60.04455	100.0
60.08095	2.3
65.55123	1.1
67.05430	13.6
68.04959	1.3
68.63245	1.2
69.06988	8.3
70.06522	1.4
74.05991	6.8
74.22952	1.4
79.05397	2.9
80.04965	1.4
81.06979	12.7
81.22581	1.2
83.08549	2.3
83.70442	1.3
84.02048	1.3
86.09635	6.8
91.05411	3.4
92.10834	1.8
93.06974	2.5
95.08540	9.3
98.98417	2.8
105.06890	1.4
109.10099	1.7
114.36857	1.5
119.08537	2.0
123.48361	1.4
124.99990	3.1
133.02734	1.3
184.07280	9.7
262.25381	1.7
280.26053	2.5
298.27322	27.0
368.47653	1.4
396.24988	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	396.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05216	1.1
55.05452	12.4
55.33089	1.1
57.06998	2.2
67.05078	1.6
67.05428	39.1
69.06985	14.7
70.02847	1.4
71.08542	1.4
74.02351	76.3
77.00797	1.6
79.05415	13.7
81.06970	36.7
81.90266	1.1
83.04906	2.4
83.08530	3.0
87.98328	1.1
88.03915	100.0
91.05404	9.3
93.06956	12.1
95.08535	27.6
97.86161	1.3
100.72871	1.0
102.20889	1.2
105.06991	4.7
107.08517	10.8
109.10089	8.8
111.04369	1.4
113.46709	1.2
116.03396	35.0
119.01867	7.9
119.07758	2.1
119.08536	32.0
120.33437	1.2
121.10110	5.6
123.11625	2.8
133.10088	4.8
134.04451	82.6
134.05464	2.9
135.11690	2.2
137.02924	6.0
146.92876	1.2
161.13217	1.9
254.10777	1.2
295.21024	4.8
313.22177	12.9
331.23218	6.0
351.59058	1.4
373.24243	5.6
396.27625	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78310	0.7
53.03896	6.4
55.01813	0.7
55.05440	1.5
57.03359	3.3
61.02855	1.4
61.44049	0.7
66.89793	0.7
69.03355	15.1
71.04909	5.7
73.02819	1.8
73.06472	9.6
81.03337	20.8
85.02831	78.1
86.86938	0.6
86.94379	0.8
88.44872	0.7
92.22263	0.8
97.02229	1.3
97.02825	21.8
99.04391	61.8
101.05957	1.5
103.03883	100.0
109.02836	15.8
127.03882	87.7
127.04624	1.1
132.52432	0.8
134.61156	0.7
145.04948	27.0
159.04385	1.9
163.05997	18.3
187.05957	3.1
205.07036	0.8
259.11707	3.9
271.08109	1.9
307.10269	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	397.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29980	0.6
53.03889	5.9
54.61462	0.6
55.01813	0.7
55.05444	8.7
57.03368	2.9
61.02858	3.2
69.03352	16.2
70.06512	3.6
71.04916	8.5
73.02824	2.9
73.06467	27.5
76.02166	1.1
81.03336	22.8
84.04403	1.0
84.08056	1.5
85.02825	83.3
97.02823	24.0
99.03728	1.6
99.04384	61.8
101.05939	7.4
103.03876	100.0
109.02828	20.2
110.07092	1.1
115.03898	0.9
118.36443	0.8
127.03871	93.8
128.04222	0.9
129.18094	0.6
131.04887	3.2
132.04442	4.1
145.04938	26.1
158.02773	1.2
159.04364	11.0
163.05991	16.4
169.08473	1.1
181.08572	1.0
187.05948	1.7
193.06418	1.6
199.09633	0.9
205.07089	0.9
259.11755	12.7
271.08218	1.5
289.09317	0.9
307.10223	3.4
343.13904	0.9
365.29083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14300	0.1
53.93819	0.1
54.41949	0.1
55.01807	0.2
57.03370	0.4
66.44141	0.1
69.03339	0.1
71.01270	0.1
73.02807	0.1
75.84650	0.1
81.15775	0.1
81.70002	0.1
84.08051	0.1
85.02821	0.4
85.68682	0.1
94.03996	0.2
96.42757	0.1
105.98174	0.1
106.95141	0.1
119.03484	0.5
127.03978	0.1
136.06163	100.0
137.04575	0.4
137.06485	0.6
232.82536	0.1
268.10352	13.0
269.10495	0.1
289.28973	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	398.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	3.1
55.01812	1.7
55.05441	0.5
56.04967	0.6
57.03365	1.7
61.02855	1.8
63.74899	0.2
67.05424	0.3
68.99722	0.4
69.03352	7.1
69.06990	1.1
70.06512	6.7
70.07304	0.2
71.04912	1.2
73.02830	1.7
74.05978	0.3
76.02135	0.4
79.05442	0.3
81.03337	7.3
81.06956	0.3
83.04916	0.3
84.04440	3.1
84.08073	3.9
85.02832	16.6
85.06436	0.5
86.09623	2.4
87.00757	8.5
91.05390	0.4
95.04904	0.4
95.05974	0.4
95.08543	1.1
96.04421	0.3
97.02831	9.3
98.97506	0.4
99.04384	3.7
99.08027	0.3
103.03892	1.9
103.05418	0.3
104.04933	4.3
104.10705	0.4
105.01830	5.3
107.04942	0.4
107.08528	0.5
109.02834	6.3
109.10107	1.4
110.07116	1.9
112.08689	0.4
116.98555	0.5
117.01798	1.1
120.08027	2.3
124.99939	0.6
126.05491	0.4
127.03876	10.2
128.04222	0.3
129.01788	0.5
129.10161	0.3
130.04997	0.3
131.04926	0.5
132.04424	100.0
133.04762	1.3
135.08026	0.4
136.07549	0.4
137.09575	0.6
145.02922	0.5
145.04927	2.4
150.05478	4.0
150.06557	0.4
155.10713	0.3
158.02780	0.4
159.02914	1.8
159.04399	1.1
160.04773	1.1
162.07701	0.5
163.06085	0.3
165.03735	0.3
177.05464	0.4
182.03432	0.3
184.07312	2.0
185.05238	0.3
188.05586	0.3
193.06386	0.4
201.11089	0.4
206.06839	0.3
213.03932	1.4
219.12366	0.4
231.04991	1.1
240.31226	0.3
266.08813	1.3
283.08459	0.6
398.12137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	3.9
53.23613	0.3
55.01798	0.5
57.03363	2.8
61.02853	2.1
64.34152	0.4
69.03352	13.1
71.01241	0.4
71.04901	4.9
73.02824	2.2
81.03335	15.2
84.08072	0.6
85.02827	64.7
92.65406	0.5
97.02224	1.1
97.02821	16.9
99.04385	46.4
100.04725	0.5
103.03878	100.0
106.06503	0.7
109.02829	15.6
114.46165	0.5
127.03874	87.7
128.04237	1.0
129.10159	0.6
130.06413	0.5
132.04396	3.4
134.05981	20.3
145.04938	31.7
151.65955	0.4
154.85460	0.5
163.05984	26.1
164.06407	0.5
187.05948	3.3
205.07117	1.2
233.14012	0.6
245.00829	0.5
271.08151	5.0
289.09113	3.5
307.10184	8.2
363.16367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	0.9
53.03895	5.0
55.01811	5.4
55.05453	12.0
56.96513	1.1
57.03374	8.4
61.02855	6.5
67.05445	1.6
68.04960	1.1
68.99709	1.9
69.03353	48.4
70.06516	3.4
71.04910	7.5
73.02836	4.2
74.44602	0.9
77.13112	0.9
79.05399	2.1
79.09158	0.9
81.03342	30.3
81.06997	1.5
83.01254	1.0
83.04918	1.9
83.08549	2.2
84.04446	3.9
84.08072	1.4
85.02830	100.0
87.00248	1.8
87.00762	47.5
87.01298	1.6
91.05395	1.4
92.10863	1.7
93.06996	1.2
94.91254	0.9
95.04876	0.9
97.02828	30.1
97.10122	2.2
98.97550	0.9
99.00790	0.9
99.04390	12.6
100.07567	1.4
100.11204	5.4
104.08971	0.8
105.01810	45.3
105.06982	2.0
107.04899	2.0
107.08553	1.4
109.02831	22.2
109.06435	1.0
109.10112	6.7
111.04404	3.7
114.05486	5.9
116.98569	1.3
117.01804	1.2
119.08559	1.7
121.06496	1.0
127.03883	50.4
128.07088	1.2
129.01805	1.7
133.10138	1.5
137.09616	3.8
138.05476	4.1
140.07098	1.0
143.08548	1.3
145.04945	9.2
147.02959	1.4
147.08098	0.9
159.02911	5.0
161.09628	5.6
165.09042	3.1
182.15381	13.4
184.56955	0.9
189.03978	2.2
210.14879	10.1
213.04016	1.9
219.23236	0.9
223.13266	2.0
231.04942	13.6
237.76250	1.0
242.01080	1.0
249.06123	4.9
337.21136	4.2
345.15421	5.0
355.22214	5.0
398.18109	2.1
399.38342	1.1
401.18268	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05423	1.8
69.06984	1.3
73.06388	0.9
75.59105	0.7
79.05411	0.9
79.45420	0.8
81.06972	1.0
81.41992	0.8
91.05410	1.0
93.04522	0.7
93.06960	1.0
101.05957	0.8
105.06983	0.9
121.46918	0.9
123.07964	0.8
139.07675	1.0
219.66357	0.9
243.04648	1.2
287.03650	3.7
355.16980	5.7
399.15857	22.5
399.19800	100.0
400.16214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	1.2
53.03882	0.4
55.01820	0.5
56.96503	2.9
57.03372	7.6
59.04931	0.8
61.02851	0.9
67.05424	0.4
69.03349	22.3
69.06987	100.0
70.06492	0.9
72.92024	0.4
73.02827	0.7
75.04404	2.6
81.03334	2.1
83.04909	0.5
85.02827	20.8
87.04390	10.1
87.08031	71.8
88.08400	0.6
91.05444	0.6
95.04897	2.7
95.08522	0.6
97.02827	16.3
98.97494	3.6
98.98418	0.6
99.04381	1.0
103.03892	1.1
105.03340	9.3
105.09084	36.3
107.87841	0.5
109.02826	0.6
110.07095	4.1
115.03870	8.7
116.98582	3.2
119.04939	0.8
122.07119	0.6
127.03903	3.0
128.98598	2.6
133.04945	4.9
134.99660	3.0
145.04968	2.0
146.99635	3.1
147.04413	2.0
152.06082	0.4
161.01170	0.8
165.00684	0.8
177.00716	1.1
177.05426	0.6
211.02832	0.8
213.04301	1.2
219.01768	2.1
237.02702	7.7
256.12970	0.6
278.73715	0.6
339.07468	4.4
339.11176	2.7
358.44775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1987
Annotation	Lys Asp His
Peak:m/z	Relative Intensity
55.05450	1.6
55.94923	1.0
60.27961	0.9
61.58860	0.9
81.07006	1.5
91.05393	1.4
121.10101	1.2
158.59543	1.1
184.07356	1.3
249.42812	1.1
287.03665	1.2
399.16342	9.0
399.20056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61769	0.9
53.00238	2.3
53.03878	1.1
54.81659	1.2
55.01805	4.2
55.05449	29.2
56.87728	0.8
56.96489	1.4
57.03361	4.0
57.07004	10.7
65.87543	0.9
67.05427	22.6
69.03353	9.5
69.06988	25.7
71.04905	2.2
71.08547	24.4
73.99348	1.0
74.09633	0.9
75.04351	1.4
79.05407	21.0
81.06974	45.9
83.04915	2.5
83.08546	7.7
85.06445	6.1
86.09648	1.1
91.05402	19.7
93.06971	36.4
95.04896	17.9
95.07973	1.6
95.08534	35.7
97.06436	8.3
97.10081	5.5
99.08037	14.2
105.06981	26.3
107.04933	1.3
107.08532	25.5
108.38712	1.0
109.06464	52.3
109.10100	9.1
111.08011	4.2
116.98605	1.6
117.06967	6.9
119.08532	22.8
121.06464	29.9
121.10094	14.2
123.08025	9.6
123.11668	2.4
129.06966	2.3
131.08522	14.1
133.10069	7.8
135.08035	14.6
135.11668	5.5
137.09581	2.6
139.11127	4.1
142.12238	1.3
143.08534	1.7
145.10077	15.0
147.07996	2.1
147.11674	8.3
149.09604	5.4
149.13229	5.1
151.11086	1.7
155.08504	2.5
157.10143	3.7
159.07993	1.1
159.11658	6.1
161.13171	5.0
163.11136	13.4
163.14807	2.1
165.12717	80.0
172.13109	1.1
173.13239	6.2
175.11081	1.5
175.14709	2.2
177.12730	17.6
177.14134	1.8
177.16281	1.8
179.14496	1.1
181.15846	9.5
183.11630	2.4
184.07243	1.7
187.11168	1.1
187.14734	2.2
191.14265	15.1
201.12776	1.5
205.06070	1.1
205.15790	1.7
215.14188	1.5
225.69527	1.1
229.07166	1.2
247.16940	1.2
251.16364	2.3
251.23625	1.2
261.22083	36.7
271.20416	4.2
279.23111	4.8
289.21555	100.0
290.22110	1.2
307.22577	24.6
363.25232	15.3
381.26245	66.7
382.26587	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81662	0.4
65.20562	0.4
66.60715	0.4
72.81158	0.4
82.35651	0.5
109.96752	0.5
140.77786	0.5
168.42052	0.6
184.07288	0.5
239.04272	0.5
318.94321	0.5
371.40326	0.5
399.30740	100.0
400.31021	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16469	0.9
53.03879	3.1
54.81689	0.8
55.01808	7.5
55.05442	1.2
56.96496	3.5
57.03371	20.4
58.02893	1.3
59.04924	3.6
61.02856	20.1
67.05431	0.8
69.03351	35.6
69.06979	4.5
70.06509	12.9
71.01257	4.3
71.04893	3.7
71.08543	1.5
73.02830	92.7
75.04360	0.9
81.03332	8.0
81.06940	1.1
83.04900	1.2
84.04420	3.5
84.08067	2.0
85.02827	100.0
86.09663	1.1
87.04397	7.7
91.03880	3.8
91.05389	3.9
93.06979	1.8
95.04871	3.6
97.02824	50.2
98.97515	2.1
99.04364	6.6
100.11140	1.4
103.03886	3.7
104.91536	0.8
105.03334	9.7
105.06995	1.3
106.03648	1.4
107.08569	1.0
109.02837	9.0
109.06438	1.0
109.10142	1.0
114.09112	5.3
115.03886	18.3
116.98569	3.3
120.08068	6.1
121.10114	1.0
127.03878	24.9
127.76256	0.8
128.46458	0.8
129.10220	1.2
130.05042	0.8
131.08537	1.1
133.04918	14.3
133.10089	1.6
134.05978	1.0
134.99626	4.5
135.07985	1.1
142.08621	3.4
145.04942	29.7
145.10147	1.6
146.99640	1.2
158.02704	1.3
163.05972	13.2
177.00606	2.1
196.64349	0.9
197.01163	1.4
215.02260	1.3
223.06010	1.7
237.02478	1.1
241.07065	4.0
251.14809	4.1
255.05470	1.5
259.08008	6.6
271.05920	1.4
278.95071	1.0
295.10141	1.8
401.13327	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	4.8
56.04972	1.9
57.07010	5.5
58.06532	0.8
61.01067	0.4
69.06990	3.8
70.06514	7.5
72.04430	63.9
72.99794	3.1
81.06975	0.5
83.08533	2.0
88.02139	100.0
88.07054	0.6
88.07557	14.2
102.09122	5.5
105.06945	0.6
128.39128	0.5
132.10182	0.9
156.69870	0.5
163.11156	4.5
178.49762	0.5
179.08884	2.3
182.06371	2.5
183.77899	0.5
216.61786	0.5
222.13092	2.2
238.12563	3.9
250.12573	6.8
288.10535	0.8
288.28485	0.5
338.34116	15.5
344.16714	7.7
382.36877	0.7
399.30695	14.5
400.23117	10.2
400.31192	12.1
400.37784	27.8
401.26511	1.6
416.32083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81557	1.3
55.05439	3.6
57.06997	3.6
58.42998	1.5
60.61970	1.3
67.20190	1.4
69.06985	6.3
70.06502	9.2
71.08549	1.9
83.08509	1.7
84.44997	1.4
86.09612	2.1
88.07535	9.0
91.05407	2.9
92.10905	3.5
119.08508	8.7
121.06451	23.0
132.10144	8.0
133.10046	2.7
135.08012	6.1
137.09590	13.2
149.13239	6.4
150.11201	6.1
161.09610	6.8
163.07477	10.5
163.45097	1.5
170.42847	1.7
177.12698	100.0
184.95773	1.5
203.10715	2.3
218.87944	1.7
219.13719	31.7
271.13257	2.2
272.20328	1.5
347.21640	1.7
381.80817	1.6
400.37756	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	401.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	1.1
56.96507	16.0
57.40976	1.0
60.61244	1.0
65.19872	1.0
69.07004	1.3
69.63297	1.0
70.06503	2.2
72.08055	1.4
79.05415	2.2
81.06960	2.9
85.02821	2.0
86.09634	2.4
91.05398	2.9
93.06965	2.1
93.24081	1.1
95.08525	2.2
119.04885	1.6
122.68583	1.2
145.01717	2.1
147.04402	7.1
151.03918	1.9
151.07872	1.2
163.02748	6.7
171.03206	1.2
173.04811	1.2
175.03857	1.3
176.98433	1.3
189.04259	2.5
199.06445	5.4
203.05836	2.8
207.06430	1.3
211.06400	2.7
217.07480	10.4
221.08110	4.5
229.07420	27.8
243.08961	1.3
247.08463	37.9
261.65408	1.4
269.10458	2.4
277.11115	2.0
287.11639	1.7
295.12057	17.7
313.13150	10.0
383.17261	6.0
401.18521	100.0
402.18924	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73587	1.8
53.00243	2.8
55.05439	16.9
57.03371	3.8
57.07014	100.0
64.61778	2.0
67.05436	25.5
68.26463	2.1
68.80907	2.1
69.03349	63.0
69.06979	15.5
69.43107	2.3
71.01250	2.1
71.08546	65.5
71.12967	2.5
73.02814	2.2
77.98055	2.5
81.03333	9.8
81.06976	32.8
83.08539	21.4
84.94621	2.7
85.02831	28.6
85.10098	31.7
86.09638	2.7
92.10266	2.9
95.08537	54.2
96.91965	2.6
97.02806	22.4
97.10079	9.5
99.04367	4.5
109.02807	4.1
109.10102	21.2
123.11648	3.4
127.03871	17.6
145.04883	6.9
203.35025	2.7
221.55652	3.1
239.23657	31.5
297.29712	19.3
298.29846	4.7
351.01068	2.5
400.28018	3.7
401.23602	3.8
401.28674	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00261	3.6
53.00523	2.9
54.81495	4.2
55.05448	19.4
56.98815	3.5
57.07009	96.3
65.75583	3.7
67.05417	34.6
69.03335	8.0
69.06983	17.1
71.08547	65.7
71.99711	3.8
79.05428	5.4
81.03329	4.8
81.06979	32.5
81.73772	4.5
83.08539	22.5
85.02831	9.1
85.10092	40.3
95.01894	5.9
95.08533	66.1
97.02821	100.0
97.10097	7.6
99.04382	5.4
109.02849	9.9
109.10086	30.4
123.11607	6.2
127.03855	27.8
133.06425	27.1
139.37848	4.3
139.51875	4.0
139.59509	4.6
144.74736	4.1
179.18494	4.7
181.99954	3.9
184.07317	4.4
205.07031	6.5
239.23599	65.4
317.19574	5.0
319.21265	36.0
337.22266	53.1
401.28894	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	401.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29727	1.4
53.00238	1.3
53.03871	6.4
54.81815	1.4
55.01799	9.3
55.05453	13.6
57.03362	7.7
57.07009	96.7
58.88189	1.1
63.99738	1.2
67.05128	1.9
67.05428	28.3
69.03350	14.6
69.06991	14.4
71.04893	10.5
71.08193	2.7
71.08544	53.0
73.02821	3.3
79.05396	1.4
81.03334	17.4
81.06967	29.6
82.34470	1.3
83.08543	14.9
85.02822	10.5
85.10095	27.5
85.73557	1.3
93.06931	1.6
95.08529	47.4
97.02821	100.0
97.10082	7.9
99.04381	36.7
109.02837	20.5
109.10101	17.8
113.83815	1.3
118.74709	1.4
123.11642	7.3
124.26015	1.3
127.03863	25.5
137.13203	1.5
145.04942	13.1
168.29887	1.4
189.65900	1.5
239.23618	22.9
257.24655	3.6
401.28787	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	401.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	2.6
53.03885	4.2
55.01806	4.2
55.05451	15.4
56.29864	0.9
56.64960	0.9
57.03369	2.3
57.07013	100.0
63.35482	1.0
67.05432	25.0
69.03353	13.8
69.06991	13.5
71.04903	5.7
71.08547	66.4
73.02812	2.0
79.05390	1.3
80.69444	0.9
81.03344	17.4
81.06974	34.8
81.68819	1.0
83.08537	21.8
85.02798	5.0
85.09632	2.0
85.10110	33.5
92.10276	1.5
93.06963	1.3
95.08534	47.5
97.02824	94.0
97.10084	10.0
99.04387	16.9
99.11656	1.2
109.02831	14.2
109.10111	17.6
111.11710	1.3
116.81307	1.2
122.18363	1.0
123.11662	7.3
125.13212	1.8
127.03887	19.2
137.13231	5.7
145.04924	1.5
171.08311	1.1
182.86392	1.0
189.08578	1.1
221.22635	2.6
239.23653	63.1
249.79250	1.1
267.03302	1.6
270.49606	1.3
314.29486	1.1
335.25534	1.3
383.27866	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41825	3.7
59.84296	4.2
62.28215	3.9
62.98191	100.0
73.86765	4.5
78.68421	4.6
79.34688	4.7
98.63488	5.5
129.20627	4.9
171.61693	4.8
276.46097	5.2
323.40344	5.5
401.29932	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29524	0.5
53.03872	1.2
55.05451	77.9
57.03368	0.9
58.99261	0.5
58.99526	5.9
61.01067	1.3
61.02851	1.5
69.03345	6.9
70.06512	4.3
77.00535	11.8
81.03333	1.0
81.06956	1.4
83.08537	100.0
84.04427	0.9
84.08008	0.7
84.08859	0.7
85.02824	13.0
86.09610	1.1
86.98969	5.2
87.04411	1.5
89.00534	4.4
89.05951	3.0
91.05402	0.8
97.02814	6.3
101.09597	10.8
103.03848	3.4
105.00032	7.6
107.04853	1.0
108.08082	1.5
109.02851	1.1
115.05748	0.8
123.01074	2.8
127.03883	1.4
135.04401	7.1
136.07631	1.2
151.03909	1.2
154.08627	3.7
159.08331	4.6
161.38988	0.7
173.20186	0.7
192.04684	1.2
204.04781	0.8
205.07040	1.0
205.08902	18.6
222.05785	6.8
223.09932	24.5
240.06812	5.1
267.10410	0.7
269.10852	0.7
287.09167	0.8
347.46698	0.8
413.14816	0.9
422.07364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	3.4
54.21689	2.3
55.01806	13.9
55.05452	4.9
56.04967	12.3
59.70543	2.4
61.31101	2.8
63.16354	2.5
67.05421	23.7
68.04934	3.6
69.03347	3.2
69.06966	5.8
70.06503	5.5
71.04893	2.8
72.04397	2.8
73.02831	3.2
74.00565	7.2
76.02128	12.4
79.05393	7.3
81.03331	3.7
81.06991	37.3
82.06451	3.3
83.08545	15.6
84.04437	5.9
84.37316	3.2
85.01018	4.2
85.02825	13.5
86.00562	14.0
87.02599	5.1
88.02129	6.5
90.05479	6.9
91.05402	3.8
93.06970	13.4
95.08534	27.3
97.01056	62.5
97.02828	16.9
97.06483	3.3
98.39275	3.3
99.04356	4.1
104.01603	5.1
105.06969	3.0
107.08539	17.3
109.02807	6.5
109.10084	6.6
110.53151	3.3
111.50378	3.1
113.04166	3.1
116.01622	7.3
119.08521	4.8
121.10141	3.3
126.05518	4.0
126.54555	2.9
127.03871	12.8
131.08543	3.6
133.10088	5.1
137.04156	12.7
149.02339	17.7
149.13187	3.7
158.02708	21.4
193.05003	9.3
193.06389	23.0
205.06975	4.8
210.18498	100.0
222.18416	4.0
234.18376	3.3
240.17665	5.2
244.66838	3.6
251.14613	22.4
264.19547	5.6
268.17273	60.3
285.19888	18.2
299.23108	6.0
310.32227	3.2
310.36154	3.2
344.54575	2.9
385.21335	5.4
402.24103	99.4
406.89728	3.9
407.57553	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	402.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01821	6.3
55.05451	45.8
55.58039	4.6
56.47907	4.8
57.03377	46.0
60.04868	4.2
60.69231	4.3
67.05427	100.0
67.53793	5.4
69.03351	10.5
69.06985	33.3
71.04910	20.6
79.05409	85.5
81.03343	25.5
81.06976	85.7
83.04890	9.1
83.08540	27.7
85.02831	19.9
91.05403	83.5
93.06975	94.8
95.04896	23.1
95.08528	69.6
97.02830	32.2
97.06474	34.0
97.10092	11.5
99.04353	9.5
105.06982	61.3
107.08549	69.6
109.02850	11.5
109.06435	8.8
109.10104	38.7
111.08015	7.2
114.37334	4.4
117.06940	31.0
119.08523	46.8
121.10111	31.5
123.08011	6.6
123.11666	6.7
125.09592	9.9
127.03897	10.9
129.06926	5.7
131.08562	36.7
131.31088	5.6
133.10091	32.0
135.11673	5.7
137.09647	5.0
139.11182	6.0
143.08510	8.2
145.10094	34.8
147.07922	5.5
147.11697	10.8
149.09604	9.9
159.11667	6.3
161.13327	5.0
165.79958	5.9
171.11711	10.3
173.13258	9.3
185.13214	8.2
195.74702	5.1
205.07086	8.9
275.20035	40.0
349.23724	10.6
370.16623	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	402.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65208	1.6
52.79840	1.7
53.03890	4.3
55.01798	3.5
55.05453	24.7
57.03377	36.0
57.77089	1.7
62.26149	1.8
65.03858	1.9
67.05430	43.7
69.03369	3.5
69.06978	19.9
69.69678	1.9
71.04906	4.3
75.04406	2.0
79.05408	56.4
81.03316	3.4
81.06968	52.4
83.04875	2.7
83.08541	10.0
85.02846	8.0
85.06456	4.5
91.05402	86.6
91.05949	3.8
93.06972	68.9
95.04889	15.8
95.08535	42.1
97.02821	13.6
97.06488	4.5
97.10098	2.4
99.08025	8.4
103.05382	3.8
105.03350	13.0
105.06971	100.0
107.08542	30.4
109.02829	3.4
109.06454	3.3
109.10101	10.5
113.05910	2.2
115.05406	3.6
117.06957	51.6
119.08531	73.3
121.06480	2.5
121.10097	15.6
127.03868	8.6
128.06216	4.7
129.06950	30.8
131.07042	2.7
131.08522	54.5
133.10083	26.1
135.08009	2.5
135.11702	3.4
141.06973	8.5
142.07794	3.3
143.08543	28.5
145.10107	43.5
147.11674	16.3
149.09541	4.5
155.08557	3.1
157.10091	17.3
159.11659	45.6
161.13260	11.1
163.11122	2.9
169.10138	8.0
171.11697	8.3
173.13242	21.9
175.14780	9.5
183.11674	8.0
185.13216	38.5
197.13235	8.5
201.16367	2.9
203.14331	19.4
205.07051	3.5
206.65269	2.2
217.15918	2.8
219.17520	9.5
229.19466	4.3
239.17892	15.8
251.16364	2.4
257.18817	20.3
275.20062	31.2
295.49847	2.1
335.50952	2.7
349.23630	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	402.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02980	0.5
51.65773	0.8
54.77310	0.7
56.33949	0.6
57.06779	0.7
57.07016	13.6
58.06519	3.9
59.54339	0.6
69.03350	0.7
69.97735	0.6
70.06140	1.2
70.06512	29.0
71.08549	6.5
81.03335	0.8
84.08107	0.7
85.02814	1.6
87.18217	0.8
88.07555	40.0
97.02133	0.7
97.02768	2.4
102.09121	20.5
103.09400	0.8
109.02837	1.2
121.06466	1.6
127.03899	0.8
142.77386	0.7
146.11690	1.1
150.11174	0.9
178.64928	0.8
205.07120	1.2
257.61090	0.9
296.33060	1.2
322.34515	0.8
323.30249	0.8
340.35678	62.4
341.35956	5.0
384.38324	4.5
402.39343	100.0
403.39508	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	403.1023
Annotation	Apigenin 7-xyloside
Peak:m/z	Relative Intensity
52.60128	0.2
53.87566	0.2
54.81165	0.2
57.03388	0.3
59.58171	0.2
67.05412	0.3
67.94687	0.2
68.99688	0.9
69.03345	0.3
70.06498	0.3
73.02808	0.4
74.30993	0.2
79.05408	0.3
81.03311	0.3
81.06972	0.5
85.02828	1.1
91.05412	2.4
95.04875	0.2
97.02807	0.3
105.06961	0.3
107.08557	0.3
109.06503	0.3
111.00714	0.3
117.07076	0.3
119.04896	1.2
121.10113	0.5
127.03823	0.5
131.04913	0.5
133.10068	0.3
141.06921	0.5
145.02795	2.3
147.08002	0.3
149.01236	0.4
149.02299	2.7
150.03146	0.3
151.03850	1.4
153.01797	9.6
159.04372	1.0
159.07953	0.3
165.01767	0.6
169.06477	1.4
172.64597	0.3
183.02980	0.3
187.07489	0.6
197.05968	1.8
215.04955	0.3
215.06976	7.0
219.06448	0.3
225.05493	0.4
243.06432	5.2
244.06979	0.2
253.04932	2.9
271.05945	100.0
272.06354	1.9
327.10098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17265	0.6
54.29298	0.7
57.69925	0.5
67.04155	1.0
67.05424	1.4
69.03348	1.5
69.06988	0.7
70.06504	4.4
71.04902	0.7
72.08064	0.9
79.05399	3.7
81.03329	1.0
81.06992	0.8
83.04900	1.1
84.04424	2.8
85.02820	4.8
86.09632	3.7
91.05398	1.3
92.78796	0.6
93.06976	1.4
94.06472	1.1
95.04901	1.2
97.02812	1.6
99.04414	1.3
103.05403	16.3
105.01826	0.8
105.03284	0.6
107.04885	8.5
109.02827	3.2
109.06450	0.9
109.10092	4.6
110.07077	5.3
111.04353	0.9
117.07028	0.8
118.06465	1.6
120.08066	9.5
120.29601	0.7
121.06430	0.9
122.05980	1.7
126.05475	33.8
127.03850	2.5
131.04887	5.9
136.03938	0.8
136.07530	1.5
137.05960	1.1
137.09561	5.5
138.05473	5.9
146.05975	3.9
147.04391	1.3
148.05153	1.5
149.05957	3.6
150.05498	4.7
150.49886	0.7
151.03906	4.9
152.07063	5.3
155.10643	1.6
164.07025	79.6
168.08101	1.4
170.09666	1.0
175.03853	2.8
186.09097	10.6
188.10637	1.4
192.06512	100.0
193.06911	1.5
194.08145	1.2
196.06006	2.9
199.89728	0.7
201.05464	0.7
210.07524	7.4
220.06001	29.2
232.09627	13.8
238.07042	81.0
239.07483	0.9
256.08060	20.7
278.10324	1.3
360.53726	0.7
383.63519	0.7
403.14893	54.3
404.09650	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30600	0.5
55.05449	0.7
60.08079	0.9
67.04166	1.5
67.05434	1.1
68.04960	0.7
69.03349	0.7
69.07001	0.7
70.06510	5.1
72.08070	0.8
74.05988	0.7
81.03340	1.3
84.08062	1.1
85.02824	1.2
86.09634	4.2
95.04903	1.1
95.05998	0.8
97.02827	1.4
98.97488	1.4
106.06526	0.7
110.07115	3.5
111.04426	0.7
116.98645	0.8
119.64510	0.7
120.08074	0.7
125.01649	1.5
126.05451	4.1
127.03188	0.7
136.03885	1.1
147.08078	0.7
151.03883	4.8
161.09637	0.7
164.07048	4.0
192.06502	4.8
194.11761	3.2
201.09010	4.9
211.07478	0.8
220.05991	1.0
222.11264	1.3
228.10147	21.1
238.07066	4.6
241.04791	0.8
255.06430	3.8
256.07065	1.2
256.09677	10.5
259.11453	1.3
263.12146	1.5
264.12317	0.8
328.09271	0.7
341.15652	6.0
343.13614	3.6
359.21729	1.1
403.15634	100.0
404.16016	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	403.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34685	0.6
50.89109	0.5
53.03876	1.3
55.05447	9.2
56.04966	2.7
57.03364	0.7
59.49988	0.5
61.02849	1.0
69.03347	6.2
69.06991	1.0
69.56864	0.6
70.02866	3.0
70.06508	23.7
71.04925	0.9
71.06830	0.9
72.08070	100.0
73.02805	1.0
74.02354	6.8
81.03334	3.9
82.06462	0.6
82.51213	0.5
83.06009	0.9
84.04431	7.2
84.08057	3.5
85.02832	12.3
85.03928	1.1
86.09628	85.8
87.00758	4.5
88.03905	3.2
91.05386	1.2
93.06998	0.9
94.85741	0.6
95.04861	0.6
95.05997	0.6
97.02834	3.5
99.04393	1.2
99.24879	0.7
102.05459	0.9
105.01811	2.5
105.06970	0.6
107.08501	0.7
109.02844	2.9
110.07124	5.3
116.07053	1.0
119.08511	1.2
121.06461	1.1
127.03877	6.5
127.04883	0.9
128.88904	0.7
129.10191	0.7
132.10150	2.6
133.06331	0.8
133.10080	1.0
142.08635	0.9
143.11804	2.7
145.04955	1.4
145.06186	0.7
147.08029	1.5
149.05960	0.7
155.11792	5.2
159.02872	0.8
161.09607	0.6
163.07571	1.0
173.05653	0.7
175.10751	16.6
183.11301	1.0
184.09630	2.7
185.16469	0.9
187.07433	0.8
187.55408	0.6
189.03819	0.9
189.12392	1.2
201.12308	35.8
205.05476	0.8
207.10161	2.4
215.10300	1.3
223.06367	4.0
225.11206	1.1
229.11794	14.5
245.11433	0.6
247.09711	1.4
265.07440	1.5
283.08551	5.8
283.16403	2.4
301.09631	0.6
328.18765	4.8
350.89078	0.7
363.04102	1.1
383.38962	0.7
385.20941	1.0
403.15353	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81822	3.7
55.01801	6.6
55.05456	34.2
57.03382	36.3
59.04956	4.2
60.20469	4.1
62.98310	4.0
67.05428	68.8
69.03349	5.0
69.06989	54.2
71.04913	38.4
79.05418	49.8
81.03328	26.7
81.06979	100.0
83.08545	9.0
85.06523	5.5
91.05409	57.7
93.06978	55.7
95.04916	31.8
95.08549	56.8
97.06483	32.6
97.10136	6.8
99.08023	24.1
105.06983	49.1
107.08540	38.1
109.06453	48.8
109.10102	24.1
111.08034	18.8
112.66877	4.1
113.06005	4.5
115.07505	17.7
117.06956	16.5
117.69363	3.9
119.08528	36.9
120.04435	5.8
121.06470	9.3
121.10090	27.5
123.08012	89.1
125.09556	6.3
129.06984	16.9
131.08533	23.6
133.10091	27.4
135.08025	9.9
135.11667	8.1
137.09674	14.2
143.08597	8.2
145.10095	23.6
146.44221	4.2
147.11665	24.1
148.69189	4.3
149.09554	17.6
149.13313	5.4
157.10118	4.8
157.32784	4.6
159.11630	7.6
161.13264	17.1
163.11139	6.4
171.11610	18.4
173.13210	6.5
176.76035	5.8
177.12712	5.9
189.12720	9.3
205.15846	8.1
207.13748	5.6
257.18903	7.0
275.20026	52.6
293.21072	20.6
299.18585	7.2
349.23730	8.0
367.24490	38.7
385.25635	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	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42810	0.8
53.03890	7.0
53.39391	0.9
55.01815	9.9
55.49176	0.8
57.03365	7.7
61.02857	9.7
65.77618	0.8
67.76523	1.0
68.99700	2.4
69.03350	39.5
70.06532	7.0
70.06832	1.0
71.01257	1.4
71.04898	6.7
72.08064	4.1
73.02832	11.1
77.99764	1.0
80.09969	0.9
81.03336	30.1
83.04877	1.4
84.04427	2.3
84.08066	1.5
85.02828	100.0
86.09624	1.9
87.00753	54.7
87.04375	1.5
91.03860	1.7
91.05396	5.5
93.06959	2.1
97.02224	1.9
97.02825	40.3
98.06019	1.1
99.04372	16.4
101.02363	1.0
103.03864	4.5
105.01804	35.1
105.06987	2.0
109.02822	25.5
110.07118	3.8
116.98540	1.1
117.01820	2.0
117.06956	2.0
119.04901	2.4
119.08494	4.2
121.06456	17.6
127.03873	52.0
129.01781	5.9
129.06989	1.6
133.10081	1.2
135.07994	1.8
143.08598	3.9
144.08049	1.1
145.04936	18.1
145.06441	4.0
147.02834	1.9
147.04391	5.9
147.07983	6.8
158.16600	1.0
159.02867	15.9
159.07968	1.2
161.09538	1.6
163.07527	2.0
173.05948	1.5
175.03870	2.2
181.04955	2.0
187.07477	7.8
189.03870	10.7
189.09135	1.6
205.08595	6.0
207.06592	1.7
207.10120	12.4
211.07588	1.5
213.03987	1.4
229.08591	8.3
231.04890	8.3
247.09462	7.1
249.06004	4.3
255.15245	1.1
315.08414	1.2
333.09503	1.5
369.11444	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	404.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10150	0.9
53.56995	0.8
56.96503	17.3
65.88449	0.9
71.95177	1.5
98.97512	90.1
116.98571	100.0
122.03609	6.4
124.19125	1.2
134.98587	2.0
134.99629	59.8
137.05946	61.3
140.00127	1.4
153.00714	11.6
158.01241	2.6
179.00200	1.4
197.01218	4.3
211.02696	2.1
215.02446	1.1
226.11122	18.6
228.09090	1.2
235.02727	31.4
238.01392	1.7
242.10529	1.5
244.12141	22.9
253.03784	97.1
268.12122	1.6
271.04755	9.0
276.05353	2.2
285.34525	1.1
303.39072	1.2
344.15149	4.0
362.16354	1.6
404.17343	60.9
405.17786	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	2.2
55.01809	3.5
55.05450	13.0
57.03370	2.4
61.02880	1.9
67.05419	8.0
67.86047	1.5
69.03341	20.9
69.06963	3.0
70.06512	15.4
71.04892	3.2
71.81796	1.5
72.08073	13.9
78.32750	1.8
79.05401	10.4
81.03326	8.8
81.06961	10.5
83.04888	3.5
84.04403	4.1
84.08073	6.7
85.02830	45.9
85.06485	14.1
85.06905	2.4
86.09666	2.5
87.00751	15.7
89.03915	1.6
91.05408	28.8
93.06959	11.5
95.04869	4.0
95.08533	10.0
97.02804	11.8
99.04382	6.4
103.05407	3.7
105.01810	8.3
105.06264	3.2
105.06969	86.5
107.04848	1.9
107.08560	19.7
108.04442	2.0
109.02823	9.1
109.06454	25.4
109.10099	4.0
110.07122	3.6
117.06957	10.4
118.08647	1.7
119.08533	95.4
120.08869	2.0
121.06468	13.1
121.10107	17.4
123.07995	19.4
123.11616	2.2
125.05984	2.2
127.03870	15.3
128.06155	2.3
129.06949	2.7
129.10205	1.9
131.00085	1.7
131.08492	12.9
132.09341	3.2
133.06456	3.4
133.10132	3.3
135.08017	2.4
137.09592	12.3
138.09036	1.6
143.08511	2.4
145.04938	3.4
145.06432	2.6
145.10098	24.2
147.08035	10.2
147.10480	3.6
147.11661	100.0
149.09610	15.8
151.07529	2.7
153.63272	1.7
156.09335	6.6
159.02887	2.6
161.09584	4.0
161.13251	3.0
163.11195	11.8
165.12743	6.8
187.07536	2.2
189.12689	48.5
207.10175	2.5
207.13760	87.0
207.15732	3.1
225.89894	1.8
229.08510	2.7
231.05077	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83853	6.4
53.26635	5.6
54.13033	5.9
55.01805	16.6
55.05264	5.4
55.05450	87.3
57.07008	53.7
61.24358	6.3
65.56358	7.4
67.05431	66.6
69.06984	100.0
71.08552	33.1
76.02177	8.3
79.05418	15.1
81.06967	69.6
83.04861	7.2
83.08526	50.9
85.02805	10.2
85.10133	27.1
86.99007	7.2
87.02623	7.5
93.06947	55.6
95.04866	9.7
95.08531	43.6
97.06467	14.1
97.10098	71.2
105.06953	11.9
107.08510	15.0
109.06486	8.0
109.10137	26.3
111.08009	14.3
116.69727	7.0
119.08492	8.6
121.10117	46.1
125.09601	8.0
135.11617	11.1
184.07280	10.8
212.33748	7.5
247.24220	11.0
255.21178	9.3
265.25198	38.2
269.03403	12.7
332.56583	8.3
333.27814	11.1
351.28696	43.5
387.25415	30.2
404.27756	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.118
Annotation	Chalconaringenin 2'-xyloside
Peak:m/z	Relative Intensity
53.03885	0.2
54.81280	0.3
55.01811	0.9
57.03374	15.7
61.02858	4.2
65.03859	0.4
66.61015	0.2
67.01788	1.1
68.99702	1.3
69.03358	2.2
71.01270	0.3
73.02832	28.6
73.31038	0.2
79.05400	0.3
81.03326	0.9
85.02823	3.4
86.09641	0.5
91.05408	3.3
92.10359	0.2
95.04905	1.9
97.02851	1.8
107.04907	2.4
109.02830	1.2
111.00786	0.3
111.04364	0.4
114.08741	0.2
115.03893	1.3
119.04898	13.2
119.08527	0.3
121.02831	2.3
121.06445	0.5
123.04382	4.3
123.08022	6.2
124.08344	1.2
125.02358	0.2
127.03845	0.4
129.70795	0.3
130.06528	0.3
132.04436	0.3
133.04918	0.2
133.10097	0.4
146.05919	0.2
147.04391	46.3
148.04688	1.0
151.03906	1.5
153.01807	100.0
154.02167	1.2
163.03888	0.2
165.01830	1.3
171.02859	3.7
173.12923	0.2
175.04012	0.2
177.01779	0.4
179.03372	1.3
183.02885	1.7
186.86641	0.2
188.07066	0.4
189.01830	0.3
189.05473	1.2
191.03357	1.1
195.02844	2.4
203.03336	1.3
207.02867	0.3
219.02794	1.7
221.90892	0.3
225.14841	0.3
231.02782	1.8
231.06421	0.3
249.03885	2.8
255.06425	0.5
267.04956	0.3
273.07523	93.9
274.07880	2.5
281.12656	0.3
285.07486	0.3
297.07632	0.3
311.55945	0.2
339.08670	0.3
351.08423	0.3
361.21155	0.3
369.09586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1176
Annotation	Chalconaringenin 2'-xyloside
Peak:m/z	Relative Intensity
55.01804	0.4
57.03372	19.0
61.02856	4.4
64.94271	0.3
67.01785	1.4
68.99695	0.7
69.03344	2.7
71.01240	0.5
73.02827	30.0
81.03347	0.6
82.71207	0.3
83.01262	0.3
85.02836	3.7
91.05398	3.4
95.04888	1.5
97.02821	0.6
107.04883	2.6
109.02877	0.5
111.04378	0.6
115.03861	1.6
119.04078	0.7
119.04894	15.0
121.02813	3.1
121.06488	0.4
123.04358	4.4
123.08012	4.4
124.08422	0.4
127.03871	0.4
133.04984	0.4
135.45845	0.3
147.04388	49.7
148.04752	0.8
149.79086	0.3
151.03868	0.6
153.01799	100.0
153.37221	0.3
154.02115	1.6
163.03874	0.4
163.56209	0.3
165.01808	1.3
165.74196	0.3
171.02835	3.3
177.01768	0.5
179.03342	1.4
183.02844	1.4
189.01820	0.4
189.05365	1.1
191.03317	1.3
195.02834	2.0
199.75409	0.4
203.03333	1.7
207.02937	0.4
219.02856	1.4
231.02814	2.0
249.03880	3.6
255.06506	0.7
273.07501	96.3
274.07849	2.9
285.07370	0.4
339.08536	0.4
351.08557	0.4
365.63547	0.3
369.09497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1752
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
51.02305	0.3
53.03889	2.5
55.01802	1.8
55.05446	7.1
57.03359	1.6
62.06007	0.5
65.03849	0.6
67.05077	0.6
67.05426	12.5
69.03009	0.5
69.03352	11.0
69.06976	1.6
70.06508	2.1
71.04896	3.2
72.08054	2.2
73.02822	0.5
76.56402	0.3
77.03869	0.5
79.05407	22.8
81.03333	7.5
81.06967	7.1
83.04903	5.6
84.08041	0.7
85.02823	6.5
91.05408	10.1
92.64070	0.3
93.06979	4.9
95.04893	12.1
95.08528	5.0
97.02811	2.2
97.06461	3.4
99.04383	5.5
103.05367	0.6
105.04495	0.4
105.06973	15.9
106.24432	0.4
107.04897	28.0
107.08537	3.1
109.02863	3.1
109.06477	5.8
109.10104	49.1
109.51743	0.4
110.10422	0.4
111.04399	2.5
117.06948	3.5
119.04899	0.5
119.08534	14.9
121.06463	3.6
121.10145	0.8
121.53285	0.3
123.04385	1.6
123.08007	1.8
125.05954	3.1
127.03925	0.6
128.06172	10.4
129.06964	6.3
130.07745	0.7
131.04919	0.5
131.08501	1.8
133.06459	2.2
133.10097	15.3
135.08026	1.6
137.05951	0.8
137.09589	55.5
143.06946	0.4
143.07146	0.3
143.08540	17.8
145.06433	1.6
145.10094	2.2
146.07233	5.5
147.08025	20.6
151.03853	2.3
151.11205	0.4
159.07996	1.7
161.09578	100.0
162.09930	1.4
163.11136	2.2
165.09073	48.4
166.09361	0.5
171.08012	1.4
174.06728	2.0
179.10637	8.6
188.06963	0.8
189.09074	7.5
192.72020	0.4
197.11740	1.8
207.10127	26.3
208.10394	0.5
225.11163	5.1
228.16563	0.4
246.19185	0.4
369.15283	2.5
387.16434	4.7
406.05505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01811	2.1
57.03362	6.3
57.07008	3.8
59.47649	1.4
59.76422	1.3
61.02853	1.8
65.40044	2.1
67.05421	21.8
69.03341	10.7
69.06987	5.9
71.04915	19.2
79.05401	24.3
81.03339	2.7
81.06998	3.5
83.04887	7.1
85.02824	38.7
85.06465	100.0
86.61543	1.9
91.05405	15.4
93.06972	26.5
95.04910	3.1
97.02829	7.8
97.06467	2.7
99.08007	1.8
105.06978	19.1
107.04898	10.9
107.08537	34.6
109.02817	2.3
109.06467	3.4
111.04372	13.5
117.06958	8.7
119.08533	16.3
121.06480	16.3
121.10106	29.6
125.05955	10.2
127.03771	2.4
129.06989	2.6
131.08530	85.8
132.83841	1.6
135.08043	3.3
135.11658	9.1
137.09535	11.1
145.10114	36.5
147.08041	6.1
149.05972	1.5
149.08408	2.8
149.09604	87.1
155.06963	2.0
163.07581	2.1
163.11134	28.1
165.09053	13.8
167.10638	36.8
173.09596	8.9
191.10629	59.5
192.10893	2.0
194.98851	1.9
209.11693	59.6
227.10500	3.3
227.12741	93.7
229.13426	1.6
336.89365	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01797	2.6
55.05444	2.7
57.03369	3.2
62.06026	0.6
63.00435	0.5
67.05420	3.2
69.03355	0.9
69.06989	7.4
71.04910	11.1
75.28283	0.4
79.05408	16.4
81.06977	2.8
83.04907	3.6
85.02818	1.2
89.91423	0.6
91.05409	12.4
92.10679	1.3
93.06972	16.4
95.04891	3.3
97.06467	3.4
105.06980	14.9
107.04901	7.8
107.08538	31.1
109.06458	2.8
111.04408	0.6
114.37478	0.7
117.06955	6.2
119.08572	4.8
121.06462	18.4
121.10091	16.4
123.04350	0.6
123.07999	1.8
125.05959	3.3
127.03849	0.5
129.06979	2.7
130.07742	1.1
131.08533	100.0
132.08871	1.0
133.06477	0.6
133.10103	0.6
135.04375	1.3
135.08022	2.7
135.11685	0.8
136.14194	0.6
139.07510	1.3
141.05437	2.4
143.08513	1.0
145.10089	25.9
147.08043	3.3
147.11700	1.0
149.05956	2.2
149.09596	48.4
150.09930	0.6
151.07504	0.7
153.05423	6.8
163.11145	14.3
165.09097	2.4
167.06996	1.1
167.10648	0.9
170.93765	0.6
173.09572	2.5
191.10641	22.7
209.11691	83.5
210.11932	1.3
307.97034	0.5
372.10544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99534	2.7
55.05228	2.9
55.05446	32.1
57.03381	4.7
57.07004	21.8
61.84026	2.7
67.05432	71.1
69.03348	3.5
69.06990	23.5
70.06517	20.1
71.08545	22.2
71.96349	2.9
72.12420	2.9
76.55889	3.1
79.05392	23.8
81.06982	100.0
83.08543	18.0
84.04417	5.3
85.06477	6.2
85.10112	25.1
88.07543	4.9
91.05419	20.0
92.10883	3.7
93.06993	40.1
95.08541	77.3
96.04417	16.7
97.06471	6.1
97.10125	7.1
98.05994	4.1
99.04339	3.7
99.08031	14.5
102.09042	3.7
105.07008	27.7
107.08550	32.3
108.08869	4.0
109.10107	27.0
110.19781	3.3
111.08081	3.6
113.09585	26.0
114.09105	5.8
117.07016	4.1
119.08549	16.8
121.10107	25.2
123.11659	16.6
131.08549	13.7
132.10153	8.2
133.10121	26.3
135.11696	13.8
144.06566	15.9
145.10121	13.7
147.11679	17.0
149.13261	8.3
159.11717	7.1
161.13261	6.7
163.14796	5.9
173.13246	7.5
176.12827	4.0
177.16382	4.4
187.14848	5.3
243.21039	6.8
256.26233	7.5
261.22086	7.7
279.23138	43.7
353.26843	51.1
371.27817	50.7
378.67245	3.4
405.35406	5.2
406.35214	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07014	14.6
58.06528	4.6
70.06139	1.7
70.06510	39.5
71.08543	4.9
72.08068	4.1
75.99726	0.7
84.08073	7.1
86.09637	9.9
88.07558	4.1
89.05939	0.9
104.44125	1.0
114.09129	4.5
132.10155	11.9
137.05997	1.6
146.11722	12.8
148.55510	0.8
160.12227	0.9
176.12833	3.2
190.14372	1.1
212.23683	5.1
238.25290	5.1
256.26413	3.0
285.23123	0.8
291.86896	0.9
291.90393	0.9
300.28912	70.6
301.29382	1.6
344.31531	28.8
349.21011	0.9
406.35199	100.0
407.35614	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81340	1.5
55.05449	1.4
57.07010	11.0
58.06536	1.2
70.06511	23.3
71.08543	1.9
76.55574	1.1
77.03881	1.2
77.47170	1.1
79.75175	1.1
84.08048	1.2
87.10191	1.1
88.07568	15.0
89.05927	4.6
102.09120	2.6
109.06477	1.2
114.09136	12.2
116.43559	1.1
129.32224	1.2
131.07547	1.3
132.10167	23.6
141.42937	1.1
143.43532	1.3
146.67249	1.2
160.82373	1.3
176.12778	14.0
180.25563	1.3
191.03809	1.4
220.15437	2.7
238.16467	7.7
242.24760	1.7
256.26321	10.8
300.29010	2.5
406.35199	100.0
407.36005	1.6
413.08136	1.4
424.85281	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94551	0.4
55.01807	0.5
55.05445	0.8
56.04970	0.5
56.46338	0.4
56.96492	0.5
57.03380	0.9
67.05418	2.2
68.01310	3.5
68.04949	11.6
68.99696	1.1
69.03346	1.0
70.02870	28.0
70.06506	3.0
73.02839	0.6
79.05402	2.8
80.04933	15.9
81.03331	0.8
81.06957	1.1
82.06496	7.4
83.04891	0.5
84.04427	11.7
85.02823	7.4
91.05408	4.5
93.06429	0.4
93.06974	2.7
94.02851	0.7
95.04896	0.7
95.08550	0.6
96.04409	2.9
97.02811	0.5
100.23396	0.4
103.05403	20.6
105.07014	0.6
107.04895	6.6
107.08538	1.0
108.04423	38.9
109.06475	0.6
110.05995	7.4
112.07539	2.2
113.57372	0.4
114.05495	4.2
118.06487	0.6
120.08057	100.0
121.06468	1.1
123.08012	0.5
124.03871	0.6
126.05486	10.4
128.04958	0.5
128.06161	0.5
128.07045	1.9
129.06920	0.5
130.04947	2.2
130.06525	4.1
131.04903	7.8
133.10110	0.6
136.03915	47.6
138.05470	6.7
140.03423	1.0
146.05981	2.8
146.09576	0.6
149.06003	1.0
153.01828	0.8
154.04964	35.7
156.06531	7.7
156.07817	0.7
158.09657	1.0
160.07562	0.5
166.08609	11.1
168.08086	0.8
170.09636	0.5
172.07527	0.6
182.04459	58.6
183.04768	0.6
184.07532	2.2
186.09103	49.9
187.09444	0.5
188.10652	6.2
196.06065	0.7
204.10240	2.0
232.09637	18.3
234.11218	1.1
242.06532	11.5
258.41418	0.4
275.13901	5.2
278.10236	4.3
301.11752	0.6
319.12833	2.0
347.12292	0.7
407.14328	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00224	0.3
53.03876	1.7
54.51083	0.4
55.01797	2.1
55.05217	0.5
55.05445	7.4
57.03349	0.6
62.06001	1.8
65.03864	0.6
67.05080	0.4
67.05428	13.0
69.03345	6.5
69.06985	1.6
70.06509	4.8
71.04904	4.1
79.04961	0.7
79.05405	20.6
80.05743	0.4
81.03335	0.9
81.06974	5.6
83.04893	4.6
84.04414	1.6
84.08051	0.7
85.02411	0.4
85.02825	3.7
86.09610	1.0
87.00776	0.6
90.70950	0.4
91.05389	9.0
93.06974	5.0
95.04893	12.7
95.08532	5.3
97.02840	0.8
97.06448	2.7
99.04378	3.3
103.03860	0.5
103.05405	0.4
105.04456	0.5
105.06976	16.8
107.04899	28.1
107.08516	4.0
109.02811	1.9
109.06483	5.5
109.10104	45.9
110.10410	0.8
111.04391	2.9
115.05429	0.6
116.07049	0.6
116.98536	0.5
117.06992	3.2
119.04964	0.5
119.08534	13.2
120.08039	0.8
121.06430	3.4
121.10128	0.6
123.04349	1.7
123.08006	2.1
123.11674	3.1
125.05910	2.2
127.03889	2.1
128.06187	9.0
129.06937	6.0
131.04878	0.8
131.08527	1.6
133.06412	1.8
133.09166	0.7
133.10100	13.9
135.08026	1.0
137.09589	61.2
138.09912	0.7
143.08531	18.2
145.06450	1.8
145.10059	2.3
145.32330	0.5
146.07208	6.0
147.08018	20.4
147.09175	0.8
155.06071	0.6
159.08020	2.2
161.09578	100.0
162.09911	1.8
163.11092	2.0
165.09074	44.1
166.09430	0.6
171.08035	0.9
174.06729	2.4
179.10643	5.4
188.07092	0.5
189.09030	7.4
197.11693	2.2
198.07130	0.4
207.10124	21.1
208.10503	0.5
225.11284	2.9
331.59787	0.5
407.12628	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59721	30.9
53.21257	29.9
55.05452	55.5
64.33617	40.4
67.05411	68.1
69.06981	46.8
76.45236	29.0
77.88644	32.5
79.05396	44.4
81.06960	79.4
86.09618	40.8
91.05379	69.7
93.06957	60.8
95.08501	100.0
105.06976	60.7
107.08577	32.7
109.10076	79.5
114.78342	37.3
121.06425	33.2
157.10155	33.3
159.28185	34.9
182.56940	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	407.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64787	0.7
60.37149	0.6
62.51873	0.7
68.42619	0.8
76.82440	0.8
80.50840	0.9
81.98223	0.8
82.74516	0.7
86.09619	1.0
93.42133	0.7
95.08523	1.6
146.55807	0.8
152.44139	1.0
184.07391	1.0
321.16571	6.0
325.12973	0.9
359.06653	0.8
369.40521	0.8
403.16855	0.8
407.23972	100.0
408.24329	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	5.0
55.01815	24.1
55.05447	53.9
55.43700	2.9
57.03365	14.6
57.07005	18.8
65.03885	3.7
67.05427	94.7
69.03355	29.0
69.06988	46.1
70.61123	2.7
70.88228	3.2
71.04919	4.3
71.08553	3.9
79.05401	56.6
81.03337	26.3
81.06979	100.0
82.07280	3.9
83.04888	20.2
83.08533	17.4
85.02828	4.9
86.09631	14.2
91.05402	69.5
93.06972	72.3
95.04902	31.8
95.08531	78.6
97.02813	5.9
97.06467	6.4
97.10097	6.2
99.04340	5.1
99.08022	3.6
105.03303	3.4
105.06971	69.9
107.04897	13.6
107.08543	41.3
109.06445	7.5
109.10140	21.6
111.04324	5.0
117.06987	24.7
119.08527	39.3
121.06487	8.4
121.10098	23.1
123.04439	5.2
123.08047	6.3
123.11608	5.0
124.99955	4.9
129.07007	5.7
131.08525	38.9
133.10081	17.7
135.08032	5.2
135.11661	12.4
143.08554	14.9
145.06465	8.1
145.10121	18.2
147.08028	6.4
147.11690	17.0
155.08630	5.8
157.10117	4.8
157.25854	3.2
159.11742	12.5
161.13226	7.4
171.11633	5.2
173.09337	3.7
173.13234	4.5
175.14673	6.9
185.13387	3.5
199.14818	4.1
227.58952	3.8
265.80658	3.9
275.23682	5.8
343.26315	4.5
353.24951	4.1
371.25787	21.5
389.26773	33.0
407.27972	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	408.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06189	0.2
94.17525	0.2
101.00821	0.4
110.66206	0.2
112.97590	0.2
118.50291	0.2
119.01878	6.9
134.99796	0.4
137.02924	4.5
142.56265	0.2
153.00912	0.4
158.99852	0.4
168.02533	0.2
177.00925	17.4
178.00987	0.8
182.99731	0.3
195.02019	0.4
201.00882	0.5
208.58487	0.2
217.04044	4.1
219.01978	32.1
220.02054	0.9
221.02023	0.4
225.00682	2.1
242.03641	0.3
243.01884	4.7
244.72476	0.3
256.95078	0.4
259.51349	0.2
261.03012	100.0
262.03171	3.7
263.02963	1.4
275.04675	0.5
276.26666	0.2
277.01025	0.3
284.04633	1.4
301.00937	1.6
302.01096	0.5
303.00876	0.4
304.00775	0.3
342.95331	0.5
367.01999	0.5
385.03152	5.7
386.02725	0.3
403.04156	14.7
404.04211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.0
53.89646	0.4
55.01798	0.6
56.33406	0.5
57.03368	2.0
61.02861	0.7
63.06945	0.4
69.03352	8.5
70.06508	1.1
73.02826	2.4
74.85968	0.4
80.71656	0.4
81.03330	6.5
82.26971	0.5
84.04397	0.6
85.02820	8.1
86.63509	0.5
87.00723	0.7
97.02838	3.8
99.04379	2.2
103.03861	0.7
109.02821	3.9
115.05409	19.6
116.04932	0.7
118.06449	0.7
119.26987	0.5
127.03857	4.8
127.87671	0.5
128.95872	0.5
130.06473	5.0
132.08049	5.0
137.60414	0.5
142.06497	100.0
143.07324	8.1
144.08093	5.2
145.04951	0.7
158.02754	0.6
158.06003	3.0
159.06735	2.0
160.07545	63.7
161.07930	2.4
188.06888	1.7
192.57303	0.5
233.15001	0.6
233.95067	0.6
294.05252	0.5
304.11841	0.8
322.12784	3.6
364.13821	15.4
375.66666	0.8
408.12778	32.9
420.34430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.18
Annotation	MK-2206
Peak:m/z	Relative Intensity
55.01814	29.8
56.04970	2.1
57.03363	1.3
58.99519	8.5
60.05563	1.2
61.01056	1.9
62.99010	21.6
64.33614	1.2
67.05418	8.2
67.91316	1.4
69.06990	52.5
70.02862	1.5
70.06515	20.0
71.04890	1.3
72.04433	10.3
74.00585	20.0
79.05430	1.6
80.71378	1.1
83.06017	7.3
84.03947	2.9
84.04433	79.8
84.08068	3.2
84.54041	1.1
85.06471	2.1
86.05992	6.1
86.98986	5.3
88.02138	8.2
88.03915	7.3
90.05485	11.3
91.05404	6.3
92.37740	1.2
93.06979	8.7
99.02642	1.5
101.04190	18.2
102.05479	2.1
104.01617	15.3
107.08533	1.7
110.07108	5.6
116.01639	33.0
117.03668	22.3
119.05235	34.8
126.05480	100.0
126.75214	1.3
127.04933	2.4
127.05762	8.9
129.06569	12.5
129.10179	2.0
130.04936	7.5
131.08513	2.0
137.31650	1.3
141.06621	1.5
142.04919	2.5
144.06537	44.6
144.08366	4.7
145.06833	25.6
158.02689	83.5
167.06992	6.8
176.03734	33.7
210.11900	1.7
226.97652	1.9
238.76041	1.5
244.09964	8.0
262.11047	62.0
267.43079	1.4
279.13721	44.4
301.12149	1.6
319.13135	12.5
387.34286	1.4
408.18173	11.2
419.78879	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2125
Annotation	Glu-Ile-Phe
Peak:m/z	Relative Intensity
56.04962	2.5
60.04450	0.5
69.06985	7.7
70.06496	0.6
72.73232	0.4
79.05406	1.5
80.44537	0.4
81.04454	0.5
81.06980	0.5
84.04427	42.3
85.02825	1.9
86.09626	55.4
91.05403	2.6
93.06950	1.8
95.04894	0.6
95.08520	0.6
103.05397	9.9
105.06973	0.7
107.04923	3.1
107.08530	0.7
118.06464	0.6
120.08054	100.0
121.08425	1.0
125.34847	0.4
129.06552	11.0
130.04987	0.8
130.06573	0.5
131.04910	5.2
132.10164	11.5
133.10088	0.7
149.05984	2.4
152.10678	0.9
158.09665	0.6
166.08591	26.0
168.08034	6.9
169.13309	0.6
184.07605	3.0
185.10704	13.1
186.09103	41.8
187.09399	0.8
197.12817	14.8
198.11243	2.8
198.56279	0.5
204.10213	0.9
225.12372	0.6
231.11243	5.6
232.09637	4.4
243.13303	5.9
298.19275	2.0
344.19501	4.6
362.20789	1.7
372.19104	0.9
390.20160	22.1
391.19019	1.8
408.21304	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42487	0.6
54.81139	0.7
55.05441	1.4
57.03359	1.6
57.07000	1.3
61.02848	1.8
61.74768	0.6
67.05441	5.5
69.03344	3.2
69.06983	14.4
71.04914	6.5
79.05375	6.1
81.03332	1.1
81.06975	10.3
83.04876	3.2
85.02828	16.3
85.06450	4.4
91.05406	18.6
93.06979	16.6
95.04910	6.4
95.08535	1.6
97.02811	3.8
105.06974	18.9
106.32662	0.8
107.08533	9.9
109.06477	17.9
109.10096	3.2
113.05956	1.2
117.06959	1.0
119.08521	4.3
121.10099	1.8
123.11626	1.6
127.03873	1.6
127.07549	1.0
131.08565	7.7
133.10094	100.0
134.10402	1.8
137.05952	8.5
147.11668	21.4
149.09586	2.8
151.07552	1.6
151.11157	60.6
152.11441	1.1
155.06998	16.7
157.10135	1.0
165.12697	3.0
175.11143	9.9
190.35922	0.9
193.12204	33.1
211.13257	77.9
212.13629	1.3
220.17567	0.9
229.14288	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	408.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	0.3
55.01808	0.3
55.05445	2.7
57.03361	1.3
57.07009	0.9
61.02864	0.2
62.06010	0.5
62.24755	0.3
65.03863	0.4
67.05427	7.3
69.03337	0.4
69.06991	5.4
69.59822	0.2
70.06501	1.4
71.04903	2.4
79.04958	0.4
79.05406	7.8
81.03342	0.5
81.06971	6.3
83.04896	3.6
83.08577	0.2
84.04423	0.6
84.08038	0.3
85.02825	2.7
85.06472	2.3
85.71234	0.2
86.09640	1.3
87.70777	0.2
91.05407	24.3
92.10861	0.8
93.06972	8.7
95.04892	3.9
95.08529	1.7
97.02813	0.3
97.06458	0.5
99.04375	0.3
103.05390	0.4
105.06973	24.6
107.04916	1.1
107.08525	3.6
109.06467	6.8
109.10093	1.4
113.05934	0.6
117.06978	0.5
119.08546	5.6
120.08052	3.0
121.10051	1.1
123.08005	0.6
123.11665	0.5
125.05954	5.5
127.03909	0.4
127.07513	1.0
129.06950	0.4
131.08537	9.4
133.10098	100.0
134.10443	1.6
135.08025	0.3
137.05952	3.5
137.09628	0.3
145.10103	0.4
147.11671	12.7
149.09579	1.0
151.07513	1.5
151.11157	13.3
155.07002	4.0
157.10136	1.2
160.07533	0.2
165.12726	1.4
166.08517	0.3
169.08672	0.3
175.11125	5.8
181.04890	2.3
193.12210	24.9
194.12555	1.1
211.11351	0.6
211.13278	12.0
211.15334	0.4
278.60999	0.3
408.24948	0.5
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	Blacknidine
Peak:m/z	Relative Intensity
55.05442	4.0
55.84665	1.3
56.04959	1.8
57.07030	1.6
67.05418	12.6
69.06978	2.3
79.05388	9.1
81.06957	11.1
84.04427	100.0
86.09620	2.9
91.05393	6.6
92.10868	2.8
93.06977	13.2
95.08540	8.7
102.05475	30.5
105.06963	4.0
107.08527	3.3
109.07600	2.3
121.10102	1.7
121.98138	1.9
126.70200	1.7
130.04973	46.1
148.06021	32.9
149.02289	3.8
184.07164	2.2
247.32924	1.9
261.22064	3.5
306.43320	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80679	1.3
56.99256	1.2
57.07015	54.1
59.26508	1.2
64.33118	1.4
65.19528	1.3
71.08549	33.6
73.06467	1.6
85.10112	17.1
89.05952	100.0
92.10254	2.0
97.10114	2.2
99.11670	1.6
99.88627	1.6
107.06999	5.7
111.82589	1.6
133.08569	25.3
148.98367	1.6
177.11217	1.9
195.12221	21.6
269.06326	1.6
285.27802	2.6
299.41443	1.6
307.24075	1.9
314.93484	1.5
391.34103	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	409.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96479	1.3
58.67073	1.1
70.06508	2.8
72.08005	1.4
74.02343	2.3
81.30200	1.6
84.04431	39.9
85.02848	1.4
86.09625	12.7
87.05482	2.0
88.03914	7.4
91.05413	6.2
92.63512	1.5
93.06963	1.8
103.05388	6.8
105.03353	1.8
107.04871	3.0
114.05490	3.2
116.03432	1.7
119.04907	2.6
120.08063	100.0
122.09552	1.6
131.04913	2.8
133.06064	9.3
136.07549	14.8
139.05028	2.4
147.04428	3.1
149.04582	1.7
151.48280	1.6
162.98125	3.8
166.07198	22.7
166.08618	12.8
174.03262	1.8
181.06128	2.1
184.07614	1.8
184.42813	1.8
185.10794	6.1
186.09093	31.9
209.05592	1.9
224.42154	1.7
226.08228	2.1
227.06598	6.2
231.11246	3.3
232.09694	2.6
244.09088	2.9
249.15900	2.4
281.11099	2.1
337.09613	2.0
391.15973	9.6
409.17349	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	409.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95054	0.3
74.02371	0.5
89.03841	0.5
91.05428	0.8
92.64373	0.6
93.23685	0.5
115.05411	2.4
116.86234	0.4
117.05711	2.0
117.06951	2.9
118.06496	32.8
119.06880	0.5
130.06474	2.7
132.08058	9.8
133.08322	0.4
142.06511	3.7
143.07294	4.3
144.08066	20.3
145.08517	0.5
146.05994	100.0
147.06332	3.6
159.09155	10.2
160.07523	1.1
160.09456	0.5
170.05988	7.7
188.07037	97.4
189.07402	3.1
205.09700	24.7
205.11646	0.8
206.10025	0.5
208.56293	0.5
309.39096	0.4
424.85391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51842	0.7
53.00247	1.8
53.03876	4.2
55.01802	4.4
55.05450	19.3
57.03362	5.5
57.07014	12.8
61.02850	7.8
63.14383	0.8
67.05427	1.4
68.99702	1.4
69.03352	30.3
69.06990	100.0
70.06507	1.1
70.07323	1.2
71.04896	4.0
73.02816	5.1
80.89556	0.8
81.03342	20.0
81.06979	0.9
83.08540	43.5
84.08881	0.9
85.02827	62.3
86.09573	0.8
87.00247	1.5
87.00756	38.0
91.03871	0.9
91.05404	0.9
97.02824	23.5
97.10061	1.1
99.04388	8.8
105.01806	25.3
109.02830	17.9
125.13246	4.3
127.03876	25.1
129.01808	1.5
143.14279	26.3
145.04947	6.1
159.02838	3.5
161.15268	1.1
197.10001	0.8
231.04933	4.6
328.12012	0.9
403.22333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73581	13.6
54.81385	15.9
57.06992	18.5
62.08177	16.2
64.33131	18.3
67.05421	20.9
71.08529	17.4
78.26955	17.5
86.09576	17.7
91.05421	20.5
93.06975	20.9
95.08537	25.9
98.98382	25.3
184.07259	20.3
210.08907	69.2
383.01419	17.9
399.32639	21.5
409.23480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07010	100.0
61.37011	5.9
61.56389	7.1
71.08534	76.5
80.32806	7.3
85.10101	39.8
89.05971	74.0
107.07046	9.3
107.08499	14.0
119.08562	9.4
128.00002	7.1
129.12390	6.7
133.08574	12.5
151.07521	35.9
159.11626	9.8
163.07535	11.3
165.09132	13.9
177.09070	35.2
179.10704	13.2
191.10689	7.9
192.49739	7.6
194.19519	8.0
195.12253	38.8
341.34854	8.0
429.66852	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	409.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82782	0.3
55.05448	1.7
56.04749	0.3
56.04967	2.9
56.58784	0.4
67.05430	5.1
67.95023	0.4
69.06966	1.5
69.66515	0.4
70.20842	0.4
79.05402	1.5
81.06968	4.4
83.08543	0.5
84.08067	100.0
85.06453	0.5
85.08423	0.4
86.09603	0.7
91.05418	0.4
93.06966	2.2
95.08540	2.3
100.55844	0.4
101.10781	0.5
104.91805	0.4
116.24894	0.4
119.08543	0.5
121.10078	0.4
129.10194	9.1
130.08603	13.3
147.11227	3.8
175.53354	0.4
184.07368	0.5
202.27287	0.4
346.31015	2.1
409.34140	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	410.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68575	0.7
53.03881	6.9
55.01810	9.7
55.05446	6.2
57.03377	5.2
57.07020	0.8
59.04922	3.9
61.02855	7.9
65.03855	1.3
67.05424	63.0
67.57974	0.6
68.99713	1.0
69.03346	46.6
69.06994	3.3
70.06497	5.4
71.04908	16.9
73.02821	7.3
78.97501	0.7
79.05404	4.3
81.03335	27.6
81.06973	9.1
81.92659	0.6
83.04912	0.9
83.08543	5.7
84.04421	1.5
84.08064	1.2
85.02824	100.0
85.06466	8.6
86.09613	1.2
87.00747	58.0
87.04394	1.8
90.39346	0.7
91.03873	1.0
91.05395	4.9
93.06979	5.8
95.04898	1.4
95.08540	3.7
97.02818	37.9
97.06451	0.7
99.04388	14.3
105.01807	45.8
105.06964	4.6
107.08514	3.1
109.02823	24.9
109.06475	1.0
109.10100	47.2
110.07121	1.0
115.03920	1.0
117.01778	1.5
117.94481	0.6
119.08533	3.3
120.08056	1.1
121.06427	0.8
121.10080	4.3
125.09569	1.5
127.03871	53.5
127.11131	10.3
129.01796	4.3
131.08525	1.2
133.10078	5.3
134.10420	0.9
135.07982	1.2
137.09561	3.1
139.11093	1.7
145.04936	15.5
147.02956	1.0
149.09627	1.4
151.11134	1.3
159.02840	9.2
171.02811	0.8
189.03891	2.8
189.09012	0.9
211.13072	0.9
213.03731	1.1
217.12192	4.1
231.04948	13.4
235.13255	3.5
249.05966	7.1
253.14304	1.2
295.15219	1.7
321.13239	4.7
328.19290	0.7
332.26688	0.8
339.14249	3.7
357.15112	1.2
411.15988	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	410.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68575	0.7
53.03881	6.9
55.01810	9.7
55.05446	6.2
57.03377	5.2
57.07020	0.8
59.04922	3.9
61.02855	7.9
65.03855	1.3
67.05424	63.0
67.57974	0.6
68.99713	1.0
69.03346	46.6
69.06994	3.3
70.06497	5.4
71.04908	16.9
73.02821	7.3
78.97501	0.7
79.05404	4.3
81.03335	27.6
81.06973	9.1
81.92659	0.6
83.04912	0.9
83.08543	5.7
84.04421	1.5
84.08064	1.2
85.02824	100.0
85.06466	8.6
86.09613	1.2
87.00747	58.0
87.04394	1.8
90.39346	0.7
91.03873	1.0
91.05395	4.9
93.06979	5.8
95.04898	1.4
95.08540	3.7
97.02818	37.9
97.06451	0.7
99.04388	14.3
105.01807	45.8
105.06964	4.6
107.08514	3.1
109.02823	24.9
109.06475	1.0
109.10100	47.2
110.07121	1.0
115.03920	1.0
117.01778	1.5
117.94481	0.6
119.08533	3.3
120.08056	1.1
121.06427	0.8
121.10080	4.3
125.09569	1.5
127.03871	53.5
127.11131	10.3
129.01796	4.3
131.08525	1.2
133.10078	5.3
134.10420	0.9
135.07982	1.2
137.09561	3.1
139.11093	1.7
145.04936	15.5
147.02956	1.0
149.09627	1.4
151.11134	1.3
159.02840	9.2
171.02811	0.8
189.03891	2.8
189.09012	0.9
211.13072	0.9
213.03731	1.1
217.12192	4.1
231.04948	13.4
235.13255	3.5
249.05966	7.1
253.14304	1.2
295.15219	1.7
321.13239	4.7
328.19290	0.7
332.26688	0.8
339.14249	3.7
357.15112	1.2
411.15988	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	410.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43155	2.9
55.05442	5.0
56.96190	3.1
57.03381	5.0
57.07015	61.9
65.30627	3.2
67.05418	18.2
69.06984	8.1
71.08565	42.7
80.23862	3.3
81.06992	26.3
81.96596	3.5
83.08540	5.1
84.06699	3.4
85.10094	16.9
86.09602	6.8
95.08508	25.2
98.98400	86.7
107.62692	3.6
109.10075	6.8
112.46606	3.2
123.11641	5.2
155.01009	100.0
205.34459	4.3
226.90665	3.8
239.23784	6.3
311.01205	3.9
393.23767	30.6
410.06613	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	410.2897
Annotation	Malyngamide W
Peak:m/z	Relative Intensity
55.05442	6.3
56.04975	3.0
56.47977	1.1
57.07004	18.3
58.16085	1.0
67.05428	19.7
68.00146	1.1
69.06975	5.6
71.08547	10.4
79.05398	3.2
81.06984	20.9
82.20528	1.1
83.08523	4.8
84.04425	100.0
85.02853	1.5
85.10106	5.6
85.53400	1.2
86.09616	1.8
89.05949	29.4
91.05408	2.4
93.06958	8.2
95.08536	10.6
98.98389	5.1
102.05478	31.5
105.06976	2.7
107.08537	2.0
109.10146	3.1
119.08588	1.5
121.10120	2.4
130.04959	44.8
133.08540	13.8
133.10100	2.9
147.11571	1.5
148.06017	36.8
155.01004	5.8
161.13106	1.3
164.09456	1.3
172.69043	1.4
172.95123	1.3
177.11154	1.7
218.15579	1.3
239.14804	16.3
282.63705	1.4
393.31870	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	410.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59751	5.5
55.05452	10.6
56.71029	6.2
57.07010	99.1
57.41575	5.9
59.06057	9.5
64.53131	6.2
66.89646	6.9
67.05421	28.3
69.06973	13.9
71.08541	49.4
81.06966	33.3
81.57398	6.3
83.08537	8.9
84.04407	11.7
85.10095	39.5
86.09607	13.5
89.05951	100.0
92.10177	14.1
95.08518	33.7
98.98399	91.9
109.10157	8.5
111.69948	6.9
130.05034	8.6
133.08559	33.1
155.01031	85.7
197.29958	7.0
239.14827	37.6
255.32245	7.6
290.97446	6.8
349.71371	9.5
393.24026	8.9
393.31900	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	411.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	1.4
56.49274	1.0
57.03365	6.3
57.97796	1.0
61.02851	2.3
67.05429	11.8
69.03341	10.9
70.06501	2.1
71.01276	1.4
71.04921	2.4
73.02793	1.3
81.03333	4.4
85.02828	9.6
85.06444	1.9
87.00755	5.0
97.02849	4.2
99.04377	1.4
105.01800	4.7
109.10045	4.1
127.03870	5.0
127.11172	1.5
131.08591	1.6
145.07587	4.9
146.08347	1.3
146.50069	1.3
147.09152	98.0
159.09087	2.4
160.86565	1.1
161.10703	1.6
179.54227	1.3
189.10127	2.3
191.08118	93.7
201.03673	7.3
203.05223	29.2
231.09935	4.7
263.13992	2.1
281.14899	44.2
307.12955	11.6
325.13892	52.9
350.13416	7.6
394.12326	15.8
411.16156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38865	0.4
64.06775	0.4
64.97153	0.5
67.19408	0.5
69.03360	0.7
70.06505	0.9
77.87683	0.5
80.02287	0.5
81.03330	0.8
85.02827	3.7
97.02810	0.7
99.04392	1.3
102.91038	0.5
103.03861	3.3
109.02826	0.7
110.09996	0.6
127.03913	4.2
183.55832	0.7
189.07091	0.6
257.34305	0.7
267.10718	1.1
269.53622	0.6
309.11865	0.6
411.16132	100.0
412.16586	3.0
424.72629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98119	0.5
53.03891	5.4
55.01824	1.0
57.03371	3.2
61.02854	2.6
67.05452	0.7
69.03357	14.3
69.06992	6.8
70.06506	6.0
71.04918	6.3
73.02833	3.7
81.03341	17.8
84.04446	3.3
84.08096	0.7
85.02831	74.7
87.04434	0.7
87.08030	1.5
97.02828	22.7
99.03729	1.2
99.04393	58.7
103.03886	100.0
104.04200	1.0
105.09118	0.7
109.02842	18.4
111.41692	0.6
115.03836	1.2
120.08076	1.0
127.03885	89.3
136.06174	4.3
145.04948	32.3
163.05994	25.6
163.07246	1.2
168.76779	0.7
187.05948	4.6
200.62338	0.6
203.05289	2.4
205.07025	2.7
221.87059	0.8
271.08130	2.7
289.09113	2.6
307.10248	4.7
384.33084	0.7
411.16071	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	411.2502
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
53.00234	1.1
55.05450	10.1
56.64369	0.7
56.96480	0.7
57.03110	0.6
57.03375	14.6
57.07009	61.1
58.07325	1.1
61.86896	0.5
67.05427	15.2
69.06992	11.1
70.06490	1.0
71.08546	37.1
75.04400	1.3
79.05376	1.3
81.06969	18.0
82.07268	0.8
83.08531	11.0
84.08066	9.5
85.10098	17.9
86.09626	1.3
89.05929	1.1
90.87827	0.6
93.06968	0.9
95.08527	24.7
96.08820	1.0
97.10101	5.4
98.98394	100.0
105.06911	0.7
106.44458	0.7
109.10096	10.3
111.11620	0.9
114.36281	0.6
115.49303	0.6
116.99456	5.6
123.11623	2.9
125.13212	0.8
130.08522	0.7
137.13217	1.3
152.78358	0.6
155.01010	66.3
155.06673	0.7
172.95232	3.3
173.02078	1.5
177.12669	0.8
180.10251	0.7
190.96216	0.8
194.82574	0.7
221.22629	0.7
224.10663	0.7
236.16356	0.6
239.21439	0.8
239.23631	9.2
313.27310	28.2
393.24045	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	411.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	14.3
56.64672	1.1
72.08069	100.0
74.56983	1.0
113.33304	1.1
125.82671	1.1
128.36716	1.2
195.81499	1.2
338.33972	2.1
424.97021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	0.8
53.03894	0.9
53.44142	0.7
55.01810	1.7
55.05448	13.8
55.81154	0.6
57.03358	3.2
57.07019	11.0
58.99526	1.4
60.08094	5.4
60.49184	0.6
61.02845	3.5
62.98997	20.2
63.39979	0.6
65.06707	0.6
67.05424	9.7
69.03053	0.7
69.03355	10.9
69.06987	100.0
70.06504	3.3
70.07293	0.8
71.04902	1.6
71.07274	1.0
73.01073	0.8
73.02817	2.9
74.00588	1.2
77.00533	1.3
81.03332	9.0
81.06976	1.2
83.08528	5.1
84.08051	2.8
85.02342	1.4
85.02827	32.1
85.82000	0.6
86.09143	1.2
86.09629	23.6
86.98956	1.2
87.00753	8.2
87.02616	14.1
87.04383	0.7
88.02135	5.0
88.03920	11.6
93.63244	0.8
95.08527	0.9
97.02267	1.0
97.02809	8.9
98.98390	0.8
99.04379	3.8
100.11186	3.5
102.05535	0.7
103.03906	0.9
104.10678	27.2
105.00048	0.9
105.01801	6.2
109.02859	6.6
109.10090	6.2
111.11662	17.3
120.01116	3.0
121.02870	1.3
122.02705	0.8
124.99956	11.6
127.03867	12.2
143.08846	5.2
145.04979	4.1
159.02850	1.7
161.09920	89.6
162.09978	0.7
164.07043	2.8
184.07301	26.8
186.13159	1.1
210.19574	0.8
215.10973	6.3
215.22850	0.8
229.14273	0.9
231.04845	3.3
232.13576	8.9
233.12044	25.6
250.14674	37.4
262.21774	0.7
264.68005	0.7
328.15543	0.9
411.33051	1.7
412.20697	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	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	3.7
55.01809	3.9
55.05449	10.8
57.03369	5.6
57.06992	1.0
61.02840	5.4
66.95723	0.8
68.99696	1.4
69.03346	32.8
69.06985	100.0
70.07302	0.8
71.04903	3.4
73.02815	5.9
77.55917	1.0
80.98738	0.8
81.03333	24.0
85.02824	68.9
86.03160	0.9
87.00749	39.4
92.10896	1.8
97.02821	26.0
99.04377	8.7
105.01808	25.0
109.02821	22.7
110.10161	0.8
111.11656	29.6
117.01768	1.7
127.03878	37.1
129.12709	17.0
145.04900	7.2
147.13757	3.6
159.02919	7.2
213.03790	1.0
231.04990	10.3
237.14803	1.4
249.06056	1.6
341.16037	1.3
359.16867	1.9
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
53.00244	1.0
53.03893	5.3
53.89265	0.5
55.01815	4.1
55.02037	0.5
55.05453	9.6
57.03366	4.7
57.05175	0.5
61.02859	5.0
67.05434	0.5
68.99722	0.6
69.03352	27.7
69.06993	75.3
71.04911	7.6
73.02841	4.1
81.03339	23.5
83.01263	0.7
83.04874	0.8
83.08511	0.7
85.02831	95.3
86.03152	0.6
87.00246	1.0
87.00755	21.7
87.04392	0.9
92.63554	0.6
97.02824	29.7
97.03459	1.0
99.04388	52.8
103.03884	98.3
104.04219	0.6
105.01158	0.8
105.01813	13.8
109.02837	24.4
111.11672	19.1
127.03880	100.0
128.04347	0.9
129.01759	1.3
129.11743	0.8
129.12724	16.4
145.04944	41.1
147.13733	1.4
159.02885	1.3
163.05986	30.3
180.59225	0.6
187.06003	2.8
205.06998	1.2
213.03857	0.9
213.78625	0.6
231.04974	7.8
237.14890	0.9
249.06094	1.3
271.08167	4.7
289.09137	3.6
307.10208	8.8
330.17581	0.6
359.16684	1.1
377.17853	2.6
412.26663	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	3.6
53.37872	0.4
55.01801	0.6
55.05447	0.5
56.96507	0.8
57.03374	1.8
61.02848	2.0
65.03865	1.0
67.05418	0.8
69.03355	13.3
69.06978	2.1
70.06509	2.2
71.04916	5.9
73.02829	2.6
79.05401	1.9
81.03342	16.3
81.06965	0.9
83.04910	2.1
84.08049	0.7
85.02831	74.5
87.04401	0.6
91.03884	0.7
91.05415	4.4
93.06978	3.3
95.04921	1.1
95.08546	0.8
97.02222	1.1
97.02830	18.4
97.03455	0.8
98.97516	2.6
99.04391	50.2
102.04610	0.6
103.03883	100.0
105.07005	4.0
107.04951	0.8
107.08541	1.0
108.13356	0.5
109.02834	16.7
109.06446	0.8
110.07097	0.5
111.04391	1.8
116.98566	2.3
117.05474	0.6
117.07026	0.6
119.04883	5.5
120.08085	0.7
123.43054	0.4
125.05968	0.5
125.47253	0.4
127.03880	89.6
128.04208	1.0
128.98566	0.8
130.04117	1.1
133.06450	3.2
134.99654	1.8
135.04399	0.6
135.11693	0.9
137.05948	5.2
141.05389	0.5
145.04941	35.3
146.99617	1.0
147.04399	10.1
149.05951	0.8
150.06776	2.6
151.03860	0.7
151.07500	1.8
158.99619	0.8
159.11649	0.8
161.05917	5.2
162.06746	8.6
163.05984	29.1
169.04929	2.0
177.00745	0.9
179.07042	1.2
187.06047	2.7
187.11028	0.6
189.00685	1.0
197.04454	1.7
205.07088	1.8
216.26660	0.5
217.14600	0.5
219.01678	0.7
237.02779	0.7
261.02789	0.5
271.08060	4.4
288.10324	1.9
289.09131	3.7
307.10181	9.0
327.08670	2.0
377.18210	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30304	1.0
53.03882	6.2
53.11568	1.1
55.01803	2.3
55.05447	14.2
56.04958	1.5
57.03365	6.6
57.07009	2.5
57.57431	1.3
58.06530	2.3
60.07819	1.3
60.08095	21.3
60.70754	1.1
61.02851	4.8
62.98988	2.9
67.05434	17.3
68.99698	2.2
69.03349	30.1
69.06987	70.8
70.06511	9.9
71.04881	1.7
71.07300	8.5
73.02814	6.5
79.08035	1.2
79.59226	1.1
81.03336	17.9
81.06966	2.7
83.04857	1.5
83.08533	2.2
84.04441	1.8
84.08054	5.2
85.02826	57.8
86.09627	71.2
87.00746	24.0
87.02602	5.1
87.04398	1.4
88.03889	5.5
91.05402	8.5
93.06968	2.7
95.08533	2.9
97.02820	24.3
98.98381	4.8
99.04364	6.6
100.11184	2.2
104.10680	100.0
105.01817	20.4
109.02815	22.8
109.10107	15.4
110.07104	5.2
111.11678	13.3
115.03899	1.2
119.45087	1.1
120.08071	1.9
121.02763	1.5
124.99956	41.9
127.03876	35.5
129.12718	12.7
131.27730	1.1
145.04996	8.7
147.13780	2.1
159.02827	2.9
161.09924	28.2
163.01524	1.5
173.11584	2.1
177.96251	1.2
179.12505	1.2
184.07306	89.6
215.11000	1.4
229.14275	2.7
231.04926	11.6
233.11934	5.1
239.85086	1.2
249.06087	1.6
250.14609	12.3
394.19452	5.5
412.20828	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30304	1.0
53.03882	6.2
53.11568	1.1
55.01803	2.3
55.05447	14.2
56.04958	1.5
57.03365	6.6
57.07009	2.5
57.57431	1.3
58.06530	2.3
60.07819	1.3
60.08095	21.3
60.70754	1.1
61.02851	4.8
62.98988	2.9
67.05434	17.3
68.99698	2.2
69.03349	30.1
69.06987	70.8
70.06511	9.9
71.04881	1.7
71.07300	8.5
73.02814	6.5
79.08035	1.2
79.59226	1.1
81.03336	17.9
81.06966	2.7
83.04857	1.5
83.08533	2.2
84.04441	1.8
84.08054	5.2
85.02826	57.8
86.09627	71.2
87.00746	24.0
87.02602	5.1
87.04398	1.4
88.03889	5.5
91.05402	8.5
93.06968	2.7
95.08533	2.9
97.02820	24.3
98.98381	4.8
99.04364	6.6
100.11184	2.2
104.10680	100.0
105.01817	20.4
109.02815	22.8
109.10107	15.4
110.07104	5.2
111.11678	13.3
115.03899	1.2
119.45087	1.1
120.08071	1.9
121.02763	1.5
124.99956	41.9
127.03876	35.5
129.12718	12.7
131.27730	1.1
145.04996	8.7
147.13780	2.1
159.02827	2.9
161.09924	28.2
163.01524	1.5
173.11584	2.1
177.96251	1.2
179.12505	1.2
184.07306	89.6
215.11000	1.4
229.14275	2.7
231.04926	11.6
233.11934	5.1
239.85086	1.2
249.06087	1.6
250.14609	12.3
394.19452	5.5
412.20828	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31544	0.2
50.78894	0.2
53.03889	0.4
53.70510	0.3
55.05455	2.5
57.07007	0.5
62.90910	0.2
66.20573	0.3
67.05428	2.3
69.06991	2.4
71.08552	3.8
77.70699	0.3
77.90565	0.3
78.56379	0.2
79.05408	4.4
81.06972	4.7
83.08569	0.5
83.09740	0.3
91.05407	1.3
93.06989	3.1
95.04887	2.0
95.08514	3.7
97.06469	0.6
99.08011	1.5
103.05428	2.4
105.06973	100.0
106.07325	0.6
107.08571	2.1
109.06474	4.1
109.10104	1.5
119.08552	1.7
120.08055	0.5
122.09617	25.9
123.08025	0.5
123.11658	0.3
133.10120	0.6
147.11667	0.4
148.07576	0.6
149.13373	0.3
151.11166	0.3
165.12689	4.9
175.14754	0.6
255.43115	0.3
291.23132	4.3
314.24713	2.3
394.30902	0.4
412.31995	19.0
413.32440	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17323	0.9
53.03877	6.6
55.01801	1.2
56.96486	5.4
57.03358	4.4
59.53126	0.8
61.02849	3.6
66.85258	0.8
66.99545	0.8
67.38677	0.8
69.03343	19.8
70.06497	1.3
71.04908	13.3
73.02822	4.9
81.03334	21.7
83.04859	0.9
84.95940	0.9
85.02822	79.3
89.05936	5.4
91.05385	1.8
92.10323	1.5
93.71561	0.9
97.02821	30.1
98.97494	4.1
99.04379	63.2
103.03871	98.9
103.90242	1.0
106.92171	1.0
107.07027	1.2
109.02828	22.9
110.07088	1.5
116.98572	1.7
117.05424	1.3
119.04893	6.1
127.03867	100.0
128.04227	1.0
134.99573	1.7
145.04922	30.3
146.99626	1.0
147.04361	12.0
151.03844	1.4
160.58197	1.0
163.05972	22.3
187.05986	1.9
205.07021	1.0
215.02299	1.3
239.02161	1.0
271.08112	5.0
275.11197	2.4
307.10074	2.2
333.64044	1.2
339.10962	4.7
341.85712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1778
Annotation	SU 11652
Peak:m/z	Relative Intensity
51.11752	0.5
51.19598	0.6
56.02170	0.5
56.04963	2.7
56.96508	0.6
60.05588	0.8
67.05442	0.9
69.03356	0.7
69.06383	0.6
69.06995	1.5
70.06506	42.7
71.06836	1.5
72.08034	0.6
74.01945	0.6
81.03311	0.7
83.04905	0.6
83.06026	1.1
84.04429	14.7
84.08071	8.1
85.02829	3.5
86.09615	7.4
87.66545	0.7
91.05367	0.8
96.04401	1.1
97.02833	2.6
101.07051	0.9
102.05479	2.5
110.07122	6.9
112.08694	1.3
113.07074	0.9
115.08644	1.4
120.04420	1.3
121.06430	0.8
129.10179	3.9
135.96828	0.6
141.06595	1.4
148.03931	1.1
151.11212	0.6
152.59521	0.6
187.10768	2.7
187.50198	0.7
195.11160	0.7
203.05231	4.6
218.28445	0.6
232.02983	0.7
233.11505	0.7
234.08017	0.7
251.12546	1.3
259.12790	0.8
276.15759	0.6
313.43805	0.8
413.17731	100.0
414.18048	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	413.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08626	1.2
53.03872	1.4
55.05448	2.8
55.10900	1.3
56.96489	6.0
57.03367	16.3
57.48785	1.0
59.04943	1.3
61.02848	1.8
69.03323	6.0
69.06990	76.7
70.06514	2.1
71.04910	58.7
73.02815	3.4
74.46015	1.3
75.04389	5.9
81.03353	1.7
83.04915	14.9
85.02831	100.0
87.04378	2.1
87.08035	56.1
91.05368	1.5
97.02809	5.8
98.97545	2.5
99.04376	5.7
103.03866	8.1
105.03323	2.2
105.09083	29.0
109.02787	2.1
109.47631	1.3
111.04374	8.9
116.98567	5.1
119.04922	1.9
120.90800	1.4
127.03889	9.8
129.05412	14.2
134.11603	1.7
134.99648	2.8
145.04906	2.7
146.19460	1.3
147.04396	5.7
147.06483	7.9
171.64685	1.3
197.01096	2.3
202.11861	1.5
215.02211	3.3
245.36905	1.4
355.01035	1.4
413.14273	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	2.7
53.73189	1.3
54.34435	1.3
55.01788	1.8
55.05435	1.7
57.03357	2.2
63.79724	1.5
67.05419	9.8
69.03352	18.0
69.06979	1.9
70.06499	2.9
71.04901	9.5
79.05397	7.2
81.03329	14.6
81.06963	6.9
82.47242	1.6
85.02830	16.8
85.06472	2.3
90.70314	1.6
91.05392	8.9
93.06963	7.8
95.04897	6.6
95.08521	9.7
97.02792	7.9
97.06499	1.8
105.06967	9.4
107.08538	15.0
109.02821	12.5
109.06469	100.0
109.10100	33.0
111.08001	1.9
117.06900	2.3
119.08519	2.8
121.10090	6.8
123.07985	16.7
127.03864	8.0
131.08505	15.9
133.10123	15.7
135.08011	38.9
137.09665	3.3
143.08571	1.8
145.10141	2.1
149.09602	2.7
149.13248	1.9
153.09070	2.6
158.10832	2.3
173.13177	15.5
191.14253	40.1
196.74324	1.5
204.87219	1.7
209.15286	17.1
251.13812	1.9
264.95370	1.7
276.33893	1.7
414.17838	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	0.5
54.37547	0.4
55.05448	1.2
56.41429	0.5
63.95401	0.4
67.05422	2.6
69.03343	5.1
69.07005	1.4
72.50704	0.5
74.60407	0.5
74.67014	0.4
78.67065	0.5
79.05412	4.5
81.03349	0.9
81.06978	7.2
83.04894	1.0
83.08534	0.5
85.02835	1.0
91.05405	5.2
93.06961	2.5
93.60900	0.5
95.04910	0.8
95.08542	0.8
97.06481	0.6
103.63464	0.5
105.06972	7.6
107.04903	2.2
107.08537	18.5
109.06495	3.8
109.10114	7.8
115.05402	1.0
117.06962	2.0
119.08563	3.0
121.06464	1.1
121.10103	13.1
122.07259	5.3
127.03867	0.8
129.95132	0.5
131.08521	2.6
133.10101	100.0
134.10455	1.0
135.08032	9.0
135.11656	0.6
137.09599	54.3
137.96388	0.5
138.09914	0.6
143.08569	0.7
145.10107	2.1
147.11673	0.8
149.09647	0.7
149.13232	8.5
151.11237	0.8
158.10905	1.1
163.14827	0.8
173.13206	5.1
191.14284	23.4
191.16057	0.9
209.15433	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	413.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22438	0.3
53.03888	0.5
53.35089	0.3
55.05444	2.0
57.03345	0.3
57.07007	0.7
59.19633	0.3
67.05421	2.6
69.03351	6.1
69.06977	2.1
74.04936	0.3
75.90055	0.3
79.05416	4.9
81.03323	0.8
81.06972	6.9
83.04888	1.5
83.08552	0.5
83.28501	0.4
85.02824	2.2
91.05417	5.2
92.10853	0.6
93.06951	3.7
95.08549	1.8
97.02827	1.6
103.05406	0.3
105.06982	8.0
105.72170	0.4
107.04895	2.0
107.08538	19.1
109.02847	1.5
109.06463	5.3
109.10117	7.4
111.80512	0.3
115.05392	1.7
117.06955	2.2
119.08543	4.0
121.06431	1.9
121.10094	12.8
122.07244	5.4
123.07999	0.6
127.03895	1.4
128.91963	0.4
131.08548	2.6
133.10095	100.0
134.10475	0.6
135.08008	8.9
135.11678	0.7
137.09592	59.4
138.09967	0.5
143.08507	0.6
145.04910	0.5
145.10077	1.5
147.11664	1.9
149.09550	0.6
149.13228	8.7
151.11118	0.5
158.10884	2.0
163.14801	1.7
173.13206	4.4
187.06061	0.5
191.14273	21.9
207.93692	0.4
209.15341	2.9
353.28647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86082	0.3
55.05447	5.1
55.74125	0.3
57.03370	2.0
57.06989	0.4
57.71257	0.3
58.42219	0.3
60.04396	0.4
60.05563	0.6
65.03852	0.4
67.05415	1.3
69.03347	7.0
69.06998	0.4
69.99362	0.3
70.06512	0.3
71.04922	0.3
77.03703	0.3
79.05412	0.8
80.57017	0.3
81.03358	0.6
81.06978	0.8
83.04900	9.9
85.02827	5.2
86.09616	1.6
91.05405	8.4
91.40924	0.3
93.06972	0.5
95.08534	0.4
103.05357	0.5
104.06182	0.5
105.06969	1.9
107.08536	22.8
108.08853	0.5
109.06451	0.6
109.10171	0.4
111.04410	7.3
113.05993	0.4
117.06966	1.5
119.08537	100.0
120.08862	2.6
124.99946	0.6
129.05434	0.8
133.06467	1.9
135.08020	12.4
145.10126	0.5
154.10149	0.3
167.86223	0.4
168.10295	0.3
171.11623	0.6
173.09587	0.4
184.07312	1.9
185.38817	0.4
199.11232	0.3
209.72964	0.4
261.11157	0.8
263.12738	6.3
397.19931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07004	3.0
67.05424	2.2
67.73363	1.8
69.07003	2.2
70.75201	1.9
81.06938	3.0
84.01534	1.8
86.09607	9.2
86.61031	2.0
90.59991	1.8
91.05396	8.9
93.06947	2.7
95.08496	2.6
101.16486	2.0
105.06968	4.5
107.08564	2.7
114.37650	2.3
119.04912	6.9
119.08524	20.0
121.06463	59.0
121.10045	7.7
124.99969	2.9
131.08501	2.1
133.06450	2.3
133.10068	9.5
135.08000	12.1
137.09581	16.3
147.08046	3.1
147.11633	7.3
149.09634	2.5
149.13225	8.4
159.08008	8.0
160.08698	2.5
161.09608	3.3
168.58728	1.8
175.11195	23.6
177.09093	55.6
177.12704	100.0
177.14272	3.4
184.07347	4.4
191.79358	2.2
227.10602	25.5
233.15338	61.7
267.13760	2.6
267.31360	2.0
283.16763	8.7
285.14877	13.2
415.28738	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	415.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02307	0.2
53.03642	0.2
53.03884	4.8
53.20667	0.1
55.01822	0.2
63.11032	0.2
67.01791	0.4
69.03348	5.0
70.87136	0.2
71.04906	1.2
81.03334	29.8
85.02830	1.0
92.10957	0.4
94.63889	0.2
97.02818	12.3
99.04377	2.4
103.03839	0.3
109.02824	65.0
110.03152	0.7
119.08587	0.2
127.03870	100.0
128.04205	0.8
129.99071	0.2
135.19550	0.2
139.03886	2.5
160.52197	0.2
164.11249	0.2
169.04910	4.2
174.20490	0.2
187.06039	0.6
229.07028	2.2
363.80429	0.2
414.90509	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	415.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	5.0
54.86290	0.6
56.25874	0.6
56.29232	0.6
57.61132	0.6
59.88470	0.6
63.02293	0.6
69.03344	5.6
81.03334	29.0
93.45364	0.7
95.98259	0.6
97.02813	10.3
97.06422	0.8
99.04372	1.4
105.06897	0.7
109.02826	64.2
123.04389	0.8
127.03871	100.0
139.03841	4.0
144.27318	0.8
167.56598	0.6
169.04915	3.2
172.68806	0.6
193.08418	0.7
207.86722	0.7
229.07014	1.2
250.29065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02862	1.6
86.09635	18.7
91.05413	0.8
92.10304	1.2
99.05492	1.0
105.03291	0.8
109.02873	0.8
115.05392	3.7
124.29737	0.7
130.06496	100.0
142.06519	11.8
144.08089	5.1
145.06096	0.8
156.08084	1.6
157.07602	3.6
158.05840	0.8
158.08334	2.7
159.09167	1.2
160.07567	3.0
167.05945	1.6
168.07991	4.6
169.07643	0.9
170.05974	25.6
180.52074	0.7
183.10420	1.2
185.07069	89.9
185.10672	3.4
185.16815	0.7
195.09138	1.5
198.12764	26.9
240.13383	1.4
256.10751	63.6
276.65704	0.7
284.10297	12.5
301.15491	1.2
369.19125	10.5
397.18454	0.9
415.19324	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	415.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13700	0.2
51.85220	0.2
53.03873	0.2
55.05434	0.3
57.03372	0.8
60.44783	0.2
61.02852	0.3
61.03151	0.2
69.03348	3.3
70.35020	0.2
71.04902	0.5
79.05409	1.1
81.03336	0.2
81.52286	0.2
83.04900	1.5
85.02831	1.4
89.41644	0.2
89.45908	0.2
91.05405	9.1
92.63642	0.2
93.06974	0.4
101.33770	0.2
103.03835	0.3
103.05405	1.1
104.06194	0.8
105.06969	1.2
107.04272	0.2
107.04884	1.8
107.08538	10.1
109.06477	0.5
109.76128	0.2
111.04421	0.2
111.09661	0.2
117.06982	2.5
119.08535	100.0
119.32422	0.2
120.08887	1.6
132.64278	0.2
133.06451	2.0
135.08014	5.0
149.05977	1.0
161.00281	0.2
163.11159	0.4
219.17520	0.3
267.12271	0.5
268.12552	0.5
285.13437	0.3
330.41498	0.2
341.19678	0.4
348.42493	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	415.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17366	0.2
53.03880	0.3
54.81595	0.3
55.05458	0.4
57.03368	0.4
57.06322	0.2
69.03344	2.2
75.81645	0.2
79.05420	0.5
81.03310	0.4
83.04884	1.0
85.02810	1.0
91.04839	0.4
91.05401	8.2
92.10902	1.2
93.06977	0.6
99.04428	0.2
103.05394	0.5
104.06178	0.9
105.06968	1.1
107.08542	8.5
109.02774	0.3
109.06530	0.3
111.04406	0.4
115.05402	0.2
117.06940	2.4
118.90039	0.2
119.08537	100.0
120.08865	1.8
129.05453	0.3
133.06453	1.0
135.08018	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	415.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97805	0.1
60.51534	0.1
67.05396	0.2
70.79684	0.1
74.91931	0.1
78.93636	0.1
104.88010	0.1
109.02834	0.3
127.03898	0.2
131.26726	0.1
131.56718	0.1
153.75583	0.2
169.81815	0.1
180.53622	0.2
181.04962	0.2
415.29245	100.0
416.29568	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	416.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	0.2
67.05415	1.0
75.43211	0.2
87.24207	0.2
89.91879	0.2
94.06488	5.1
106.06488	2.2
122.05973	6.0
150.05475	100.0
151.05823	1.8
168.06519	20.7
169.06813	0.3
217.39693	0.2
233.00443	0.2
250.26233	0.2
376.48520	0.2
393.77866	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	416.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71287	0.5
58.99800	0.9
59.85396	0.6
61.20063	0.6
69.03359	0.9
69.06977	3.7
70.06514	4.9
72.08052	3.7
77.00813	1.2
84.08064	4.0
85.02823	3.3
86.09631	76.5
95.01891	0.7
97.02834	0.9
97.06464	0.8
112.08652	1.0
112.11202	1.5
119.09122	0.6
127.03828	0.9
130.03445	1.4
132.10143	2.8
142.07132	3.3
144.08673	4.3
146.16483	1.5
160.08179	18.9
162.09744	16.4
172.08154	43.8
173.06578	3.0
173.08318	1.1
174.09715	3.5
184.24091	0.8
190.09201	14.2
191.07660	8.0
198.55081	0.7
207.11830	2.8
208.10309	7.5
227.16246	1.0
239.16017	5.6
240.14415	3.1
242.15985	1.2
249.14384	0.9
257.17050	6.5
258.15436	4.7
267.15427	3.1
268.13876	1.4
269.12219	1.1
273.16541	4.1
275.18097	17.8
276.18289	0.8
285.16504	32.6
286.14722	5.2
298.21933	0.7
303.17599	100.0
304.17792	7.2
321.18652	19.7
326.19235	1.4
380.97629	0.8
416.25717	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	416.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28247	0.4
51.06131	0.4
55.05441	0.9
57.06999	0.8
57.67931	0.4
58.48188	0.4
66.49700	0.5
67.05412	2.8
69.03348	0.6
69.06977	0.6
79.05418	0.8
81.06998	0.9
93.06978	0.8
94.81656	0.5
95.08547	6.6
97.10086	0.5
105.07001	0.9
107.04871	4.1
111.04379	1.2
121.06425	0.6
122.07236	7.6
123.08019	13.7
135.08006	3.0
137.05937	1.2
138.06781	0.7
145.10068	0.7
149.56966	0.5
150.06746	14.2
151.07521	100.0
152.08269	6.0
155.10420	0.5
159.97745	0.6
163.07539	1.2
163.11166	0.9
164.08293	2.3
173.09625	1.2
176.08293	1.0
177.09071	2.2
191.10652	11.8
210.42557	0.5
210.56718	0.5
268.46689	0.6
354.09433	0.6
394.43106	0.5
416.36411	43.7
417.36719	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76282	0.3
52.59197	0.4
53.03678	0.3
53.03892	6.9
55.01814	7.9
55.05441	0.4
57.03123	0.5
57.03378	6.7
61.02857	6.3
66.91646	0.4
67.01791	0.6
67.05423	0.6
68.67937	0.3
68.99709	3.7
69.03352	19.9
69.44578	0.3
70.06503	3.9
71.04620	0.3
71.04920	5.2
71.43999	0.3
73.02829	8.3
75.04404	0.5
81.03342	25.1
83.01260	0.6
83.04881	0.9
84.04427	0.7
84.08069	0.7
84.47050	0.3
85.02833	51.7
86.09624	2.7
87.00759	27.3
87.01241	0.5
87.04388	1.0
91.03857	2.4
91.05400	3.1
95.04893	1.9
96.74252	0.4
97.02827	28.1
99.04388	8.7
105.01163	0.5
105.01819	9.7
109.02839	16.4
110.07131	1.7
117.01810	4.9
121.02824	0.6
123.04389	12.7
127.03880	25.5
129.01787	2.9
129.05412	0.5
130.06537	0.7
133.06522	0.4
145.04944	9.2
147.02896	0.5
147.04373	2.0
151.03891	26.6
159.02861	9.9
163.03793	0.6
165.05472	1.6
169.04932	100.0
170.05293	2.4
175.03793	0.8
181.04906	1.8
189.05476	0.7
193.04918	9.4
207.06483	0.9
211.05974	6.0
217.04907	0.6
231.04836	1.0
235.05937	4.5
255.06483	3.7
259.05991	2.0
277.07031	3.2
352.99561	0.4
369.93146	0.5
379.19672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1173
Annotation	Daidzin
Peak:m/z	Relative Intensity
54.81513	0.7
55.01812	1.2
62.07698	0.5
69.03335	1.5
69.06989	0.6
70.02903	0.6
70.06506	15.2
72.08071	1.2
79.05420	1.0
81.03304	2.4
84.04437	3.0
84.08061	2.8
85.02825	5.5
86.09637	5.8
86.32816	0.6
87.00742	1.3
91.05399	4.1
97.02828	3.1
103.03897	0.7
105.03296	0.6
105.06981	0.8
107.04899	3.8
109.02853	1.3
110.07121	2.4
116.07040	3.5
119.04892	2.9
121.02828	3.1
127.03875	1.3
129.06970	0.6
130.06505	3.3
131.04869	1.0
131.08643	0.9
135.04411	1.2
140.04759	1.1
145.02855	2.7
147.04395	4.2
149.02324	0.8
151.03893	1.0
155.08479	1.0
157.06473	0.9
159.09140	1.5
165.06937	1.1
167.03415	0.8
167.08534	1.2
167.73264	0.6
170.05937	1.2
172.98918	0.7
177.07036	0.9
179.03366	2.5
181.04990	1.0
181.06424	0.9
191.10524	0.8
194.07294	0.8
195.04353	1.2
195.07916	4.8
197.06041	0.9
211.07445	0.7
219.08000	0.9
219.42992	0.7
221.06010	0.7
223.07608	4.7
226.06172	0.8
237.09209	0.6
239.06952	19.7
240.07741	15.5
241.08540	3.6
247.07399	0.7
251.07065	1.5
251.10674	1.1
252.07619	0.7
253.08598	0.7
255.06482	2.8
256.73907	0.7
263.07037	2.3
264.07803	0.7
267.06454	94.3
268.07224	58.0
269.07758	4.7
279.06454	14.1
279.09766	0.9
281.08017	19.4
282.08597	0.7
289.08566	0.9
292.07263	3.8
293.07974	3.0
295.05899	3.2
297.07520	100.0
298.07889	3.6
307.06015	2.7
307.09521	26.5
309.07535	5.4
311.09167	1.1
321.07516	23.2
321.11270	1.0
327.08539	3.1
333.07523	1.4
335.09186	8.3
339.08481	0.8
351.08624	14.2
363.08511	12.9
381.09586	18.2
382.10062	0.7
399.10602	19.9
417.11710	53.0
417.16797	2.2
418.11899	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1176
Annotation	Daidzin
Peak:m/z	Relative Intensity
50.68647	0.1
55.01808	0.3
56.55591	0.1
65.03852	0.1
68.99710	0.1
74.89471	0.1
81.03308	0.3
91.05397	1.5
105.03313	0.1
115.05420	0.1
119.04887	0.8
121.02793	0.4
128.06181	0.4
129.06978	0.9
131.08566	0.1
133.02794	0.6
134.03583	0.1
137.02309	7.3
138.02658	0.1
141.06914	0.1
143.08519	0.5
145.02827	1.3
149.02306	0.7
152.06126	0.3
153.06963	1.2
157.06474	1.2
165.06917	0.3
169.06403	0.1
171.07999	1.2
181.06427	2.8
182.07030	0.1
184.05133	0.3
185.05928	0.4
197.05922	0.3
198.06691	0.1
199.07497	12.3
200.07892	0.4
209.05933	0.4
210.06685	0.2
211.07477	0.3
212.04739	0.1
213.05304	0.1
226.06142	0.1
227.06973	5.5
228.07317	0.1
237.05386	2.1
255.06454	100.0
256.04065	0.1
256.06790	3.8
417.11813	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	417.1172
Annotation	Daidzin
Peak:m/z	Relative Intensity
50.11478	0.1
51.34922	0.1
53.03878	0.3
53.90138	0.1
55.01805	0.7
55.05446	0.1
56.04959	0.1
57.03374	1.2
61.02616	0.1
61.02860	1.9
65.03847	0.2
68.99709	0.2
69.03351	5.4
70.06507	1.5
71.01276	0.1
71.04911	0.3
71.06796	0.1
73.02827	1.0
81.03341	1.8
84.04414	0.3
85.02828	9.1
86.09631	0.6
87.04385	0.8
91.05392	1.7
92.10898	0.3
97.02814	2.5
99.04377	0.3
103.05420	0.1
105.03322	0.2
109.02819	1.0
110.07107	1.9
115.05409	0.1
117.19975	0.1
119.04885	0.6
120.08061	3.1
121.02813	0.6
121.08405	0.2
127.03889	1.5
128.06161	0.5
129.06940	0.9
131.04927	0.1
131.08539	0.2
133.02837	0.8
134.03607	0.1
137.02327	7.3
141.07007	0.2
143.08565	0.3
145.02802	1.2
145.04810	0.2
145.10057	0.2
149.02325	0.5
152.06128	0.2
153.06992	1.7
157.06473	1.4
165.06947	0.2
169.04991	0.2
169.06462	0.2
171.08072	1.0
177.05641	0.1
177.10202	0.5
181.04912	0.2
181.06407	2.3
183.08017	0.3
184.05150	0.3
185.05930	0.2
197.05881	0.3
199.07524	11.8
209.05750	0.4
210.06752	0.2
220.03326	0.2
223.07393	0.2
227.06987	5.2
228.07382	0.2
237.05441	4.1
239.06946	0.8
251.06909	0.2
253.04877	0.3
255.06471	100.0
256.06808	2.1
279.06421	1.3
293.08243	0.1
297.07599	3.0
299.71906	0.1
354.16013	0.2
373.18048	0.6
417.11542	7.3
417.17206	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2118
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.63148	1.5
53.00238	1.5
53.03884	4.3
55.01805	2.8
55.05235	1.3
55.05456	18.9
57.03371	6.6
57.07005	12.5
61.02856	13.8
65.41933	1.7
67.05418	10.9
69.03017	2.4
69.03356	65.6
69.06991	14.4
71.04906	9.3
73.02818	3.4
79.04964	2.5
79.05413	68.4
81.03342	35.2
81.06989	14.0
83.04906	28.3
83.08531	3.4
85.02831	95.6
91.05412	15.8
93.06973	75.5
95.04865	3.5
95.08518	7.6
97.02814	19.5
97.06467	14.5
99.04383	13.5
100.11188	16.0
105.06950	11.3
107.04893	7.7
107.08537	27.4
109.02831	35.0
109.06452	3.8
111.04434	3.2
114.09129	3.2
114.59992	1.6
116.35622	1.8
117.06923	4.1
119.08475	2.4
121.06461	4.0
121.10065	3.9
123.08041	2.8
125.05969	27.5
127.03873	59.3
129.06946	2.8
131.08546	7.9
131.64435	2.1
133.10085	17.9
135.08037	7.4
135.11659	100.0
137.02399	2.3
139.07521	11.1
143.08582	2.9
145.04932	4.4
145.10101	2.5
147.11639	9.4
149.13245	10.0
153.09068	2.2
153.12689	8.3
153.69165	2.1
157.10071	2.9
159.11671	3.2
177.12715	14.6
182.15350	4.6
187.05962	24.6
189.12677	2.3
195.13774	37.9
205.07120	20.2
211.39923	1.7
217.12306	3.8
235.13333	6.4
255.06471	32.5
256.07312	2.2
381.19046	14.6
417.33807	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	417.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	1.2
55.05448	16.7
57.03373	10.2
57.07006	8.0
65.03840	1.3
67.05425	76.5
69.06986	16.7
71.08540	1.7
75.55562	1.1
79.05020	1.4
79.05417	21.2
81.06970	77.7
83.04876	1.3
83.08531	12.3
86.09622	1.6
91.05391	16.4
93.06970	18.9
95.04893	1.7
95.08530	60.5
97.06469	2.9
97.10090	2.7
98.98396	100.0
99.08009	1.4
105.06968	7.6
107.05517	1.2
107.08543	9.6
109.10104	27.0
111.08009	2.0
116.99435	6.6
119.08532	11.4
120.08832	1.1
121.10103	10.1
123.08038	1.5
123.11675	8.8
124.99970	1.7
133.10104	9.8
135.11649	5.6
137.13243	2.1
147.11656	2.7
149.13258	2.3
151.14766	1.6
155.01007	72.0
161.13208	1.7
163.14751	2.0
165.16243	1.2
175.14709	1.9
184.07262	2.5
188.99181	1.2
189.16414	1.6
207.16653	1.2
245.22580	14.0
255.06540	4.8
263.23605	27.2
327.85660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	2.1
54.19003	1.3
54.81635	2.1
55.01791	2.7
55.05451	13.6
57.03371	1.8
57.06992	1.8
62.27375	1.5
67.05427	28.5
69.03349	13.4
69.06978	10.4
74.07943	1.5
75.96637	1.7
79.05410	16.6
81.06973	17.9
83.04875	2.5
83.08538	3.7
85.06462	3.4
91.04906	2.6
91.05411	33.1
93.06971	100.0
95.04887	12.3
95.08536	54.8
97.02807	19.5
97.06459	3.7
99.04382	1.8
103.05388	2.1
105.04446	1.8
105.06989	27.1
107.08537	65.0
109.06458	12.6
109.10105	18.7
111.08039	17.3
117.06953	8.0
119.04919	27.2
119.08534	58.3
120.08820	13.0
121.06469	33.3
121.10088	30.9
121.71634	1.7
123.08019	14.4
123.11656	6.8
125.09529	2.6
131.08511	10.6
133.06430	2.8
133.10097	23.0
134.99336	1.7
135.08005	9.7
135.11638	26.8
137.09570	3.5
139.07510	7.8
143.08533	4.2
145.10083	15.4
147.08011	3.1
147.11655	12.7
149.05968	7.5
149.09587	3.4
157.08621	2.4
157.10135	8.4
159.08017	2.7
159.11728	13.4
161.09622	4.2
161.13211	8.1
163.11105	8.8
171.11617	9.2
173.09569	2.6
173.13272	4.3
175.11131	2.5
175.14754	2.4
177.12842	2.3
177.16351	3.5
183.11592	2.1
185.13240	2.4
187.14694	3.4
189.16318	3.9
197.13260	2.4
199.14714	2.2
203.17892	2.0
259.16876	1.8
261.14883	2.4
340.82825	1.8
371.25864	2.8
399.25308	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87618	0.6
53.03884	0.8
55.01806	1.0
55.05448	0.7
57.03370	1.3
61.02865	0.9
64.49828	0.5
65.03857	2.6
65.38136	0.5
67.05437	5.0
69.03343	7.8
70.06503	2.8
73.02824	1.2
75.91236	0.5
76.03886	0.6
77.05119	0.5
79.05402	3.8
81.03333	5.5
81.06969	0.8
84.04412	1.1
84.08056	0.8
85.02832	7.0
86.09622	1.0
87.00726	3.0
92.04958	3.9
93.05695	0.8
95.04904	1.0
96.08041	3.3
97.02827	4.5
99.04386	1.0
106.06492	31.2
108.08058	100.0
109.02800	4.2
109.08439	1.1
110.07095	1.3
117.01824	0.7
123.06761	8.7
124.07552	30.6
127.03895	5.7
134.05971	14.8
136.07545	14.4
145.04944	1.0
148.07532	0.9
150.05461	2.7
151.05850	1.0
152.07043	77.7
153.04044	0.7
153.07401	0.9
164.07039	0.7
170.08086	11.2
173.02896	0.7
181.43921	0.6
187.05959	0.8
194.08138	0.9
243.16833	0.7
314.12308	0.9
332.13388	3.1
356.13403	3.8
374.14456	7.5
400.12262	7.1
418.13330	32.8
419.13657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05231	2.4
55.05449	45.0
64.17958	2.6
64.51665	2.4
65.03865	2.8
65.21308	2.9
67.05430	34.4
67.61684	3.1
69.06966	13.7
71.04885	2.6
76.02125	13.4
79.05399	21.5
81.06513	3.5
81.06972	74.6
83.04883	2.9
83.08541	20.5
85.06451	3.6
91.05385	21.2
92.75914	2.9
93.06973	24.5
95.08527	100.0
97.06453	16.3
97.10094	5.8
99.04359	2.6
105.00017	6.0
105.06960	21.2
107.08551	5.8
109.06507	4.7
109.10086	16.2
113.00751	2.6
119.08501	34.5
121.10091	5.9
122.02682	47.7
123.08009	5.5
133.10101	26.7
135.11633	18.7
137.09567	3.9
137.13220	16.4
147.57077	2.9
161.13231	59.2
169.88907	3.2
179.14278	37.1
180.60280	3.2
197.15221	10.7
228.29410	2.9
279.22995	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	418.306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81380	0.3
55.05441	0.9
56.04975	0.5
67.05428	2.8
69.07007	0.4
77.35386	0.4
79.05396	0.5
81.06989	0.9
82.05241	0.5
83.06025	6.7
91.05423	0.7
92.10228	0.6
93.04448	4.9
93.06979	0.7
95.06010	4.4
95.08518	1.6
97.06451	0.4
107.08524	0.5
109.10093	0.5
110.07113	100.0
111.05513	0.4
111.07454	0.5
119.08534	4.7
119.73594	0.4
120.08868	2.5
121.09262	0.5
121.10098	0.7
122.09557	0.4
139.93639	0.5
156.07657	24.1
184.07379	0.8
256.06714	0.4
270.47519	0.4
317.19247	0.4
372.30252	1.6
400.29260	0.7
418.30545	14.5
419.30835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	0.9
56.79637	0.4
56.96480	0.4
57.07009	11.5
58.06533	4.3
64.35456	0.4
67.05441	0.5
68.39059	0.6
69.13017	0.4
70.06511	35.6
71.08541	4.7
72.08068	3.9
74.10661	0.5
84.08068	2.9
85.10110	2.6
86.09636	5.8
88.07561	10.7
89.05949	0.8
92.26634	0.6
102.09133	4.4
111.34729	0.5
114.09101	0.9
132.10175	11.7
146.11737	13.5
146.12740	0.5
168.61549	0.5
178.37509	0.5
184.07260	1.3
194.13914	0.7
206.29160	0.7
268.29910	2.4
273.86395	0.6
291.15720	0.6
294.31467	2.4
312.32590	15.1
314.66962	0.5
356.35178	60.2
357.35492	2.8
408.89944	0.7
418.38821	100.0
419.27570	8.0
419.39236	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	419.1334
Annotation	Isoliquiritin
Peak:m/z	Relative Intensity
52.22716	0.4
53.03881	0.7
55.05457	0.9
57.03381	0.8
61.38070	0.5
65.03851	0.5
67.05428	1.1
68.99703	2.0
69.03351	2.1
69.07001	0.8
74.09650	0.4
78.73781	0.4
79.05402	1.9
81.03334	5.9
81.06965	1.0
81.69794	0.4
83.04878	0.5
85.02819	3.5
91.05411	5.1
93.06980	0.5
95.04896	4.0
95.08578	0.6
97.02822	0.5
99.08041	0.5
105.03333	12.5
105.06993	1.8
107.04895	2.3
107.08475	0.5
109.02824	1.1
109.06496	0.9
111.04393	1.9
111.84217	0.4
117.03354	4.1
117.07057	0.5
119.04905	13.4
119.05745	0.6
119.08533	0.9
121.06455	0.7
123.04366	3.8
127.03893	1.0
131.08530	0.7
135.04424	0.8
137.02318	100.0
138.02675	0.9
139.03862	0.5
147.04393	40.8
151.03908	1.6
151.07549	1.8
155.03362	1.7
155.08556	0.4
163.03905	2.2
165.06976	0.9
173.05917	0.7
183.08008	0.7
187.07443	0.5
197.06120	0.7
211.07478	5.7
223.05980	2.4
235.90192	0.4
239.07030	5.9
242.02953	0.4
242.05684	2.8
257.08044	91.4
258.08463	1.9
258.36038	0.5
291.19937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1336
Annotation	Isoliquiritin
Peak:m/z	Relative Intensity
55.05455	0.6
56.96515	0.7
57.03370	1.0
64.33130	0.8
67.05416	1.3
68.99718	0.8
69.03342	1.4
69.06983	1.0
71.04899	0.7
71.75504	0.7
71.89067	0.7
79.05399	0.9
81.03327	6.2
81.06971	2.8
83.04897	0.9
85.02825	0.9
91.05415	4.8
93.06968	1.3
95.04880	2.5
95.08514	1.1
97.73316	0.6
105.03332	4.1
105.06967	1.6
107.04897	1.2
107.08551	1.0
109.02811	0.7
111.04391	1.1
117.03335	4.7
119.04896	14.3
119.08475	0.8
123.04367	4.7
127.03883	0.8
130.04965	1.4
135.04330	0.8
137.02309	100.0
138.02632	1.0
145.10197	0.8
147.04382	40.8
155.03354	0.8
160.51944	0.8
163.03888	1.3
165.06905	0.9
183.08047	1.0
189.96875	0.7
206.15175	0.7
211.07542	6.7
239.06996	6.0
242.05603	1.7
257.08017	95.3
258.08414	1.5
315.08200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1339
Annotation	Naringenin 4'-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
54.81720	1.4
55.01808	2.0
55.05443	2.7
56.96502	2.5
57.03376	28.4
59.64646	1.0
65.03857	1.7
67.05405	1.9
68.99715	1.3
69.03344	10.1
70.06496	5.4
71.04912	2.0
72.24268	1.0
73.02835	16.4
75.04396	100.0
76.02140	1.5
79.05392	2.4
81.03322	6.1
81.06975	1.7
83.40655	1.1
84.08064	5.2
85.02844	14.3
86.09599	2.6
91.05390	5.4
93.06970	5.6
95.04893	5.7
97.02792	2.1
100.11192	1.6
104.69666	1.3
105.06977	5.1
107.04895	7.6
107.08445	2.3
108.07632	1.3
109.02832	1.7
109.10101	2.1
111.04392	2.5
114.37135	1.2
119.04895	16.6
119.08554	2.6
120.07994	1.7
121.06428	2.4
123.04366	2.8
127.03906	1.6
129.10178	1.6
133.94989	1.4
135.04355	4.8
137.01360	2.1
137.02327	44.6
137.92989	1.5
147.04393	55.1
151.03877	9.3
153.01804	70.6
154.67447	1.2
155.46953	1.2
158.06046	1.4
161.05917	2.7
161.09595	2.3
163.03857	2.0
163.11169	1.5
165.01839	2.6
167.07045	1.4
171.02878	2.9
176.03572	1.4
177.01819	1.5
179.03304	1.6
183.02835	4.6
186.05441	6.1
191.03394	4.3
193.06532	1.5
195.02852	10.5
202.05441	1.2
203.03291	1.9
218.08061	9.4
219.02850	10.6
224.19514	1.1
239.06677	1.7
245.04311	6.7
257.08057	37.4
263.05386	5.0
273.07532	74.6
274.07858	1.4
318.15604	1.4
339.08545	2.8
383.10999	2.1
419.18219	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	419.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81441	0.3
59.29482	0.4
60.04455	40.4
69.06980	7.5
70.02856	0.6
74.84605	0.4
82.41047	0.4
86.09626	100.0
87.05517	9.3
87.09980	0.7
92.10254	1.9
94.20761	0.4
98.21750	0.4
100.11233	0.5
102.81834	0.3
105.06537	3.5
110.09634	0.7
112.11172	0.4
119.46425	0.5
128.10674	14.1
132.10170	14.4
155.11874	0.6
173.12817	63.6
174.13176	0.6
201.12334	12.9
207.08005	0.5
219.13361	25.0
250.76311	0.4
270.14374	0.5
282.12814	0.4
288.15533	4.4
401.23962	1.9
419.25775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.5
54.03416	0.5
55.01822	0.4
55.14293	0.3
58.15178	0.3
69.03351	4.4
69.06981	1.8
70.06531	0.5
71.04916	0.4
73.02814	0.5
79.05412	0.6
81.03343	4.1
84.04448	0.5
84.08067	1.4
85.02827	6.8
94.06487	0.6
96.08064	33.1
97.02841	2.8
97.03361	0.3
97.08888	0.5
98.09606	0.4
99.04392	6.1
103.03885	5.0
109.02827	3.0
113.03465	0.5
114.09129	100.0
115.09461	0.7
127.03886	6.6
136.06194	0.6
137.05884	0.3
145.04965	1.3
180.52731	0.3
197.49269	0.4
199.88231	0.3
258.09598	0.4
268.10553	0.3
323.57932	0.3
420.18591	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	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.8
55.01810	9.2
57.03101	0.7
57.03371	18.1
59.04922	1.2
61.02565	0.7
61.02854	16.4
65.03886	0.6
67.05453	0.7
69.03345	28.8
70.06509	5.3
71.01265	5.5
71.04889	1.1
72.08052	1.0
73.02826	86.1
79.05368	1.0
81.03344	5.0
84.04412	4.3
84.08047	1.2
85.02824	62.1
87.04395	5.4
91.03860	2.3
91.05402	100.0
92.05731	1.1
92.10298	0.8
93.07025	0.6
95.04958	0.5
97.02818	48.9
99.04373	3.8
102.05518	0.7
103.03868	3.0
104.84589	0.7
105.06947	5.8
109.02833	5.0
109.10101	0.7
110.07091	1.3
115.03874	19.1
116.07016	0.8
117.06945	3.2
118.08585	1.0
119.04903	0.8
123.04394	0.7
127.03862	16.8
129.07010	4.5
131.08516	4.1
133.04912	14.4
133.06465	2.3
137.09584	0.8
139.03877	0.6
145.04935	14.4
145.06409	3.3
147.04332	2.3
149.09512	0.9
150.07559	1.2
151.03857	3.0
152.04190	1.3
157.06403	1.2
158.02682	0.9
159.07951	0.6
161.04430	1.4
163.06001	5.0
175.07549	0.6
176.03510	0.6
193.04845	0.8
195.32698	0.6
199.05888	0.9
199.07607	0.8
203.03928	0.8
205.08592	1.1
209.11647	1.4
217.08647	1.2
223.06007	3.0
235.09546	0.7
241.07018	3.4
253.10638	2.4
259.08066	5.9
273.12476	1.1
277.09012	1.2
283.08441	1.0
295.10126	2.4
409.42200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47700	0.2
53.03882	0.7
55.01798	0.3
55.05452	0.4
56.04968	0.4
56.96498	1.4
57.05836	0.3
60.04451	0.3
60.72548	0.3
65.03883	0.3
68.04942	0.4
69.03072	0.3
69.03355	4.6
69.06973	2.2
70.06508	0.7
71.04906	1.2
71.07082	0.3
75.39318	0.3
79.05392	1.2
81.03339	5.1
84.08068	6.3
85.02826	7.8
86.09624	8.7
87.04431	0.4
87.09963	1.2
89.83676	0.3
91.05405	3.6
91.59450	0.3
94.06525	0.5
95.04923	0.4
96.08055	32.5
97.02829	4.1
97.08865	1.4
98.09619	0.4
99.04382	5.6
103.03883	4.7
105.07027	0.3
109.02847	3.8
114.09121	100.0
115.09462	1.4
119.04888	5.0
127.03882	16.6
129.10199	6.7
130.06482	0.4
145.04994	1.5
146.99612	0.3
147.03227	0.5
147.04384	12.7
148.04695	0.6
151.03885	0.8
161.05954	0.4
164.02246	0.5
166.18639	0.4
182.03235	0.5
195.87672	0.3
216.13383	0.6
276.07523	0.7
277.07040	0.4
321.09903	1.1
339.11026	3.5
420.18573	18.3
421.18777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	2.0
53.03891	12.1
55.01807	16.1
55.05445	10.1
57.03374	10.4
57.07008	9.7
59.04918	1.2
61.02851	9.6
63.47995	0.9
66.94917	1.2
67.05421	8.7
68.99700	4.6
69.03345	43.3
69.06989	29.5
71.04892	8.1
71.43039	1.1
73.02821	11.6
79.05408	8.4
81.03333	52.5
81.06514	2.7
81.06973	57.3
83.08524	11.2
85.02823	100.0
87.00745	43.7
87.04395	1.2
91.03858	4.5
91.05400	10.4
93.06965	21.5
95.04875	5.6
95.08527	30.9
97.02812	47.4
97.06435	1.7
99.04379	20.0
100.11183	1.7
101.02351	1.2
101.47759	1.4
103.03871	1.8
105.01797	27.5
105.03277	1.4
105.06959	12.1
107.04900	1.9
107.08522	16.1
108.04433	2.5
109.02824	50.5
109.06434	2.4
109.10100	5.2
111.04388	1.8
115.03880	8.6
117.01765	4.9
117.06968	1.3
119.08510	12.9
121.06434	1.7
121.10062	11.0
123.04392	5.3
123.08004	2.6
123.11650	6.7
127.02928	2.3
127.03864	58.1
129.01810	7.0
129.06956	2.2
129.76985	1.4
131.08504	6.6
133.10066	6.1
135.11636	7.1
137.13229	19.2
139.03868	1.5
143.08548	2.5
145.04944	22.1
145.10149	1.5
147.02879	1.5
147.11652	7.0
149.13206	5.0
157.10106	5.8
159.02861	20.7
159.11684	2.0
161.13231	2.7
165.12741	2.0
171.11557	2.2
173.13127	2.2
177.12631	1.4
185.13248	1.9
215.14331	1.4
221.15247	1.8
227.14333	2.1
231.04945	11.6
245.15292	5.0
248.07477	1.6
249.05898	1.9
259.67215	1.1
263.16370	2.1
268.50308	1.6
313.03049	1.2
367.17334	1.5
419.30753	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	4.1
53.42762	1.7
54.81448	2.0
55.01796	3.3
55.05452	30.3
57.03372	24.7
57.06998	2.9
59.04927	3.2
60.71515	1.7
65.03855	2.9
67.05077	3.5
67.05427	98.2
69.03343	7.8
69.06991	30.8
70.65513	1.8
71.04890	7.8
79.05402	49.8
79.55168	1.9
79.95725	1.7
81.03324	12.6
81.06975	100.0
83.04888	8.9
83.08540	23.8
85.02823	10.2
85.06467	9.6
85.67458	1.7
86.09630	2.9
86.59059	1.7
91.05399	49.7
91.59751	1.8
93.06976	58.1
95.04888	11.0
95.08530	41.3
97.02828	3.3
97.06447	10.7
97.07010	1.9
97.10107	9.3
99.04373	3.9
99.08047	2.3
105.06971	41.7
107.04913	7.1
107.08536	44.4
109.02844	18.8
109.06456	14.8
109.10104	46.8
111.08049	4.6
117.06942	18.6
119.08538	27.1
121.06483	3.5
121.10110	21.4
123.08035	4.5
123.11753	2.7
125.02432	1.9
127.03862	8.1
128.50156	1.9
129.06947	4.2
131.08524	24.5
133.10094	27.5
135.07951	4.2
135.11655	10.5
137.09604	2.4
143.08467	2.2
145.10089	13.9
147.08049	2.8
147.11659	14.1
149.09590	10.5
149.13257	18.4
157.10062	3.0
159.11644	19.2
161.13167	8.8
171.11858	2.1
173.11751	19.7
173.13069	3.0
175.11070	2.0
177.12679	17.7
179.14299	9.1
184.07341	4.4
195.13791	12.1
229.14282	32.1
251.16333	2.6
257.18979	3.2
269.17413	51.8
275.19971	27.4
309.20364	9.0
346.57095	2.5
346.90085	2.6
349.23611	21.4
367.24609	14.7
421.14441	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	421.1338
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03889	6.8
55.01799	2.4
55.05443	0.7
57.03368	2.3
59.72149	0.5
63.20317	0.4
67.05422	2.6
69.03345	13.0
69.06982	1.1
70.06527	0.6
71.04893	0.8
73.02813	1.2
79.05407	0.8
81.03336	40.8
81.06969	3.3
83.04887	0.8
85.02826	7.4
86.09599	0.7
91.05373	1.2
93.06960	0.8
95.04888	3.0
95.08534	2.5
97.02820	25.2
99.04373	4.0
105.07014	0.8
106.82269	0.5
107.04866	0.6
107.08541	0.8
109.02827	100.0
109.10134	0.7
110.03101	0.7
111.04391	0.8
115.03859	2.8
123.04379	2.5
125.02332	1.1
127.03870	18.9
127.04792	1.0
139.03882	3.3
145.04904	0.6
151.03906	2.2
159.19742	0.5
163.03865	0.6
169.04924	10.7
175.11102	0.5
179.96049	0.5
184.07379	0.6
187.05946	0.8
211.05928	5.0
223.05882	1.0
229.07056	2.6
271.08026	0.6
335.84119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1337
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.97031	0.3
53.03891	6.2
54.38737	0.3
55.01804	2.7
55.05455	0.6
57.03371	2.3
61.02851	0.5
65.03886	0.4
66.90102	0.4
67.01790	1.0
67.05431	3.0
69.03353	11.7
69.06985	0.9
71.01285	0.6
71.04902	0.8
72.71859	0.3
73.02830	2.8
79.05399	1.8
80.05739	0.4
81.03339	41.1
81.06964	2.5
82.03662	0.4
83.04896	0.7
85.02828	7.2
91.05381	2.2
92.10304	0.6
93.06991	1.9
95.04887	2.1
95.08535	1.6
97.02828	23.6
97.06446	0.7
99.04378	3.4
103.03857	0.5
105.06954	0.8
107.08533	1.8
109.02832	100.0
109.06438	0.6
109.10095	0.7
110.03172	0.7
111.04398	0.8
114.37045	0.5
115.03848	3.0
117.06979	0.5
119.08546	1.8
121.10085	0.6
123.04373	2.6
123.08110	0.5
125.02312	0.9
127.03880	18.1
131.08571	0.5
133.10094	0.6
139.03888	3.8
147.11676	0.5
151.03926	0.9
159.11676	0.5
169.04918	8.7
175.06032	0.6
187.05989	0.6
205.05057	0.7
211.05988	4.0
223.05949	0.4
229.07079	2.7
269.17502	0.9
322.50574	0.5
326.99936	0.5
440.65421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1337
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03876	0.7
55.01795	0.2
56.96522	0.2
57.03379	1.7
60.04466	0.3
61.02855	0.3
61.18372	0.1
67.05410	0.2
69.03350	4.3
70.06496	0.3
71.04926	0.3
72.77338	0.1
73.02827	0.2
81.03326	0.8
83.04891	0.3
84.04419	0.3
84.08070	6.1
85.02834	5.1
85.08396	0.9
86.09644	0.3
87.04406	1.5
89.41585	0.2
91.05402	1.1
97.02829	2.4
99.04395	0.3
101.10731	0.2
103.03828	0.2
105.03362	0.2
109.02840	0.9
115.03899	0.8
116.01630	0.1
116.98563	0.7
119.04892	2.0
119.08531	0.4
119.98244	0.2
126.05489	0.2
127.03878	100.0
128.04219	1.9
129.10205	7.1
130.10542	1.1
133.04945	0.4
145.04951	0.4
147.04404	3.3
147.08012	0.4
148.04727	0.8
155.07080	0.2
181.04922	0.4
188.07133	0.3
207.10129	0.7
215.32964	0.2
216.13495	0.9
289.09167	2.2
321.09958	0.3
339.11108	1.0
420.22412	0.4
421.12509	0.2
421.16827	2.1
421.22293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1339
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03885	9.2
55.01810	2.8
55.05441	2.1
56.04965	2.3
57.03365	8.9
59.04942	12.0
60.04459	1.2
61.02853	6.4
62.59478	1.2
62.78192	1.2
69.03350	33.2
69.06995	2.9
70.06507	32.1
71.04906	12.6
71.76068	1.2
72.08073	2.0
73.02819	9.1
74.05994	3.4
76.02111	1.6
79.05407	6.1
81.03340	38.2
81.06971	2.7
83.04916	1.9
84.04430	18.7
84.08064	12.6
85.02828	73.9
86.03156	1.3
86.05963	1.7
86.09621	2.6
87.03879	1.8
87.04396	39.0
88.03897	2.0
90.05463	2.1
91.05394	6.7
93.06969	1.9
95.04880	2.7
96.04431	1.3
97.02222	2.5
97.02821	53.4
98.00574	1.4
98.05995	1.7
99.04390	72.7
102.05479	2.5
103.03880	79.0
105.06929	2.9
107.04900	2.0
109.02834	32.4
109.06470	1.4
110.07106	7.2
115.03879	77.3
116.01630	8.2
116.07005	1.8
116.98587	1.5
118.06468	1.6
119.04925	1.3
119.08527	1.7
120.08022	2.9
126.05495	8.8
127.03873	100.0
128.04195	2.4
129.10228	2.6
130.06456	1.8
131.08493	2.7
133.10092	12.0
134.99628	2.8
136.07578	1.9
139.03917	2.0
144.06529	7.2
144.08037	2.2
145.04930	38.0
146.06071	11.8
147.08054	1.8
151.03897	2.0
151.11273	1.9
157.07597	1.7
158.02690	10.4
159.09154	11.7
163.06004	14.3
169.04897	1.7
170.05997	1.4
176.03717	1.9
177.00685	1.5
187.05933	7.6
188.07054	21.9
195.06360	2.2
205.07013	1.6
205.09671	5.4
228.13782	2.2
242.03194	1.6
271.08069	8.8
290.24380	1.8
307.10107	1.9
333.76639	1.5
335.01688	1.8
421.09189	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	421.1338
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03892	12.1
54.81480	1.2
55.05433	1.5
57.03365	2.5
58.31097	1.1
59.04929	11.8
61.02839	6.5
69.03349	21.1
70.06516	16.2
71.04895	7.5
73.02821	8.6
79.05388	1.5
81.03335	31.8
84.04407	6.9
85.02826	78.8
87.04392	42.3
88.03917	1.3
91.05412	2.0
97.02823	50.3
99.04382	57.1
101.02324	1.5
103.03876	76.1
109.02829	28.0
110.07138	2.1
115.03880	85.6
116.01571	1.6
127.03873	100.0
144.06476	2.4
145.04941	34.5
146.06039	2.4
163.05975	15.5
187.05893	5.0
188.07042	5.3
205.09616	1.8
271.08041	5.2
289.09192	2.2
345.06677	1.4
402.97949	1.5
421.15390	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	421.1491
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03877	0.5
55.01801	0.7
55.05437	0.2
56.96495	0.1
57.03355	0.4
60.48988	0.1
61.02858	0.2
65.03828	0.1
65.74784	0.1
67.05437	0.2
69.03341	0.3
69.06965	0.1
69.89293	0.1
70.06503	0.5
73.02805	0.4
76.02147	0.1
79.05404	1.0
81.03325	0.5
81.06953	0.1
83.01251	0.1
84.08059	0.2
85.02812	1.4
86.09637	0.2
87.48214	0.1
90.05470	0.2
91.05386	0.4
93.06954	0.2
95.04873	1.3
95.08518	0.2
97.02837	0.7
97.06441	0.1
98.97490	0.2
99.04372	0.2
103.03870	0.8
105.04431	0.1
105.06953	0.2
107.04890	100.0
108.05212	1.5
110.07105	0.2
111.04394	0.1
116.98586	0.1
119.04887	0.1
120.08055	0.2
121.06410	0.5
121.09991	0.1
127.03863	0.4
131.04890	1.1
133.10071	0.1
135.04362	0.8
147.04375	2.3
149.05977	0.4
151.03854	0.7
153.05473	0.2
158.02632	0.1
159.04382	0.1
161.06030	0.1
165.05428	5.3
165.06766	0.2
171.04381	0.4
173.05946	0.6
175.03879	0.2
177.03877	0.2
177.05432	5.1
178.05891	0.1
181.04893	0.4
189.05368	1.0
191.06989	1.1
193.06325	0.1
195.06480	4.7
201.05569	0.7
203.03629	0.1
203.07057	0.2
207.06467	0.1
213.05423	0.3
214.06213	0.4
215.07024	0.2
217.05019	0.1
219.06444	2.4
219.08385	0.1
229.04860	0.5
231.06471	1.8
243.06480	1.1
249.07675	0.1
253.08485	0.1
259.09613	0.5
261.07535	0.6
271.09537	1.9
279.08521	0.1
283.09570	0.9
295.09445	0.3
301.10641	7.5
302.11035	0.1
307.09528	0.1
325.10638	4.9
337.10605	3.0
349.10599	3.9
355.11710	1.2
367.11737	1.2
385.12515	0.8
403.14001	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	421.367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59584	6.5
53.62529	8.7
54.81610	7.9
55.05445	55.9
57.07015	81.4
67.05428	35.5
69.06995	86.2
71.08540	41.2
72.04424	33.9
79.05401	17.7
81.06964	93.8
83.08527	36.8
86.09632	76.2
93.06963	32.6
95.04890	12.8
95.08512	58.3
97.10108	16.1
100.70619	10.4
105.06978	18.2
107.08543	35.5
109.06480	82.4
109.10107	12.6
111.08041	18.7
116.07053	95.9
119.08517	28.9
121.06418	8.3
123.04351	17.4
123.08031	34.8
123.29258	7.9
133.10081	20.7
135.08026	11.6
137.05946	49.4
138.06770	14.0
139.07489	40.3
147.11667	9.4
151.07521	63.3
161.09550	10.8
161.13239	13.3
175.11150	9.4
179.10565	8.8
193.12222	19.5
207.13631	10.2
249.18575	9.1
263.20145	17.6
277.21463	14.0
385.34479	15.8
403.35443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33710	0.4
53.03891	0.6
55.01812	8.8
55.05452	28.5
56.04961	1.8
56.96505	3.7
58.99512	6.7
67.05412	0.7
70.06503	6.8
72.04429	3.2
72.08055	1.0
73.01063	0.4
73.24134	0.5
76.02151	3.7
79.05375	0.6
81.03336	3.9
81.06986	2.3
83.06021	0.7
83.08537	30.5
84.04430	23.8
84.08065	0.7
85.01023	0.9
85.02831	2.1
85.04829	0.5
86.09598	0.5
86.98978	5.1
88.02127	3.1
90.05491	3.7
91.05402	1.1
93.06944	0.5
97.02860	0.8
99.02594	0.8
99.04352	0.6
99.05507	0.5
102.05458	0.6
104.01630	21.1
105.07005	0.9
106.02865	1.1
106.40919	0.5
107.08544	0.7
110.07116	0.6
115.05743	0.6
116.01626	37.9
119.08611	0.7
120.08060	0.5
124.03911	3.1
126.05483	1.2
127.03909	1.0
129.06529	1.9
129.07361	1.0
130.04971	3.2
133.10040	0.5
137.02299	2.6
141.06485	0.7
142.03212	3.3
144.06442	0.8
147.08070	0.8
158.02687	100.0
159.03033	2.0
159.08368	22.3
161.09477	0.7
175.02638	0.5
176.03732	36.5
176.11015	1.8
187.05293	0.5
187.07785	0.5
205.08867	0.7
207.10210	0.6
222.01926	1.1
233.08446	0.6
250.07108	0.7
255.11256	0.6
276.12598	20.1
276.74506	0.5
277.07449	2.2
277.12949	0.8
293.15210	17.8
294.15482	0.6
295.08374	2.3
295.11826	0.7
321.09976	2.2
333.14786	3.4
334.15256	0.6
339.11035	5.8
357.12161	2.2
381.11746	0.8
399.13156	2.0
422.19385	2.4
423.10059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	1.3
53.49412	0.7
55.01806	4.0
55.05445	6.3
56.04976	0.8
57.03361	3.6
57.13268	0.6
58.56216	0.6
60.60185	0.7
61.02835	4.6
62.43106	0.7
62.86046	0.7
65.03843	1.1
67.05122	1.0
67.05431	17.1
69.03343	12.1
69.06995	1.0
70.06521	14.2
71.02312	0.8
71.04896	3.4
73.02841	1.4
79.05415	7.2
81.03346	11.2
81.06971	1.5
83.04438	1.4
83.04901	31.7
83.06017	1.3
84.04440	6.8
84.08067	4.5
85.02338	1.6
85.02824	30.7
87.04385	0.9
88.03902	1.5
91.03879	0.9
91.05403	36.6
93.06990	6.1
95.04919	8.0
95.08511	1.3
97.02820	9.4
97.06416	1.5
99.04361	3.9
103.03921	1.0
103.05373	1.6
105.06973	37.6
107.04890	4.3
107.08522	1.7
109.02820	5.2
109.06460	5.0
109.10078	1.4
110.07093	3.7
113.05936	2.0
115.05366	1.1
117.06973	17.2
119.04892	1.9
119.08540	73.0
120.08798	1.1
121.06492	6.1
121.10085	1.1
123.04381	1.5
123.08002	0.8
125.05984	6.2
127.03880	5.8
127.04887	1.0
128.06183	12.3
129.06967	55.7
129.10139	1.2
131.08511	3.4
133.10104	13.4
135.08023	3.9
137.05974	1.9
137.09601	4.7
137.28978	0.9
141.05424	3.6
143.08540	44.0
144.07985	1.2
144.09001	0.9
145.04935	3.0
145.06493	7.5
147.08028	99.6
148.08400	1.6
149.09628	1.1
151.07510	1.4
153.06946	11.8
156.06804	1.0
161.09586	24.2
163.07501	7.9
165.05437	1.8
165.09079	14.8
171.08002	10.4
171.09218	4.2
179.10657	5.1
181.04890	5.1
181.81502	0.9
189.09073	34.6
189.12659	1.5
207.10124	100.0
225.11165	25.6
225.14703	0.9
309.54910	0.9
330.93842	1.0
422.15524	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	2.2
53.83121	0.4
55.01801	2.5
55.05450	5.7
57.03368	2.1
61.02828	0.4
65.03820	0.4
67.05425	8.6
67.40195	0.4
69.03005	0.7
69.03349	10.6
69.06989	3.8
70.06502	3.2
71.04902	4.7
77.03825	0.7
79.05410	15.3
81.02908	0.9
81.03341	15.7
81.06973	6.9
83.04900	5.3
85.02827	7.5
86.09606	2.7
87.00739	0.7
91.05400	6.7
93.06989	3.8
95.04893	6.8
95.08530	3.9
97.02821	4.3
97.06466	4.4
98.04962	0.5
99.04388	8.1
103.03860	1.1
105.01791	0.5
105.06982	9.0
107.04898	26.0
107.05626	1.0
107.08525	3.8
109.02811	7.3
109.06458	4.5
109.10105	37.5
111.04384	2.6
111.08016	0.6
111.11692	0.6
115.07505	0.6
117.06943	2.3
119.08528	11.0
121.06441	3.2
121.10094	0.8
123.04369	2.2
124.07516	2.3
125.05956	3.3
126.05405	0.5
127.03853	4.2
127.04859	0.8
128.06171	5.7
129.07004	4.4
133.06432	1.1
133.10092	11.3
135.07988	1.9
136.07542	10.4
137.05949	0.7
137.09595	54.2
138.09090	6.2
139.11139	0.7
140.07178	0.6
143.06970	1.0
143.08553	17.4
145.05011	0.9
145.06458	1.1
145.10098	2.9
146.07242	4.7
147.08032	20.1
147.33942	0.6
149.02260	0.6
151.11113	0.8
152.07040	2.5
153.05440	0.8
159.08023	0.8
161.09586	100.0
162.09921	1.1
163.11145	1.0
164.07028	14.0
165.09085	60.8
167.07014	0.6
171.08037	1.0
173.04399	1.9
174.06714	1.8
179.10652	8.7
189.09065	9.9
197.11678	2.5
207.10133	41.4
225.11172	20.5
225.14644	0.7
231.04843	0.6
243.12160	0.6
244.07014	0.5
252.23264	0.5
258.29950	0.5
280.45819	0.6
289.15378	0.9
351.14563	0.6
369.15472	5.6
387.16437	20.2
422.18753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	1.1
57.07007	1.4
60.08100	17.9
67.05429	3.7
70.06520	3.7
71.07291	7.9
79.05447	1.2
81.02152	0.9
86.09629	52.8
88.07547	2.3
92.11025	1.9
95.08530	1.7
98.98396	5.3
102.09121	1.0
104.10677	100.0
107.08588	1.1
109.10134	1.1
124.99965	34.3
149.02313	19.6
151.34496	1.1
164.14626	1.0
184.07301	36.0
193.04942	13.9
199.79298	1.0
214.41556	0.9
246.75269	1.0
256.26355	5.8
259.61319	1.0
280.16107	1.1
349.20822	1.0
422.29938	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	7.8
55.01804	10.3
55.05450	30.8
57.03374	20.7
57.06996	6.9
57.07260	1.7
59.04934	3.5
67.05085	4.0
67.05431	100.0
69.03336	10.6
69.06984	22.8
71.04886	6.5
71.08551	15.2
79.04963	2.6
79.05406	38.1
81.03339	27.5
81.06509	3.3
81.06978	86.0
81.07450	4.0
82.03658	6.6
83.04900	13.9
83.08531	27.1
85.02825	3.4
85.06473	4.3
85.10089	1.6
91.05415	27.2
93.06973	63.6
95.04859	8.3
95.08527	28.5
97.02809	11.0
97.06442	12.1
97.10106	13.1
98.03156	2.7
99.08022	9.7
105.06979	16.5
107.04900	2.2
107.08548	34.9
109.02821	44.3
109.06424	3.5
109.10101	59.3
110.03149	24.2
111.08002	10.8
117.06915	14.2
119.08535	14.0
121.10088	19.7
123.11655	3.1
125.09573	9.9
127.03905	4.0
128.04219	2.1
131.08519	10.4
133.10051	22.3
135.08025	2.1
135.11656	13.4
137.09554	3.2
139.11137	2.5
145.10005	2.9
147.11658	7.8
149.13229	24.2
151.11159	7.4
155.10686	2.4
159.11682	18.5
161.13242	7.1
165.12759	7.0
169.04924	1.9
173.11697	21.2
177.12741	17.8
179.14247	3.3
195.13779	8.4
213.14661	1.6
229.14307	51.6
233.83354	1.7
245.13716	1.8
269.17419	82.7
272.06055	1.9
277.21524	19.6
295.22620	1.9
351.25211	27.1
352.48138	1.8
369.26282	11.8
423.23380	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	422.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39558	4.5
54.05941	4.4
55.05444	12.0
57.03372	65.4
57.07009	54.1
62.80233	4.5
67.05424	12.7
69.06982	9.0
70.61457	5.5
71.08536	44.5
71.57483	5.5
75.04385	49.1
81.06954	10.0
83.08517	14.1
83.93356	5.4
85.10087	23.5
86.09621	9.7
87.04385	6.6
95.07972	6.3
95.08517	31.9
102.37986	5.7
109.10094	8.1
131.07013	6.2
150.15645	5.3
160.55487	6.5
201.19308	7.6
313.27298	42.3
387.31003	100.0
444.92853	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	423.0896
Annotation	CHEBI:82808
Peak:m/z	Relative Intensity
52.63009	2.6
54.81510	3.2
56.96505	4.0
57.73842	2.4
58.31733	2.9
59.91159	2.5
59.96008	2.6
69.51226	3.2
72.08071	6.0
79.03436	3.1
84.08054	12.2
86.09628	15.0
98.97513	3.5
99.62226	2.7
132.10135	4.4
146.16518	4.6
168.22173	3.1
184.80502	3.8
261.03549	3.5
346.81415	2.8
423.08884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	9.9
57.07010	3.4
67.05428	33.5
69.06982	27.2
79.05407	18.9
81.06979	53.8
83.08540	6.4
86.09621	5.4
86.56385	3.3
91.05390	20.2
92.10262	5.4
93.06978	45.5
95.08537	100.0
105.06956	42.4
107.08538	66.2
109.06450	3.7
109.10094	45.9
111.08002	5.6
119.08519	43.5
121.10103	42.6
123.11639	17.4
131.08542	6.5
133.10115	36.6
135.11681	20.6
145.10098	20.7
145.87325	3.9
147.11673	23.1
149.13226	18.1
157.10124	5.8
159.11646	18.3
161.13184	22.6
163.14767	5.1
173.13219	18.4
175.14763	9.3
177.16331	8.4
178.24002	4.4
185.13300	5.9
187.14786	6.8
191.17873	5.1
201.16342	9.3
203.17929	8.4
229.19531	4.3
423.21332	70.3
423.36319	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2214
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
52.14234	1.2
53.00241	2.0
53.03889	2.3
55.01814	14.1
55.05451	23.5
57.03381	22.9
57.07030	2.0
57.55199	1.4
59.04935	2.3
61.02863	11.7
66.45741	1.1
67.05433	11.5
68.49152	1.4
69.03350	53.5
69.06989	69.7
71.01273	6.7
71.04896	2.6
71.08548	1.4
73.02835	39.1
79.05399	5.9
81.03338	11.8
81.06984	8.5
83.08502	2.0
85.02829	100.0
86.09628	2.5
87.04390	5.5
91.05414	2.9
93.06960	7.4
95.04868	2.2
95.08543	6.9
97.02823	50.3
99.04373	3.3
103.03855	2.2
104.30243	1.3
105.06994	2.7
107.08545	3.3
109.02832	12.0
109.10092	7.7
111.04321	2.1
111.11665	9.4
115.03857	14.1
119.08517	2.6
121.10120	3.3
123.08015	1.6
127.03885	22.0
133.04926	16.1
133.10100	2.2
133.38153	1.5
135.63779	1.4
145.04950	14.6
147.11609	1.7
163.05984	2.9
175.29697	1.5
184.07278	5.5
217.71603	1.5
233.26373	1.3
241.07068	1.4
244.53687	1.5
260.83136	1.4
267.80640	1.4
344.77844	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86289	0.7
55.01814	0.7
55.05446	2.0
56.96501	1.1
57.07000	3.6
63.35437	0.8
67.05437	2.2
69.03358	1.5
69.06983	3.5
70.06509	1.5
73.10813	0.8
76.32217	0.9
79.05425	1.1
81.06993	4.3
83.08538	1.1
84.95981	1.0
85.02824	1.3
88.07586	1.0
93.06966	1.8
95.08538	4.0
97.76986	0.8
98.00840	0.8
98.97520	3.3
102.09111	1.4
105.06977	1.5
107.08559	2.0
109.10117	2.0
116.98584	1.3
123.11682	1.2
133.10110	2.2
134.99532	1.1
146.99684	1.5
149.02353	4.9
150.02606	1.2
151.70010	0.9
159.11729	0.9
165.73767	0.9
177.00702	1.2
184.07288	3.7
189.00725	1.6
219.01672	1.2
256.26285	1.8
257.26636	1.4
322.15457	8.3
322.65427	1.4
337.20490	3.2
403.17932	3.6
423.27112	100.0
424.27594	5.2
441.63388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11428	1.9
51.25024	2.5
53.03875	3.4
55.01814	4.8
55.05452	30.4
56.59219	2.3
57.03363	6.2
57.07007	4.1
65.03869	3.6
66.56075	2.6
67.05429	97.3
69.03352	62.5
69.06979	17.2
69.92921	2.3
71.04929	2.8
79.04958	4.1
79.05406	80.0
81.03336	5.9
81.06976	100.0
83.08517	12.2
85.02831	22.6
86.09634	3.1
91.05412	46.4
93.06970	76.6
95.04869	12.7
95.08530	83.8
97.02807	13.6
97.06449	3.6
97.10091	2.7
104.97416	2.7
105.06969	44.1
107.08531	44.4
109.02804	3.4
109.10104	41.6
117.06968	19.0
117.13248	2.5
119.08527	38.6
121.10075	34.4
123.11626	9.8
127.03873	15.7
129.06938	4.6
131.08524	22.4
132.29446	2.7
133.10092	20.6
135.11664	25.6
143.08502	12.7
145.06311	2.6
145.10083	21.9
147.11685	15.6
149.13237	11.5
157.10107	3.4
159.11665	16.5
161.13243	6.5
163.14743	4.7
169.01549	2.6
171.11642	4.1
173.13237	13.1
175.14835	3.6
177.16417	3.7
184.07310	4.7
185.13266	3.6
187.14764	4.5
199.78763	2.5
201.16312	2.8
203.17999	4.0
243.20897	3.3
261.22012	25.0
303.22845	3.4
308.81757	2.9
423.19815	5.5
423.26865	4.1
423.35864	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00250	1.9
53.03880	13.8
53.26895	1.5
55.01807	8.8
55.05227	1.8
55.05460	30.2
57.03384	3.8
57.07007	10.3
67.05081	3.7
67.05429	100.0
69.03347	25.2
69.06980	24.3
71.04900	9.6
73.02818	3.5
74.59303	2.2
78.54808	1.9
79.05414	91.0
81.03343	22.8
81.06974	87.4
83.04900	4.0
83.08534	11.3
85.02824	3.9
86.09613	10.8
91.05406	59.2
92.10936	3.7
93.06979	96.5
95.04922	16.5
95.08535	65.3
97.02222	4.0
97.02824	87.1
97.06445	4.0
97.10078	3.1
99.04400	25.3
105.06982	35.1
107.08539	46.1
109.02827	13.8
109.06445	4.0
109.10118	28.2
111.07999	2.7
117.06971	16.6
117.82426	2.0
119.08542	37.4
121.06527	2.3
121.10098	55.2
123.11655	3.2
127.03864	20.3
129.06946	3.2
131.08537	29.2
133.10112	27.0
135.11664	23.2
143.08531	2.8
145.10081	17.1
147.11676	21.2
149.13234	13.1
157.10065	4.0
159.11603	14.8
161.13217	4.9
163.14758	3.2
167.33232	2.4
171.11635	2.5
172.95117	2.3
173.13216	11.5
175.11162	8.1
183.11743	2.2
185.09688	2.7
201.16484	2.6
243.21071	3.9
249.32745	2.1
261.22064	19.6
283.16858	35.2
289.21072	2.2
329.24844	2.3
339.23199	17.9
357.24039	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	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	10.4
54.81793	2.8
55.01815	16.2
55.05452	29.8
57.03377	13.7
57.07016	5.9
65.03864	2.6
67.05421	94.9
67.10746	2.2
69.03342	25.1
69.06969	26.6
70.06493	3.0
71.04919	17.4
73.02831	5.5
79.05400	86.0
81.03326	25.1
81.06967	92.1
83.08556	13.1
85.02856	5.7
86.09637	5.8
90.79496	2.7
91.05399	57.8
91.05945	3.1
93.06964	92.6
95.04905	16.9
95.08527	61.6
97.02818	100.0
97.06483	2.7
99.04361	38.3
105.06969	38.2
107.08530	43.6
109.02844	14.2
109.10086	24.3
117.06958	11.2
119.08527	23.1
121.10094	40.2
123.11674	3.5
127.03877	18.4
131.08556	19.0
133.10101	19.1
135.11644	21.8
145.04941	6.0
145.10135	16.5
147.11710	14.2
149.13263	4.3
159.11682	6.2
161.13249	5.7
172.95241	3.8
173.13260	4.6
187.14714	3.6
201.16307	2.5
261.22165	16.7
283.16757	20.9
293.43588	2.6
314.17746	2.9
339.23160	5.7
415.86920	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91513	3.8
53.03857	5.1
55.01806	6.8
55.05445	30.4
57.03359	5.5
57.06999	10.0
67.05425	86.1
69.03346	20.4
69.06982	22.0
70.06507	7.2
71.04884	4.6
71.08559	5.5
73.02844	5.6
74.09273	3.7
78.85519	4.1
79.05410	69.1
79.65888	3.9
81.03337	20.5
81.06972	93.0
83.08547	9.5
85.02831	6.9
86.09624	9.3
88.06797	4.7
91.05402	37.4
92.10218	16.7
93.06966	94.3
95.04888	6.3
95.08522	64.4
97.02814	100.0
97.03373	6.0
97.06469	5.5
99.04386	35.1
105.06951	34.6
107.08534	37.5
109.02818	8.1
109.10110	31.5
117.06984	22.2
119.08532	25.8
121.10099	53.1
123.07962	4.9
123.11681	7.8
127.03887	18.2
131.08525	10.5
133.10092	23.7
135.11694	18.2
145.04941	8.8
145.10085	6.0
147.11681	7.5
149.13138	6.5
161.13277	9.7
162.45422	5.1
173.13145	5.2
175.11176	4.4
175.14851	4.4
184.07367	7.5
259.69128	5.5
261.22052	10.4
261.24783	4.7
283.16888	22.0
309.20908	5.4
321.17017	4.7
339.22937	7.3
393.07532	4.3
402.67679	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	14.6
57.07010	2.8
57.22144	1.2
60.87449	1.2
67.05427	23.1
69.06989	22.3
70.06498	1.7
79.05396	13.1
81.06974	44.8
83.08537	8.3
91.05406	12.6
93.06975	38.1
95.04913	2.4
95.08533	100.0
97.10101	6.6
105.06978	38.8
106.86314	1.3
107.08537	56.4
109.06489	2.2
109.10108	47.7
111.08049	10.2
111.11680	2.0
115.39195	1.5
117.06995	6.3
119.08534	45.6
121.10103	35.0
121.10928	2.4
123.11656	20.1
129.06931	1.5
129.45050	1.3
131.08539	11.7
133.10083	38.2
135.11638	28.3
137.13234	5.4
139.11130	1.5
143.08542	8.8
144.09340	1.7
145.10100	23.7
147.11664	27.6
149.13275	12.6
155.08522	1.5
156.87010	1.4
157.10129	8.7
158.10854	1.6
159.11671	25.5
161.13229	20.4
163.14807	8.3
171.11647	6.5
172.12448	1.7
173.13235	15.2
175.14720	12.0
177.16364	12.6
183.11613	1.6
184.07146	1.5
185.13220	5.2
187.14725	12.4
189.16402	11.1
191.17850	5.1
199.14827	7.0
201.16347	24.9
203.17940	16.1
205.15991	1.8
205.19609	1.8
211.14803	1.5
213.16380	5.9
215.17952	7.2
217.15839	2.2
217.19453	9.3
219.17458	1.7
227.17947	6.5
229.19458	2.8
241.19363	1.8
243.20927	2.7
255.21027	4.8
257.22614	2.3
269.22546	7.7
295.09814	1.4
331.30417	1.8
365.32419	1.4
405.35211	2.5
423.36090	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.7
55.05446	15.5
57.07019	1.8
67.05419	25.5
69.06989	24.4
73.22095	1.2
79.05400	15.3
81.06974	49.3
83.08526	10.4
85.29800	1.5
88.28935	1.2
91.05396	14.7
93.06966	37.6
95.04901	1.6
95.08533	100.0
97.10086	3.3
105.06979	37.6
107.08541	59.1
109.10103	54.1
110.00755	1.1
111.08034	10.5
117.06966	5.3
119.08534	51.6
119.09341	2.5
120.70573	1.5
121.10087	40.3
123.11650	15.1
131.08499	11.1
133.10095	42.9
134.48427	1.3
135.11636	23.6
137.09677	1.4
137.13237	7.9
142.07857	1.6
143.08563	3.3
145.10136	25.1
145.90152	1.5
147.11671	29.4
149.13251	19.1
157.10155	4.7
158.10878	2.4
159.11647	26.9
161.13231	20.8
163.14760	13.4
171.11674	7.4
173.13268	18.2
175.14752	14.0
177.16322	13.4
185.13275	5.6
187.14758	11.4
189.16333	10.8
191.17924	7.7
197.13228	2.0
199.14867	3.2
201.16324	22.8
203.17924	20.6
205.15837	2.2
205.19589	3.1
213.16309	3.1
215.17946	7.9
217.19391	10.8
219.17365	2.4
221.14903	1.5
227.17982	6.8
229.19438	7.1
231.20947	1.6
243.21133	2.6
255.21088	6.2
257.22552	8.2
269.22629	3.2
271.24432	1.7
365.31946	2.7
366.67929	1.8
405.34818	5.5
423.36179	56.9
424.36096	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	18.1
57.06993	6.1
59.20409	3.0
67.05420	49.1
69.06980	22.2
69.83867	3.2
75.41130	3.4
79.05411	40.7
81.06976	62.3
83.08516	16.0
91.05392	26.3
93.06961	59.2
95.04871	5.4
95.08523	100.0
97.02827	18.7
105.06980	38.2
107.08539	52.3
109.06429	6.4
109.10098	50.7
111.07985	5.4
117.06950	7.6
119.08523	44.0
121.10065	40.4
123.11656	8.5
131.08549	18.3
133.10080	37.7
135.11641	18.6
143.08557	6.0
143.64182	3.8
145.10095	17.7
147.11642	22.6
149.02290	8.7
149.13232	5.8
157.10088	7.7
159.11646	21.1
161.13176	23.6
163.14717	8.7
171.11591	4.8
173.13239	16.9
175.14752	8.7
177.16307	7.2
184.07237	8.3
187.14731	13.8
193.04773	5.1
201.16298	8.3
203.17921	15.3
215.18028	4.4
218.34036	4.2
423.30643	4.7
423.35983	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	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66112	2.5
54.78818	2.4
54.81594	3.2
55.05460	21.7
55.93872	2.2
57.06992	5.3
60.08092	4.7
60.38461	2.4
64.33158	2.9
67.05424	38.2
67.33155	2.6
67.51019	2.9
69.06976	24.8
79.05387	21.4
81.06969	52.3
83.08527	6.0
86.09605	26.6
91.05408	24.0
93.06958	50.2
95.08533	100.0
97.10065	4.4
105.06981	52.8
106.80500	3.1
107.08541	55.3
109.10105	60.5
111.08050	3.4
115.31904	3.0
119.08545	63.8
121.10086	46.3
123.11653	16.3
124.99940	6.7
131.08530	14.6
133.10095	58.2
135.11674	32.2
137.05971	3.7
137.13214	6.3
143.08508	4.8
145.10088	23.5
147.11685	38.3
149.13217	18.4
157.10081	5.1
159.11658	20.0
161.13231	23.6
163.14798	10.9
171.11705	5.5
173.13210	16.1
175.14819	16.2
177.16299	13.3
184.07280	29.7
185.13176	3.6
187.14742	13.6
189.16316	12.3
191.17957	5.1
199.14775	4.3
201.16356	7.1
203.17891	27.7
213.16238	4.5
215.17891	11.8
217.19424	7.3
229.19423	12.6
423.36072	67.9
424.36133	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	424.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81259	0.4
56.04975	3.6
59.28366	0.3
66.14014	0.4
67.54968	0.4
68.62981	0.4
70.06507	1.0
70.11892	0.5
79.05415	1.0
84.04428	68.7
84.08074	0.4
85.02824	2.2
91.05387	1.0
93.06961	1.8
102.05479	4.9
103.05405	8.4
107.04917	4.8
110.07118	0.5
114.36423	0.4
119.08571	0.4
120.08059	100.0
121.08406	0.8
122.05972	0.7
130.04962	18.5
130.06448	0.8
131.04887	4.7
131.08611	0.4
148.05997	3.8
148.08406	0.5
149.05963	1.5
149.09543	0.4
150.05479	0.7
166.08597	24.3
167.08183	2.1
168.06520	3.6
168.08084	2.8
180.39357	0.4
184.07533	0.8
185.10704	5.1
186.09111	28.0
195.07579	2.2
196.05969	0.7
213.08716	0.6
231.11179	2.9
232.09587	5.0
241.08115	2.8
249.12392	0.4
259.09253	3.0
278.10214	1.0
278.50470	0.4
295.12814	6.8
360.15567	2.8
406.15881	7.2
407.14319	0.5
424.17108	5.5
434.03275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	1.2
55.01810	1.3
55.05453	1.7
56.04972	4.2
57.03366	1.2
61.02856	1.5
66.76435	0.9
67.05427	4.5
68.04943	1.3
69.03340	5.5
69.06984	12.7
70.02873	2.1
70.06506	21.1
71.04902	7.6
72.08070	2.1
79.05407	1.8
81.03316	1.1
81.06974	10.0
81.38588	0.8
83.04916	1.3
83.06017	5.7
84.04427	68.5
84.08067	1.8
85.02825	13.0
85.06451	1.0
86.09624	100.0
87.87064	0.8
90.05480	1.9
91.05408	20.7
93.06954	4.8
95.04893	11.8
95.08540	8.3
96.04457	1.4
97.02825	4.6
97.06494	1.0
98.03136	0.8
98.05994	0.8
99.04395	3.4
99.08041	1.0
103.03897	3.8
103.05382	1.5
105.06989	1.3
106.05940	0.8
107.04884	5.2
107.08534	1.1
108.04379	1.1
109.02853	1.8
109.06473	1.8
110.07115	7.4
111.04381	1.6
113.07076	1.3
119.04890	35.1
120.05251	1.4
120.08038	5.4
121.06441	3.2
121.10070	0.9
123.03479	1.9
123.04379	53.3
123.08068	3.4
126.05419	1.4
127.03867	5.7
129.05544	2.0
129.06535	17.1
130.04973	1.7
130.06479	6.2
131.08539	1.6
132.10153	16.5
133.10019	0.8
134.05966	1.4
135.04373	1.3
136.07553	82.7
137.05969	1.2
137.07901	1.4
141.06563	1.4
141.12759	2.1
145.04927	1.9
146.05994	2.0
147.04382	22.4
149.09634	1.7
151.03922	1.6
152.10674	1.6
154.05009	1.1
158.05974	32.8
159.06534	1.1
165.05424	46.4
166.05811	1.0
169.13361	1.3
176.06985	7.0
182.04527	3.6
182.08093	38.3
183.04749	1.4
184.07545	7.1
186.09097	1.2
197.12807	23.3
198.11191	5.3
200.07047	3.8
201.10233	12.2
202.08595	53.6
203.08884	3.5
209.11696	5.7
220.11530	0.9
227.12689	2.1
243.13318	8.3
245.13870	1.2
247.10732	8.6
248.09023	7.6
314.18631	1.2
339.19760	1.0
340.89322	0.9
360.19162	5.3
388.18509	1.2
406.19638	32.5
407.18402	1.2
424.12195	3.2
424.20572	11.4
425.14078	14.1
436.40997	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37421	1.9
51.48897	2.0
53.03888	6.3
55.01805	10.8
55.05455	29.9
57.03361	10.6
57.07020	3.8
61.02846	5.5
67.05429	92.9
69.03346	38.5
69.06992	68.7
70.06500	3.3
70.44048	2.1
71.04900	15.3
73.02826	5.5
79.05399	15.7
81.03350	30.7
81.06976	62.1
83.04903	3.1
83.08535	23.9
84.04411	3.9
85.02828	100.0
86.09629	5.1
87.00755	27.0
87.04418	4.2
88.36817	2.4
91.05418	4.2
93.06970	9.9
95.04906	3.5
95.08524	6.0
97.02817	43.5
97.06443	3.4
99.04391	47.3
103.03886	83.8
104.99114	2.4
105.01820	25.9
105.06980	10.7
107.08532	5.7
109.02826	23.5
110.07202	3.6
115.03865	26.0
117.06994	3.4
119.08533	3.0
121.06475	3.0
123.11658	14.3
125.02308	4.7
127.03880	85.4
133.10051	3.3
145.04944	33.7
159.02917	3.9
161.04396	3.8
163.06006	18.7
165.12692	3.5
179.80092	2.7
231.13654	3.0
249.14828	3.9
271.08078	3.1
311.65805	2.5
335.14859	5.4
353.15732	4.2
407.29071	4.1
409.48566	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	424.3207
Annotation	Radarin B
Peak:m/z	Relative Intensity
53.30541	0.4
54.81425	0.4
55.05444	2.1
57.07007	10.6
57.69383	0.4
58.25817	0.5
62.36272	0.4
67.05418	2.4
69.03327	1.0
69.06983	1.1
69.73710	0.4
79.05408	1.1
81.03349	0.6
81.06966	2.9
86.09627	22.2
89.32452	0.4
91.05387	3.5
93.06958	3.3
95.08509	2.3
96.51654	0.4
97.06447	0.6
105.06980	11.6
105.35209	0.5
106.07295	0.6
107.04895	1.0
107.08543	3.5
109.10098	0.5
117.06935	0.5
119.08533	17.6
121.06489	5.2
121.10090	35.3
131.08557	0.8
133.06456	1.1
133.10097	20.6
135.11696	0.6
142.07727	0.8
145.06381	0.6
145.10080	2.5
147.08038	1.1
147.11659	32.4
148.12013	0.9
151.11124	0.7
157.10085	2.3
160.08775	0.8
163.11156	0.7
175.11140	16.1
177.12753	0.7
184.07343	0.5
190.18182	0.6
215.35345	0.4
283.16855	100.0
284.17181	3.6
339.23120	43.9
340.23138	0.7
377.54037	0.5
424.32065	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	424.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07015	44.5
63.33244	1.8
69.07000	3.5
71.08546	27.8
73.06451	2.2
85.10104	13.9
89.05948	100.0
93.99415	1.5
99.11669	2.4
107.07018	3.0
111.11686	1.7
117.09089	2.3
133.08559	26.8
177.11176	7.6
239.14810	26.7
257.24728	2.1
316.97617	1.9
407.33417	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	425.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
73.16052	0.9
94.93087	0.9
97.02837	1.6
101.00821	11.6
119.01878	54.5
120.02046	1.3
131.01865	17.0
137.02939	11.5
143.01888	32.9
145.03441	16.6
147.01392	1.6
149.02962	5.4
155.01866	17.7
157.03430	10.9
161.02930	100.0
162.03088	4.8
163.04507	4.5
167.01857	6.5
169.03456	5.8
171.05016	6.4
173.02924	36.6
174.03076	1.3
175.04509	5.5
179.01814	2.4
179.04013	3.8
185.01270	2.3
185.02925	60.3
186.03017	1.9
187.04501	6.8
191.03995	8.7
197.02937	23.5
199.04503	2.0
203.03973	22.6
209.02988	1.4
215.04021	17.1
221.05048	4.0
227.03900	9.4
245.05019	98.2
246.05310	4.5
257.04977	5.1
263.06070	23.2
264.06235	1.4
275.06024	9.5
293.06982	2.1
305.07193	7.1
335.08087	1.7
365.09122	7.1
425.11240	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	425.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	10.4
55.01783	6.5
55.05446	26.1
57.03381	9.7
65.51478	6.4
67.05418	15.6
69.03047	6.7
69.03352	94.3
69.06987	8.9
71.04910	9.0
79.05418	87.4
79.17149	5.9
81.03324	42.2
81.06966	41.0
83.04887	35.1
84.04463	7.8
85.02826	38.5
87.00744	14.0
91.05385	41.2
93.06977	100.0
95.04890	8.7
95.08527	10.9
97.02828	41.5
97.06441	10.7
97.62923	6.5
99.04409	10.8
100.11184	13.1
105.06970	11.6
107.04897	12.4
107.08537	34.0
109.02846	64.3
119.08530	15.6
121.06450	10.2
121.10097	12.0
125.05945	8.7
125.11851	6.7
125.64081	6.3
127.03872	46.5
131.08539	8.4
133.10083	29.3
135.07976	9.9
135.11662	99.2
145.10091	11.3
177.12828	7.3
179.72755	6.3
195.13721	14.7
210.14810	7.9
407.16519	28.2
424.22836	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	425.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67080	0.4
53.03890	1.0
55.01805	0.8
55.05444	2.8
56.04964	1.2
56.36724	0.4
56.96500	0.9
57.03357	0.6
63.59000	0.4
64.33228	0.5
65.03848	0.6
67.05423	2.4
69.03357	4.6
70.02841	0.5
70.06508	23.5
71.04910	2.1
72.08062	3.3
73.02834	0.8
74.05962	0.7
74.39971	0.4
74.62424	0.4
75.04428	0.4
77.21048	0.5
79.05405	3.1
79.95967	0.5
80.05725	0.6
81.03336	5.4
81.06997	0.9
83.04911	0.5
83.08524	0.9
84.04425	2.7
84.08051	2.4
85.02821	16.2
85.03949	5.3
86.09637	4.0
88.03912	2.4
91.05402	40.6
92.10892	0.6
93.06974	1.2
95.02438	0.5
95.04890	2.3
95.08529	1.0
97.02820	4.5
98.97495	0.7
99.04382	12.1
103.03879	18.0
103.05363	0.9
105.06966	2.4
107.04879	7.3
107.08547	0.9
108.05229	2.1
109.02827	4.3
109.06470	2.1
109.10113	6.3
110.10443	1.2
115.08688	0.6
116.07036	2.4
117.05664	0.5
117.06978	0.7
118.06491	9.4
119.04895	26.4
119.05761	1.1
119.08537	2.5
120.05176	0.6
120.08060	5.9
120.08855	1.1
121.06440	0.6
126.05473	0.6
127.03879	16.5
127.04917	1.8
128.06171	0.9
129.06981	0.5
129.10138	0.6
130.06488	10.8
132.08051	18.8
133.10080	2.1
136.07550	100.0
137.07928	1.2
137.09607	9.1
138.09927	3.5
142.06476	1.2
143.07401	0.5
143.08556	2.1
144.08023	7.1
145.04944	4.5
146.05989	38.7
146.07187	1.2
147.04396	3.3
147.08011	3.4
147.09081	0.7
148.07478	5.6
158.08339	0.8
159.09149	20.7
160.07527	0.8
161.09584	14.8
162.09909	6.6
163.05983	2.9
165.09093	7.3
166.09431	2.9
169.07538	0.9
169.13341	2.1
170.05949	5.6
171.09128	2.7
179.10709	0.9
183.14961	2.8
187.08699	3.6
188.07025	77.9
189.07419	1.1
189.09073	1.1
193.09679	2.3
197.12854	1.9
205.09695	27.4
207.10144	3.0
208.10468	2.1
210.88353	0.5
216.11319	6.5
221.09184	4.9
221.10979	0.6
225.11195	0.8
226.11401	0.7
244.10774	3.2
262.11804	17.7
281.06775	0.9
310.21255	1.1
370.55917	0.6
380.16034	0.7
387.16812	0.5
425.17935	4.8
425.27356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75614	0.4
53.71754	0.4
54.52877	0.4
55.05440	1.0
58.02865	0.5
63.80315	0.4
67.05435	0.8
67.09195	0.6
69.03352	0.7
70.06505	1.1
72.81753	0.4
81.03342	0.8
81.06965	0.5
83.04893	0.6
84.04417	0.8
85.02817	2.8
85.03956	4.7
86.09606	0.7
91.05405	32.1
92.63988	0.5
99.04381	2.0
103.03868	2.3
104.82749	0.5
107.04906	2.0
109.06501	0.5
117.06992	0.5
118.06494	8.4
119.04895	21.7
120.08063	0.8
120.10296	0.5
121.06464	0.6
127.03877	2.6
130.06490	7.5
132.08055	17.1
136.07550	100.0
137.07889	2.1
140.10687	0.6
142.06520	0.9
144.08066	7.5
145.04967	0.5
146.05988	36.5
147.04388	2.6
148.07545	5.3
151.03879	2.5
158.08432	0.6
159.09148	20.4
160.07539	0.6
169.07594	0.6
170.05931	4.0
171.09097	1.9
187.08606	2.7
188.07024	67.0
189.07397	0.9
193.09691	2.9
197.07097	0.5
199.08636	0.8
205.09685	26.2
216.11316	5.2
221.09129	3.5
227.89189	0.5
244.10736	2.9
262.11826	17.1
380.15897	1.1
407.17465	0.6
425.18024	5.1
425.31177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	2.2
54.54121	0.5
54.90093	0.5
55.01809	0.8
55.05459	3.9
56.04972	4.3
57.03368	3.7
57.19746	0.5
59.04929	1.0
61.01085	1.0
61.02847	0.6
69.03352	8.4
70.06505	3.0
71.04919	4.0
72.08059	0.7
73.02818	0.9
81.03329	6.1
81.06953	0.7
83.08547	2.4
83.88236	0.5
84.04417	6.6
84.08070	2.3
85.02828	18.1
85.06440	0.6
91.05402	1.3
95.04893	0.6
97.02837	4.9
99.04386	21.6
103.03880	22.7
103.05378	2.3
104.05266	2.5
107.04919	0.6
107.08489	0.6
109.02836	4.8
110.07153	0.8
117.05452	2.4
119.04942	0.7
119.33322	0.6
120.08058	19.7
127.03875	21.1
127.04793	1.1
131.04878	0.7
132.06909	0.6
132.08069	3.4
133.03140	2.2
136.07567	0.8
145.02791	1.1
145.04945	4.5
146.08391	2.9
147.04427	1.2
147.09149	100.0
148.09508	1.3
150.05818	2.8
159.09111	4.3
160.07564	8.5
160.09897	0.9
161.10738	2.3
163.05975	4.0
166.08618	3.6
167.08179	2.2
177.05479	0.8
178.08551	4.6
179.73318	0.5
185.10776	1.0
186.09138	7.2
189.10185	8.9
213.08728	1.3
219.11223	1.4
223.93155	0.6
231.11229	1.4
232.09644	1.2
235.63780	0.6
245.12839	4.4
249.35530	0.6
261.09018	0.8
263.13849	3.2
281.14862	9.8
289.09457	0.6
305.14771	0.8
323.12476	0.9
323.15823	6.2
324.16315	0.6
336.32120	0.5
363.19025	10.6
365.16998	22.3
366.17368	0.8
389.16846	0.7
407.17917	0.8
408.15784	3.1
425.19073	73.6
426.19360	3.6
441.43665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	1.3
56.91755	0.4
58.84157	0.5
65.13185	0.6
67.05419	0.8
76.08514	0.5
76.55057	0.4
78.76639	0.5
81.06958	0.7
81.82195	0.5
85.02824	0.7
86.09635	0.7
86.91385	0.5
91.05418	0.7
92.10923	2.1
95.08527	1.1
97.02817	0.7
100.11189	2.4
105.06963	0.8
107.08568	0.5
111.04193	0.6
121.10123	0.7
135.51041	0.6
145.45659	0.5
158.13573	0.5
168.13885	0.5
170.83882	0.5
178.27126	0.5
209.84795	0.5
210.14844	0.6
218.47662	0.5
319.18811	0.7
425.24994	100.0
426.25494	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94366	0.3
54.81243	0.2
55.05447	0.6
56.29215	0.2
56.96496	0.3
64.98854	0.3
67.05435	0.7
69.03349	0.4
69.06956	0.5
79.05397	0.3
81.06966	1.8
85.02876	0.3
85.75222	0.2
91.05405	0.3
92.10922	1.2
93.06976	0.7
95.08545	2.0
97.02827	3.7
105.06969	0.6
107.08532	1.1
109.10108	0.7
119.08547	1.1
121.10109	0.6
123.11645	0.3
131.04904	2.0
131.08589	0.4
133.10120	0.4
137.11226	0.3
143.08479	0.3
147.11662	0.4
173.13210	0.3
222.03970	0.3
319.18796	0.4
381.18765	1.4
424.36530	0.6
425.18073	7.6
425.24985	100.0
426.25250	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	425.266
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
54.56621	0.5
55.05454	5.6
57.03373	9.3
57.06736	1.0
57.07013	29.4
61.73912	0.6
65.09287	0.6
67.05422	5.9
69.06989	4.3
71.08549	19.0
74.06061	0.7
81.06989	7.5
83.08549	4.3
85.10118	9.8
86.09660	1.0
89.05969	1.5
93.06923	0.8
95.08530	10.7
96.93852	0.6
97.10088	1.5
99.52939	0.7
109.10094	4.1
112.99969	100.0
123.11700	0.9
124.99978	0.8
131.01010	1.0
155.58096	0.6
169.02577	55.6
184.07288	1.0
184.79045	0.6
187.03645	1.4
209.35442	0.7
216.01414	0.7
222.46022	0.6
268.35928	0.7
313.27295	25.1
314.27734	0.7
407.25467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97609	6.6
54.81616	9.2
55.05437	40.1
57.07000	30.7
67.05428	100.0
69.03340	52.6
69.06964	48.0
72.03774	7.7
74.09613	17.6
79.05399	38.1
79.79003	6.7
81.06968	98.9
83.08511	7.4
86.09614	39.2
87.67488	7.0
91.05397	18.1
93.06960	49.4
95.04952	9.3
95.08523	76.9
97.02802	13.2
105.06977	9.6
107.08521	32.6
109.10078	28.4
119.08521	36.9
121.10090	39.6
127.03937	12.2
131.08501	10.1
132.01558	7.8
133.10127	32.6
147.11642	16.7
161.13313	8.1
175.11107	10.4
204.62813	7.5
224.42191	8.6
258.76895	8.6
283.16837	32.9
284.17163	37.1
339.22903	25.7
340.23370	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71760	3.4
53.03861	4.4
54.02277	3.4
54.81553	4.3
55.01799	6.2
55.05435	28.9
57.03365	6.3
57.07000	4.9
59.06049	3.8
67.05428	100.0
68.61529	3.7
69.03345	22.3
69.06985	31.6
71.04902	7.0
72.65571	3.8
77.46783	3.8
79.05380	38.2
81.03326	18.8
81.06969	95.5
81.23255	4.2
83.04876	6.6
83.08538	8.6
84.04450	4.5
85.02853	5.5
86.09618	17.2
91.05402	24.8
91.11127	4.4
93.06972	35.3
95.04912	5.2
95.08521	57.7
97.02802	66.5
97.10112	4.8
99.04381	25.1
105.06956	18.0
107.08528	19.3
109.02811	8.7
109.06512	5.2
109.10110	24.8
116.01424	4.5
119.08521	8.3
121.10078	5.9
123.08018	6.1
123.11701	9.3
123.16157	5.7
124.99943	5.0
127.03847	9.1
133.10118	8.7
137.66614	5.0
161.13133	7.2
172.95155	5.8
184.07281	19.6
263.23660	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	425.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	2.1
55.01803	3.1
55.05452	26.2
55.21724	1.4
57.07008	6.8
67.05426	100.0
67.05785	3.3
67.67148	1.4
69.03338	2.9
69.06996	24.4
71.04911	1.8
71.08542	1.7
79.05407	28.9
81.03350	3.4
81.06974	90.6
83.04911	2.9
83.08564	12.8
86.09624	7.1
91.05412	16.9
92.10234	3.0
93.06966	33.6
95.04885	2.6
95.08532	66.9
97.02823	59.8
97.06489	2.9
97.10096	7.1
99.04384	2.4
105.06982	18.9
107.08542	16.8
109.02795	1.7
109.10091	22.8
111.08047	2.6
116.59682	1.7
117.06945	3.2
119.08549	15.0
121.06473	1.8
121.10107	20.3
123.11659	10.7
127.03882	2.5
129.07004	1.7
131.08545	3.3
133.10046	14.3
135.11662	2.8
137.13254	3.3
147.11678	13.9
149.13246	3.9
161.13190	2.1
163.14743	3.6
175.11122	2.0
175.14771	2.8
189.16412	1.6
245.22659	3.4
261.22083	2.5
263.23648	29.8
275.24011	2.0
278.54791	1.9
283.16840	15.6
284.17169	10.0
331.26266	9.7
339.23105	3.3
340.23434	2.7
341.24719	3.3
359.25690	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	2.3
55.01803	4.8
55.05439	23.0
57.03380	3.4
57.06999	2.8
57.12556	2.7
59.27674	2.3
64.37601	2.7
67.05428	94.8
69.03345	13.0
69.06990	21.8
70.62794	2.5
71.04922	2.8
73.74494	2.2
79.05408	28.2
81.03343	12.7
81.06973	100.0
81.07446	3.4
83.08548	19.1
91.05409	22.6
93.06980	30.0
95.08537	63.8
97.02824	57.4
97.06492	3.4
97.10124	5.0
99.04385	17.5
101.61454	2.6
103.21268	3.0
105.06973	17.5
107.08539	21.4
109.02822	6.7
109.10119	28.8
111.08090	2.5
119.08527	13.7
119.52010	2.8
121.10105	11.6
123.11635	11.5
127.03918	5.8
133.10104	5.2
135.11674	3.8
149.13164	4.3
163.14841	3.1
175.14844	3.3
185.39236	2.6
191.87737	2.9
213.13235	3.1
263.23663	32.6
319.64551	2.8
359.25552	12.0
420.43558	3.1
429.47144	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	3.5
54.81203	0.4
55.01814	1.6
55.05454	5.9
57.03374	3.6
57.07006	1.1
60.08093	1.7
62.74935	0.4
65.03851	0.4
67.05430	14.7
69.03004	0.7
69.03352	13.9
69.06991	5.4
71.01260	2.1
71.04905	2.5
71.07263	0.8
71.08545	0.8
79.05405	6.6
80.32472	0.4
81.03336	11.7
81.03786	0.8
81.06971	14.7
83.04887	2.2
83.08524	3.1
85.02827	10.9
86.00587	0.6
86.09624	9.0
91.05392	5.5
93.06974	7.5
95.04903	2.6
95.08541	11.2
97.02821	100.0
97.06445	0.7
97.10105	0.8
98.98389	0.7
99.04373	3.8
99.08023	0.8
104.10676	0.7
105.06993	4.9
107.04876	0.8
107.08561	4.1
109.02841	3.8
109.06456	1.1
109.10117	3.9
111.04424	0.7
117.06985	1.7
119.08521	3.9
121.06470	1.0
121.10118	2.5
123.04377	0.5
123.11634	1.0
124.99944	6.8
127.03863	7.3
129.06975	0.7
131.08531	3.2
133.10097	2.2
134.32475	0.4
135.08067	0.8
135.11627	1.7
143.08464	0.6
145.04933	1.0
145.10083	1.0
147.08003	0.8
147.11681	2.0
149.13246	1.1
157.10080	0.6
159.11583	0.6
161.13225	1.0
175.14793	0.5
179.27745	0.5
184.07317	13.7
185.07501	0.5
185.13275	0.6
245.18167	0.5
245.22549	0.8
263.23718	0.7
272.52670	0.5
288.98468	0.5
343.22269	1.0
359.25931	1.8
371.25732	2.0
389.26849	3.1
401.80606	0.5
407.27560	0.8
425.28860	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	425.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	3.6
55.05452	24.3
57.03362	3.2
57.07010	9.7
57.67385	2.1
58.25315	2.0
63.51044	2.7
63.96954	2.1
67.05431	98.5
69.03350	33.4
69.06985	19.8
71.42010	2.2
75.61472	2.2
79.05418	31.1
81.03315	6.2
81.06981	100.0
81.92331	2.5
83.08535	15.4
85.02825	5.0
85.06435	2.9
86.09635	6.2
86.42656	2.5
91.05420	19.2
92.10137	4.8
93.06989	37.3
95.04919	5.2
95.08539	72.0
96.53737	2.4
97.02824	36.8
97.06443	2.6
97.10134	4.9
102.31505	2.8
104.10686	5.1
105.06964	17.3
107.08546	21.7
109.10116	22.5
109.61110	2.3
119.08549	14.3
121.10108	17.1
123.11654	14.1
124.99964	4.8
127.03902	6.2
131.08588	3.4
132.89226	2.4
133.10124	6.0
135.11693	12.2
137.13231	4.9
138.52867	2.9
139.11012	2.5
147.11684	3.8
149.13214	4.4
161.13126	4.5
175.14714	3.5
184.07330	10.1
187.14677	3.8
245.22780	3.8
263.23657	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	1.7
53.03875	2.0
55.01803	2.5
55.05447	24.5
56.96474	2.1
57.03363	2.0
57.07002	7.7
57.85417	1.9
65.03874	2.1
67.05426	100.0
69.03331	9.1
69.06988	27.0
71.08560	2.4
79.05406	30.4
81.03320	4.5
81.06513	3.5
81.06976	98.6
82.86942	1.7
83.04872	2.2
83.08540	13.7
86.09612	3.1
91.05394	22.3
92.10969	4.9
93.06966	34.0
95.04900	2.7
95.07963	3.5
95.08532	71.3
96.85733	2.0
97.02828	60.4
97.06440	3.3
97.10109	4.1
99.04350	2.2
105.06973	16.1
107.08527	16.7
109.10106	26.1
119.08539	13.6
121.10097	14.3
123.11654	11.9
127.03802	3.4
131.08501	3.8
133.10091	14.0
135.11670	4.6
137.13196	3.4
145.10146	2.8
147.11664	9.3
148.10651	1.7
149.13242	6.8
161.13188	4.0
163.14775	3.5
175.14835	2.3
184.07364	2.3
223.32909	1.9
245.22450	3.4
261.21970	2.6
263.23630	31.9
283.16840	3.1
298.12860	2.1
331.26221	3.8
341.24780	2.6
359.25555	9.3
414.02744	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	425.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50889	0.6
53.00237	3.2
53.03874	3.5
53.82671	0.6
55.01595	0.6
55.01814	10.7
55.05196	1.0
55.05449	25.7
57.03371	6.9
57.07009	6.3
64.38498	0.7
65.03853	1.6
67.05424	100.0
68.71617	0.9
69.03345	8.8
69.06604	1.0
69.06987	25.0
71.04897	10.6
71.08524	1.1
73.02824	5.4
78.86518	0.7
79.05400	26.9
81.03324	9.9
81.06970	89.3
83.04887	2.9
83.08541	10.5
85.02804	3.9
85.06442	1.6
86.09622	1.3
91.05404	19.8
92.10828	1.2
93.06967	27.0
95.04868	4.9
95.08527	62.7
97.02815	71.5
97.06453	3.3
97.10085	5.6
99.04383	32.5
99.08020	0.9
105.06973	13.0
107.08517	14.3
109.02825	10.8
109.06460	0.8
109.09393	1.3
109.10098	22.8
111.04427	0.9
114.67567	0.7
115.45071	0.8
115.51047	0.8
117.06935	1.1
119.08530	11.3
120.90619	0.7
121.06483	1.2
121.10086	12.4
123.08001	0.8
123.11660	9.0
127.03866	15.2
131.08499	3.5
133.10103	9.2
135.11626	6.4
137.13165	3.1
145.04927	7.1
145.10143	1.2
147.11647	4.8
149.13193	3.6
151.14774	1.3
159.11668	0.9
161.13246	6.1
163.14832	1.2
175.14775	5.3
177.16290	0.8
184.07272	1.8
189.16367	1.0
231.26961	0.8
245.22545	4.6
263.23590	18.3
345.45853	0.8
371.25797	1.4
374.73291	0.8
389.26437	1.1
407.27914	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86899	0.8
53.03898	1.9
55.01827	1.1
55.05464	0.9
56.04978	1.6
56.96502	2.2
59.15630	0.8
59.20491	0.8
60.04451	4.3
61.02851	1.2
64.90565	0.8
67.05419	2.4
68.96147	0.8
69.03358	6.9
69.06997	1.6
69.55602	0.9
70.02878	1.2
70.06514	14.8
71.04900	10.6
74.02361	2.3
81.03349	8.3
81.06967	7.0
82.07304	1.3
84.04430	21.4
84.08076	4.5
85.02837	23.5
85.06463	1.3
86.09629	18.5
87.04406	1.6
87.05498	7.3
88.03924	11.9
91.05405	5.9
91.78978	1.1
93.06957	1.2
97.02830	11.9
98.97543	1.3
99.04401	14.4
101.07055	2.5
103.03889	26.8
103.05389	1.6
109.02850	5.9
110.07114	5.4
112.08630	1.1
113.07067	1.0
116.98591	1.6
118.08649	1.2
119.04913	9.4
119.08528	1.1
120.08060	50.4
121.06437	1.3
121.08398	2.2
127.03877	30.6
129.06581	1.6
133.06044	9.8
141.12735	3.8
145.04976	7.4
145.05991	0.9
147.04395	41.0
147.05496	1.8
150.07730	100.0
157.13470	1.2
161.01059	1.1
163.05983	6.8
178.08635	5.8
181.06081	2.3
190.10774	1.0
201.00581	1.4
205.05382	5.1
216.09650	1.0
218.48938	1.1
223.06416	12.0
233.16414	5.2
234.16930	1.0
241.07445	4.1
261.15939	1.8
265.07416	8.9
271.08188	1.7
283.08472	17.2
289.09052	2.3
295.11490	8.8
301.09436	1.9
307.08136	1.1
345.03040	1.2
363.04022	5.3
427.13452	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	426.2613
Annotation	Lythranidine
Peak:m/z	Relative Intensity
51.15142	0.7
53.00244	0.9
55.05438	4.6
57.03366	6.8
57.07011	38.4
62.05721	0.9
62.06018	22.8
66.92692	0.6
67.05430	7.9
69.06987	7.4
71.08190	1.3
71.08549	28.0
73.00578	0.9
81.06976	9.3
81.22919	0.8
83.08530	2.9
85.10107	12.5
93.06950	1.1
95.08519	16.0
97.10113	1.3
98.98405	8.0
105.06975	0.8
109.10095	8.0
111.01273	0.8
123.11601	2.9
137.13177	0.9
155.00984	7.9
211.20511	1.6
216.06299	1.2
243.94482	1.1
254.24728	14.9
285.24179	100.0
286.24472	4.3
286.35037	0.8
365.20541	6.0
401.75983	0.9
408.24884	4.6
426.25967	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	427.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	2.3
55.05450	1.9
57.03354	2.9
60.01462	2.1
62.06008	2.5
64.33862	2.1
67.05405	5.4
69.03346	3.8
69.06984	3.0
70.06505	42.6
71.04903	2.4
72.08069	36.1
79.05420	2.2
81.03337	5.1
81.06972	12.2
84.04422	9.9
84.08054	10.9
85.02831	4.8
86.09618	16.9
88.02126	2.7
91.05389	9.5
95.08527	5.0
99.04425	3.7
100.28246	2.2
102.05458	2.6
103.03874	5.9
105.06947	5.0
107.08507	3.5
109.10131	4.3
110.07121	21.8
116.07066	3.5
118.08570	12.2
119.08490	3.5
120.08070	4.9
121.06444	6.1
124.03886	2.5
124.99925	3.1
127.03867	5.7
133.10101	5.0
136.07498	2.4
156.07692	3.1
179.03358	15.6
184.07292	12.3
201.10606	3.5
205.05141	2.9
211.13329	3.0
223.06384	3.6
245.23813	2.7
249.17899	2.6
265.07187	3.8
283.08456	23.2
309.84836	3.0
427.07938	4.6
427.13504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1373
Annotation	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
51.76959	1.6
51.87752	1.4
56.96503	4.2
58.17823	1.6
66.34444	1.4
69.03361	2.7
70.06499	2.3
71.04914	2.4
80.32594	1.6
84.08064	2.1
85.02824	4.4
87.04380	1.8
91.05389	7.9
98.97525	3.5
105.06976	14.4
105.43429	1.9
116.98576	1.8
119.04876	12.7
119.08521	2.0
120.05238	3.1
121.06418	3.4
127.03857	3.4
133.10103	15.2
140.84102	1.7
146.07179	2.9
147.04391	56.1
148.04755	13.6
153.87802	2.0
161.09563	7.2
169.12195	2.0
211.06396	8.4
223.06384	18.6
229.14297	2.1
237.02798	2.2
241.07353	9.2
247.06320	3.1
265.07373	7.7
283.08447	12.4
305.38782	2.0
362.23663	1.9
367.10468	11.3
427.13226	100.0
428.13507	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04969	0.4
56.38288	0.1
56.96507	1.6
57.04501	0.2
60.04448	1.0
67.05419	0.2
67.12883	0.1
69.03338	0.7
69.99748	0.1
70.02867	0.7
70.06512	1.6
71.04906	0.7
71.39712	0.1
74.02342	0.3
75.56725	0.2
81.03327	0.4
81.06960	0.2
82.04781	0.1
84.04420	2.9
84.08065	0.3
85.02833	1.5
86.09624	2.9
87.05509	0.9
87.48151	0.2
88.03918	1.9
91.05381	0.4
94.03979	1.2
97.02805	1.1
98.97514	0.7
99.04372	0.7
101.07084	0.4
103.03880	1.5
103.05392	0.3
109.02869	0.3
110.07107	0.2
112.15918	0.2
115.03883	0.2
116.98575	0.8
119.04871	1.2
120.05221	0.2
120.08056	6.9
121.06447	0.3
121.08395	1.2
123.06626	1.1
127.03876	2.7
128.04152	0.2
129.06584	0.2
133.05141	0.3
133.06076	1.2
133.10057	0.3
134.99585	0.4
136.07549	0.2
145.04950	0.4
147.04388	5.0
148.04710	1.9
150.07726	100.0
151.08092	0.9
156.25439	0.2
161.01164	0.3
163.06020	0.3
178.08611	1.8
179.02202	0.2
179.08946	0.8
196.07454	0.2
198.08725	0.2
201.00662	0.8
205.05330	2.0
211.06378	0.2
223.06390	6.3
233.16444	1.1
239.09375	0.2
241.07474	1.4
247.06366	0.3
261.15903	0.3
265.07434	4.1
271.08179	0.3
282.12125	0.3
283.08475	8.1
284.08942	0.4
295.11444	11.4
301.09531	1.3
307.08395	0.9
325.09641	0.3
345.02933	0.2
361.94864	0.2
363.04141	3.8
367.10410	0.3
381.05133	0.8
427.13611	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86292	0.5
55.05438	1.0
56.96495	0.9
57.03366	0.9
67.05428	1.0
69.03342	3.5
70.06509	8.3
71.04902	2.8
72.08063	1.3
76.10205	0.6
81.03329	1.2
83.05992	0.6
84.04424	3.2
84.08067	2.5
85.02825	10.9
86.09660	0.6
88.03926	1.1
91.05376	2.6
91.43510	0.6
93.06963	1.5
95.04868	0.8
95.06008	0.7
95.08555	0.8
97.02808	3.7
99.03789	0.7
99.04388	4.5
101.09589	1.1
103.03873	5.8
105.06962	3.0
109.02836	2.5
109.06480	1.1
110.07139	1.4
111.04396	0.7
119.04902	3.0
119.08508	1.0
120.05240	0.7
120.08093	2.6
121.06491	0.6
124.57986	0.7
127.03867	7.2
131.08510	0.7
134.99551	0.8
135.08018	1.1
145.04935	3.2
145.10139	1.2
147.04366	6.9
147.08034	0.8
148.04738	1.5
150.07748	1.0
159.05013	0.6
161.09601	0.6
163.06010	1.0
169.07596	3.0
175.07558	0.9
187.11104	0.7
190.45128	0.6
196.47668	0.6
203.10579	0.9
219.01889	0.8
219.47655	0.6
223.06316	1.3
223.08211	1.4
247.13217	1.4
265.10233	0.8
265.14291	4.0
331.71890	0.7
367.10583	1.2
378.16837	0.6
402.18201	0.6
409.14520	3.9
411.71762	0.6
427.15604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1962
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
50.48117	1.7
53.03884	3.7
55.05448	4.9
56.96507	3.1
60.86046	1.9
61.02855	2.8
67.05431	16.2
69.03352	32.1
69.06984	3.0
70.06517	21.2
71.04905	9.0
79.05402	5.3
81.03346	12.4
81.06973	8.5
83.04888	4.1
84.04437	13.1
84.08084	3.6
85.02821	30.0
91.05421	33.7
93.03371	2.8
93.06963	22.9
95.04901	30.4
95.08561	8.6
97.02827	12.4
97.06441	2.7
98.97535	4.8
99.04360	2.4
102.05456	2.7
103.03832	2.1
103.05407	4.0
105.06988	35.1
107.04922	3.4
107.08515	15.3
109.02852	5.6
109.06465	19.4
109.10155	2.9
110.07103	5.2
110.20563	3.6
111.04375	16.2
111.08096	3.0
113.05975	9.0
116.06149	2.5
117.06946	5.1
119.04924	5.2
119.08533	41.6
120.02567	2.5
120.08089	12.3
121.02828	3.2
121.06493	18.1
121.10111	3.9
123.08047	11.1
127.03909	4.2
129.06961	10.3
129.10146	2.6
130.07776	2.5
131.08536	18.6
133.10117	14.7
135.08037	34.4
137.09608	3.3
141.06915	2.7
142.07680	6.1
143.08601	8.7
144.05618	2.2
144.09354	2.2
144.29430	2.2
145.06442	9.9
145.10109	17.3
147.04407	21.0
147.08051	15.0
147.11716	11.5
148.04732	4.2
149.09581	2.5
154.07806	2.5
155.08577	3.1
156.09315	2.6
157.10086	11.8
158.07246	11.3
159.08003	30.7
159.11716	19.7
161.09567	22.0
165.09074	8.6
167.08707	2.7
168.09311	5.0
171.11681	3.9
172.08730	16.1
173.09624	9.1
173.13278	8.3
175.07512	36.6
175.11131	17.1
183.11682	9.4
185.09558	3.5
187.11186	26.4
189.09068	3.0
189.12703	5.4
193.08485	4.9
193.10146	3.2
196.08965	2.9
199.11191	11.4
201.12817	15.7
203.10638	18.9
211.11194	5.3
217.12219	9.4
219.13664	2.6
229.12187	12.3
235.13242	2.7
237.26549	2.4
247.13264	31.9
255.09894	2.4
259.47482	2.5
265.14288	100.0
283.08405	2.7
339.11212	3.5
373.14011	2.5
391.52258	2.5
424.10577	2.2
427.15726	73.6
428.15506	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	427.1959
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
53.03878	2.6
53.23217	1.4
55.05446	11.8
57.03369	8.5
60.04846	1.5
61.02847	3.4
65.03878	1.7
67.05424	16.0
69.03352	30.8
69.27007	1.7
70.06503	8.1
71.04906	2.2
74.20718	1.6
78.97012	1.4
79.05396	11.0
81.03338	4.2
81.06971	8.9
83.04900	6.5
84.08073	2.1
85.02828	31.6
87.91708	1.8
91.05405	22.9
93.03316	2.5
93.06959	20.8
95.04890	22.7
95.08533	11.7
97.02839	15.5
97.06462	7.4
99.04383	9.2
103.03883	3.4
105.06975	35.1
107.04897	2.1
107.08524	10.3
109.02826	8.0
109.06458	20.9
109.10103	3.3
111.04394	18.5
111.08029	3.7
113.05964	2.3
114.52518	1.8
117.06970	9.3
119.04871	7.3
119.07678	1.9
119.08528	50.1
120.08033	3.0
121.02812	3.7
121.06445	28.2
121.10074	7.9
123.08026	16.0
125.05876	1.7
127.03877	3.5
128.06163	3.9
129.06958	6.8
130.07677	2.5
131.08546	23.5
133.06479	3.6
133.10069	13.0
135.08011	40.2
137.05986	2.0
137.09590	10.9
139.07507	2.4
141.06960	6.9
142.07738	3.7
143.08553	8.3
144.09314	3.0
145.04936	1.9
145.06445	8.7
145.10107	15.1
146.07224	2.2
147.04424	17.7
147.08012	26.8
147.11650	7.7
149.09602	3.8
155.08559	3.0
156.09311	3.0
157.10118	14.1
158.07272	13.9
159.08034	18.9
159.11635	20.1
161.09586	24.4
165.09096	16.9
168.09283	6.9
169.10101	2.0
171.08020	3.9
171.11632	3.4
172.08818	16.8
173.09563	13.5
173.13223	9.8
175.07487	37.6
175.11067	17.6
181.10124	1.9
183.11688	7.7
185.09561	2.2
186.10382	2.5
187.11104	23.1
189.09085	3.3
189.12657	3.9
191.06848	1.7
196.08807	8.1
199.11133	7.6
201.12709	18.3
203.10597	12.7
205.12207	1.9
211.11079	8.8
217.12207	10.9
219.13885	4.0
229.12225	14.1
234.25032	1.9
235.13197	2.8
247.13197	32.9
265.14294	100.0
266.14890	1.7
287.50644	1.7
307.03708	1.8
321.10220	3.3
339.11029	3.8
427.15686	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43357	1.6
61.67641	1.4
95.08582	1.9
121.53545	1.5
128.05093	1.6
162.45065	1.6
162.80284	1.6
178.10493	2.0
247.08511	1.7
269.16583	1.9
367.17825	7.3
427.26596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18772	4.2
52.94292	4.2
55.01783	4.7
55.05455	57.3
57.03364	4.9
57.07001	29.2
59.04936	4.1
61.71300	3.9
64.23099	4.4
67.05437	68.6
67.15981	4.4
69.03322	7.5
69.06984	61.8
69.33720	4.5
71.04910	10.8
71.08535	7.5
75.01998	4.6
79.05396	19.6
81.03348	6.1
81.06975	55.3
83.08546	41.2
84.79690	4.8
85.02810	8.6
86.09623	18.4
88.38783	4.7
93.06979	40.1
95.08537	54.5
97.02823	100.0
97.10083	24.6
99.04401	36.4
106.95643	4.7
107.08537	18.6
109.02793	4.7
109.10098	11.1
111.11594	6.1
121.10070	10.1
124.99987	9.8
125.09554	5.3
127.03867	10.0
135.11635	10.3
145.04933	8.6
175.11174	18.8
184.07243	11.3
226.31696	4.9
265.25195	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	71.6
57.07006	24.4
60.32053	5.9
66.59116	5.9
67.05424	79.2
69.03309	11.6
69.06986	100.0
71.04906	8.6
71.08528	10.8
72.96437	6.3
78.83977	7.2
79.05395	47.2
81.03358	9.3
81.06968	83.3
83.08554	61.3
85.10089	7.2
86.09602	45.4
91.05415	9.1
93.06954	35.4
93.19053	7.9
95.08515	81.7
97.02820	87.4
97.10110	14.9
99.04393	36.9
103.13239	7.0
104.99223	13.5
105.06969	41.9
107.08512	12.6
109.10090	30.2
111.11679	17.5
119.08520	9.3
120.00827	8.2
121.10095	40.2
124.99955	15.9
127.03880	14.9
135.11639	35.4
146.09941	6.6
184.07314	31.3
265.25192	39.7
361.27222	17.8
392.23270	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	428.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05460	6.2
56.04968	1.3
59.57468	0.7
60.08099	19.5
63.06375	0.6
67.05425	0.8
67.96387	0.5
69.03346	0.9
69.06981	0.7
70.06505	6.7
71.07292	7.0
72.08054	0.8
74.02135	0.6
81.03323	1.0
81.06962	1.2
83.08527	3.5
84.08055	2.8
85.02818	1.3
86.09629	66.9
97.02853	1.1
97.10108	6.8
98.98386	3.6
104.10682	100.0
105.11012	0.9
107.08544	1.2
120.08048	7.1
124.99969	37.9
125.09579	5.5
131.04880	0.7
143.01108	0.9
144.15005	0.6
159.58322	0.6
164.03397	2.5
181.80612	0.7
184.07312	89.0
189.11156	1.4
197.06108	0.7
203.05301	1.0
224.05547	1.3
245.13817	2.7
249.10916	1.6
410.19342	5.9
420.26208	0.7
428.20496	29.6
428.25992	4.8
429.16864	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	428.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00239	0.7
53.03880	4.5
55.01802	1.6
56.96494	1.0
57.03357	3.4
61.02845	3.0
63.49187	0.6
67.05414	0.8
69.03349	18.9
69.06985	16.2
70.06511	11.8
71.04909	6.1
73.02816	2.9
76.56042	0.8
79.05398	1.2
81.03338	20.8
83.08554	0.8
84.04420	2.9
84.08060	3.1
85.02828	77.7
86.09626	1.5
87.04380	1.1
87.08028	14.4
91.05387	3.1
93.06977	1.1
97.02825	23.6
98.97508	3.1
99.04386	48.6
100.04646	1.0
103.03877	100.0
105.03332	1.1
105.06959	1.6
105.77866	0.8
107.04888	1.8
109.02838	17.2
110.07067	0.7
115.03908	0.9
115.07499	4.9
116.98571	2.7
119.04884	3.8
120.08009	0.9
127.03877	93.1
129.10144	0.8
134.99586	1.0
145.04947	27.1
147.04391	6.8
147.11650	1.2
149.01198	3.4
163.03877	15.2
163.05977	17.4
169.04941	0.9
177.00708	1.2
178.05632	1.2
187.05983	4.1
195.10187	0.7
205.07033	1.5
213.11127	0.9
231.12366	1.2
249.13243	3.4
267.09293	0.9
271.08115	3.8
273.13248	12.6
285.10156	1.3
289.09122	1.8
291.13870	1.2
307.10312	6.1
375.16229	3.3
393.17361	3.7
428.13797	0.8
429.15002	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3157
Annotation	Tortifolisine
Peak:m/z	Relative Intensity
52.43616	0.7
55.05471	1.0
67.05424	5.1
69.06974	0.8
71.86167	0.7
73.08818	0.8
79.05396	1.5
80.12145	0.8
81.06955	4.0
86.09620	1.0
91.05361	0.8
92.10905	1.9
93.06979	1.5
95.08528	4.5
103.05378	4.9
107.04877	0.9
107.87536	0.7
109.47620	0.8
119.07777	1.0
120.08059	100.0
124.99986	0.9
154.68542	0.9
166.08601	19.3
168.25534	0.9
173.24019	0.8
184.07275	3.2
208.99135	0.8
243.63647	0.9
306.35165	1.1
312.68796	0.9
319.73312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	0.6
54.81730	0.5
55.01813	0.3
55.05447	1.9
57.03368	0.4
57.07011	0.6
57.47435	0.3
59.06034	0.4
67.05436	2.7
69.06991	0.9
71.03264	0.4
71.08532	3.1
79.05392	1.7
81.06976	3.6
83.24269	0.4
91.05415	5.0
93.06968	9.8
95.04891	3.3
95.08524	3.6
97.06470	0.7
99.08002	0.7
103.05407	5.6
105.06980	0.5
107.08521	1.8
109.06453	3.6
109.10105	0.9
114.75153	0.4
119.08536	0.7
121.06453	100.0
122.06826	0.7
124.99960	0.4
133.10115	0.8
138.09117	11.4
149.13159	0.5
149.82880	0.4
165.12740	4.7
165.62363	0.5
184.07269	0.8
235.16721	0.7
291.23126	3.1
330.24155	1.5
406.97192	0.5
428.31546	16.5
429.31659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76541	0.7
52.80247	0.8
54.82046	0.8
59.39171	0.7
69.07009	0.8
70.83165	0.8
77.06524	0.8
85.47314	0.9
86.09584	0.8
92.10301	1.0
137.05972	14.4
149.02373	1.9
193.05045	0.9
199.04527	0.9
237.06036	3.4
259.09802	1.1
281.90790	0.9
388.19516	1.6
395.55643	1.2
428.33405	100.0
429.11694	1.5
429.33710	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	429.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02321	1.1
51.33034	1.1
53.03875	7.2
54.27055	1.1
55.01794	4.6
55.05446	14.2
57.03149	0.8
57.03371	11.3
57.07010	1.2
59.34735	1.0
61.02856	1.4
64.58195	0.9
67.05412	5.6
69.03345	22.1
69.06985	2.0
70.06523	2.2
71.04893	4.5
73.02823	2.4
74.35717	1.0
79.05402	21.5
81.03339	10.6
81.06976	14.9
83.04887	2.6
83.77161	1.1
84.08041	1.5
85.02823	23.5
85.10419	1.9
87.00758	11.6
91.05402	27.8
92.10198	2.8
93.06969	100.0
95.04907	13.1
95.08511	6.6
97.02814	7.7
97.06457	2.7
99.04371	5.1
103.05352	1.4
105.01800	6.7
105.06973	21.0
107.04889	1.9
107.07870	2.3
107.08533	46.2
107.40943	1.3
109.02832	8.5
109.06454	6.3
109.10088	5.3
116.98534	1.7
117.06952	7.0
119.08516	8.4
121.06457	47.4
121.10091	63.2
123.08009	6.3
127.03864	11.0
130.07733	5.5
132.89502	1.2
135.08029	1.5
135.11653	24.0
137.05858	1.3
139.07550	2.1
139.11118	1.7
143.08473	2.3
145.04901	1.8
145.10083	32.4
153.12665	1.4
159.02840	2.2
160.13051	1.1
163.11130	41.5
164.28664	1.2
174.18489	21.1
175.18884	2.0
181.12184	46.7
255.06351	1.4
363.22635	1.2
375.06442	1.7
429.16870	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	429.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85435	0.4
53.00247	0.7
53.03884	0.4
55.01812	0.9
55.05447	11.3
56.96497	2.4
57.07010	1.9
60.08088	0.4
67.05416	1.7
69.03353	1.0
69.06985	100.0
70.06502	4.3
70.07314	0.5
72.08080	0.5
73.02819	0.8
74.98965	0.8
76.56178	0.5
81.03358	0.5
83.08543	1.0
84.04440	0.9
84.08015	0.5
85.02831	2.3
86.09637	5.1
87.09949	0.9
91.05419	0.7
93.00032	2.4
97.02843	1.0
98.97528	1.8
111.11671	7.4
116.98550	0.5
120.99520	8.1
121.02845	0.5
124.99949	3.2
127.03802	0.5
139.00607	0.6
151.03818	0.8
161.09909	0.8
167.68102	0.4
184.07304	7.2
185.07724	0.7
249.07896	0.4
249.08862	0.6
249.11502	11.7
267.09149	4.7
267.12631	25.4
285.10077	7.7
345.78156	0.5
429.14273	9.7
430.14764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	3.1
55.05433	1.7
57.03360	1.1
57.07007	1.4
59.04948	0.7
60.42538	0.7
61.02850	1.2
63.13605	0.8
64.05116	0.6
64.46112	0.7
67.05427	6.9
69.03342	14.8
69.06978	1.4
70.06526	1.1
71.04901	1.5
73.02825	0.8
79.05396	3.2
81.03329	16.8
81.06973	16.7
83.04905	1.0
84.08085	0.9
85.02825	100.0
85.06461	0.9
86.09639	1.4
86.79051	0.8
88.29889	0.7
91.05414	3.2
92.63842	0.9
93.06962	5.6
95.04890	1.0
95.08523	12.0
97.02813	5.9
99.04395	1.3
102.03649	1.0
105.06987	9.6
107.08527	4.4
109.02820	12.5
109.06450	3.7
109.10088	8.5
110.83463	0.8
114.74758	0.9
117.06993	1.2
119.08527	11.5
120.08051	3.5
121.10087	8.1
123.08010	4.6
123.11651	67.9
125.05937	4.6
127.03868	9.5
131.08501	1.9
133.06419	0.9
133.10117	1.4
135.11633	0.8
143.08514	0.8
145.04979	1.8
145.10155	3.3
147.07999	1.5
147.11667	9.4
149.07454	5.8
149.09595	9.9
151.03873	10.9
151.07523	1.7
163.11176	1.0
165.12743	1.0
167.10698	0.9
171.11729	1.2
187.05986	3.4
189.12714	8.8
205.07054	1.9
207.13760	28.6
225.14803	20.5
261.12683	1.4
299.10394	0.9
389.55261	0.9
429.17047	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	429.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	1.3
54.02321	0.5
55.01820	1.0
55.05457	4.8
55.05672	0.6
56.31648	0.6
57.03378	2.5
57.07001	3.3
59.04958	0.7
61.02847	2.7
65.03877	0.7
67.05428	26.1
69.03347	14.8
69.06983	2.6
70.06515	1.4
71.04909	2.8
72.08066	0.7
73.02847	1.1
79.05398	4.0
81.03336	10.1
81.06976	5.0
83.04920	2.3
85.02827	23.1
85.06464	13.0
91.05400	4.4
93.06980	11.4
95.04887	3.8
95.08532	100.0
96.08854	0.7
97.02807	6.8
99.04389	3.2
104.35223	0.7
105.03350	0.9
105.06973	8.6
107.04911	0.7
107.08539	11.2
109.02817	8.9
109.06448	5.0
109.10104	2.8
113.05944	5.3
117.07013	0.8
119.08533	15.6
121.06454	2.7
121.10092	10.6
123.08018	28.1
123.11621	1.3
125.09540	0.9
127.03871	13.8
131.08543	1.6
133.06482	0.9
133.10118	3.1
135.08026	3.6
135.11642	9.8
137.09618	2.7
138.50793	0.6
143.08553	1.1
145.02846	1.3
145.04915	1.2
145.10135	2.4
147.08063	1.6
147.11679	5.1
149.09592	34.8
151.03905	2.7
151.07561	1.0
151.14778	1.1
156.09352	0.9
161.09578	1.0
161.13211	7.4
163.11111	7.1
165.12704	4.2
169.04924	0.8
174.10355	1.0
179.14265	1.2
181.12216	4.3
187.05945	4.8
189.12691	11.5
200.19283	0.8
205.07088	8.0
207.13765	34.2
329.90860	0.7
385.13870	0.9
429.17368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	0.8
57.06999	2.5
59.04025	0.5
61.46386	0.6
67.05419	0.7
79.05404	1.1
81.06948	1.0
83.64804	0.7
91.05396	5.3
105.06980	5.8
107.08553	1.1
109.10088	3.3
111.96457	0.6
117.06963	0.9
118.52730	0.7
119.08535	20.8
121.06421	2.8
121.10045	1.0
122.07213	1.0
131.08514	0.9
133.10074	9.8
134.10852	1.5
135.07999	6.2
136.05188	1.1
137.05925	3.2
137.09589	24.4
147.09184	1.1
149.09598	5.3
149.13185	7.1
151.11156	3.0
159.11629	1.0
161.09583	16.0
165.09044	3.2
177.12706	100.0
179.10634	6.7
180.11400	2.9
207.90132	0.7
239.10489	1.0
281.15280	1.0
284.57941	0.7
356.23380	0.7
429.31613	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	430.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14877	0.1
65.05538	0.1
69.03345	0.5
69.07001	0.9
70.06508	0.9
73.02840	0.1
79.05398	1.5
80.13184	0.1
81.03336	0.6
82.82954	0.1
83.85399	0.1
84.04436	0.2
84.08081	0.1
85.02824	1.3
86.09631	0.3
95.04888	0.5
96.04417	0.2
97.02827	0.5
97.21918	0.1
99.04374	0.7
103.03880	0.5
106.06499	100.0
107.04890	0.2
107.06830	1.9
109.02805	0.3
110.07101	0.2
118.06487	0.7
119.04900	0.2
124.07558	0.3
127.03890	0.8
132.04482	0.2
136.07654	0.1
144.08075	0.1
145.04932	0.2
146.06012	0.1
147.04245	0.2
159.09074	0.1
184.07375	0.2
188.07031	0.2
279.36618	0.1
322.40765	0.1
368.74338	0.1
389.42130	0.1
430.16507	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	430.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	10.9
55.01801	12.8
55.12887	0.9
57.03374	8.8
60.04413	0.9
61.02853	7.7
68.99694	5.6
69.03348	39.9
71.04881	6.6
73.02834	11.1
74.26361	0.9
81.03336	40.7
85.02826	100.0
87.00748	40.9
87.01144	0.7
87.01291	1.0
90.04327	1.0
91.03884	3.1
91.64082	0.9
92.10883	1.2
96.80399	0.9
97.02229	1.5
97.02821	32.5
97.03448	1.4
99.04386	17.2
103.03860	1.1
105.01808	22.0
108.04398	6.1
109.02823	33.8
115.03911	1.0
117.01776	6.3
126.05463	4.5
127.03867	50.1
129.01778	5.5
145.04933	20.7
147.02852	2.0
159.02863	22.9
177.03809	1.2
189.09087	1.2
213.03838	1.9
231.04935	10.5
248.07545	3.9
249.05876	1.0
273.11133	1.5
307.66736	1.0
328.36847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24713	0.4
61.15388	0.4
68.01298	0.6
69.03350	0.7
69.06986	0.7
70.06484	0.5
74.02345	0.9
75.92181	0.4
84.08084	0.4
85.02798	0.4
86.09625	23.6
95.08518	0.5
99.05508	1.8
100.11189	0.5
115.05385	5.0
117.05724	0.5
117.06897	0.5
125.03431	0.8
130.06491	100.0
131.06830	2.1
132.10153	3.1
142.06508	13.8
143.07286	4.1
144.08061	11.5
145.65735	0.5
154.51013	0.5
155.07268	0.9
156.08087	2.4
157.07603	2.7
158.08350	0.7
160.07512	3.5
167.06006	2.3
168.08081	0.8
169.07549	1.6
169.08870	0.7
170.05969	16.3
171.06702	1.9
176.29819	0.4
183.09029	4.5
185.07060	73.0
186.07408	2.4
193.07520	0.7
198.10898	0.8
198.12737	25.9
208.06262	0.5
209.07155	0.5
210.10204	2.1
211.05099	0.5
211.08632	4.1
211.10394	0.5
213.06473	0.7
226.09750	0.6
236.08223	1.8
238.09714	5.1
238.11884	1.5
254.09171	31.7
282.08679	7.8
298.15414	0.5
301.15363	3.5
343.20911	0.5
367.17542	11.5
368.17340	0.5
395.17026	2.8
413.18088	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	431.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81987	1.1
56.04973	5.3
69.03355	4.1
70.06512	84.8
71.06836	1.1
72.08083	1.5
80.04929	1.0
81.03329	1.8
82.27809	1.0
84.04431	60.7
84.04936	2.1
84.08080	6.9
85.02824	8.6
86.09644	6.0
87.00723	1.7
91.05415	1.9
95.04897	2.1
97.02838	4.8
97.03957	18.8
102.05501	11.1
105.06978	1.6
108.44723	1.1
109.51572	1.1
111.05506	14.3
114.05501	2.0
116.07047	100.0
117.05732	1.8
118.06457	1.3
120.08057	4.5
125.07079	10.1
127.03888	1.2
129.06577	2.0
129.10286	1.2
130.06502	29.3
132.08061	58.8
132.77156	1.1
139.05000	44.6
142.06503	4.2
144.08041	5.1
146.05904	1.0
153.06595	6.5
153.12804	1.0
157.06070	73.8
158.08377	22.7
159.09152	72.0
160.07542	1.9
169.07582	16.6
170.05963	18.5
180.08052	6.1
187.08650	21.7
225.10181	16.3
243.11311	8.1
252.11208	2.6
253.09666	5.1
270.12271	20.4
280.10788	7.8
285.12366	1.3
288.13394	32.1
298.11807	26.2
316.12860	18.2
413.17889	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	431.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.6
53.15199	0.6
55.05462	1.0
58.97413	0.6
63.87990	0.7
64.51909	0.6
69.03339	1.6
79.05406	4.1
81.03332	1.1
83.04901	1.7
85.15968	0.7
86.09634	1.2
91.05434	1.4
92.64327	0.7
94.45393	0.7
95.08506	1.1
105.06979	12.5
107.08544	1.5
111.04442	1.0
119.08543	1.3
123.08002	7.9
133.06467	100.0
134.06801	0.8
149.02319	1.7
151.07524	0.9
184.07346	0.8
184.74779	0.7
193.05130	0.8
221.08087	0.9
279.12247	1.3
297.13229	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	432.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	5.4
55.01811	3.1
55.05434	1.1
56.96521	0.6
57.03376	5.3
61.02859	8.4
61.68512	0.7
65.03871	3.3
67.05418	1.5
69.03010	1.2
69.03355	25.5
70.06519	7.5
71.04910	8.2
72.08067	1.2
73.02831	3.3
79.05421	1.5
81.03340	26.7
81.06968	0.9
84.04416	1.6
84.08052	1.1
85.02829	76.4
86.09636	3.3
91.03888	1.8
91.05412	43.4
91.55864	0.7
91.73781	0.8
92.05737	0.9
92.10278	1.0
93.07019	0.8
95.04884	1.5
97.02225	1.5
97.02826	34.2
98.06055	0.8
99.04388	52.4
103.03882	76.5
107.04895	10.1
107.08553	1.1
109.02837	14.3
110.07103	0.8
119.04926	0.9
120.08082	0.8
121.02833	6.4
124.03938	4.8
127.03879	100.0
128.49840	0.7
129.06978	0.8
135.04358	3.5
137.02339	4.3
145.04945	35.0
146.99675	1.1
147.04446	1.0
163.05989	37.6
167.07002	5.0
168.79111	0.8
169.06502	1.3
171.06468	1.3
178.04996	4.4
181.04926	25.1
181.06310	1.6
183.02870	0.9
187.05997	0.9
197.06017	1.8
205.07103	1.3
215.07124	1.2
253.06973	0.9
253.13885	0.8
271.05920	87.7
281.08051	1.7
283.05930	1.0
285.07675	0.9
289.09125	5.2
302.79901	0.9
307.10242	8.5
313.07022	1.0
443.73779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09347	0.1
63.84682	0.1
67.64360	0.1
69.06979	0.7
72.71976	0.1
74.08133	0.1
79.05414	0.7
81.80211	0.2
91.05415	0.3
93.06956	1.0
95.04993	0.2
103.05408	5.3
107.04911	2.0
117.09982	0.2
120.08058	100.0
121.08377	1.3
131.04906	2.6
149.05963	1.1
166.08600	22.7
220.21567	0.2
254.58061	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	432.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47500	0.4
55.01792	0.9
55.05436	1.1
57.03385	3.9
60.04812	0.5
61.02839	1.2
63.28316	0.5
69.03351	11.8
71.04907	0.9
79.05401	1.2
81.03335	2.1
81.06973	0.5
82.42390	0.5
82.52711	0.5
83.04892	4.2
85.02810	4.3
91.05406	9.1
99.04359	0.8
104.06186	0.6
105.06987	4.1
107.08536	45.6
108.08814	0.7
109.06464	2.7
110.28419	0.6
111.04363	2.7
117.06939	2.1
119.08531	100.0
120.08828	0.9
129.05434	2.2
133.06465	4.2
135.08011	29.4
145.10060	0.7
147.06503	1.2
174.75523	0.5
184.07381	0.6
281.13739	1.9
415.21112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	2.3
54.81546	0.5
55.01808	0.5
55.05444	3.5
57.03366	0.6
61.02858	0.8
67.05424	2.5
69.03352	7.9
69.06985	11.8
71.04890	0.7
79.05395	1.1
81.03335	11.2
81.06980	4.0
83.08534	2.6
85.02823	10.8
91.05387	4.2
93.07004	1.7
95.08547	6.7
97.02834	4.8
97.03390	0.5
99.04391	2.6
103.03857	1.4
105.06979	12.1
107.08554	5.3
109.02837	5.1
109.10135	2.7
117.07015	1.0
119.08543	53.8
121.10102	4.5
127.03884	29.1
131.08525	1.4
133.10097	46.0
135.11670	3.0
145.04974	0.8
145.10078	4.1
147.11688	8.6
159.11775	0.8
160.12411	2.5
173.13220	2.6
175.14793	100.0
176.15085	1.3
177.16325	1.1
187.05972	2.9
193.15828	3.2
205.07045	2.5
272.54016	0.6
363.03903	0.9
369.76791	0.6
371.57428	0.8
399.48907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87708	0.7
82.06503	6.0
101.19727	0.8
110.06055	1.1
124.75294	0.7
138.05479	70.8
140.07082	0.9
152.69237	0.7
157.32594	0.8
157.98343	0.8
166.04964	100.0
178.45164	0.7
205.41838	0.8
233.37175	0.7
276.69397	0.8
432.34567	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	433.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	0.1
53.03880	0.7
53.12943	0.1
54.04646	0.2
54.58672	0.1
55.01801	0.6
55.05463	0.1
57.03365	0.1
65.03867	10.3
67.01774	0.2
67.05433	4.4
68.99693	0.2
69.03354	1.3
69.06992	0.2
70.06496	0.1
73.02815	0.1
76.38958	0.1
79.05402	0.7
80.01150	0.1
81.03327	0.7
82.00481	0.2
82.03658	0.2
82.04121	4.4
85.02830	7.2
86.35569	0.1
86.94166	0.1
88.83025	0.1
92.02592	0.1
92.10939	0.2
93.03328	2.0
95.01266	0.1
95.04899	2.5
97.02834	0.4
97.06464	3.6
99.04388	0.3
101.02288	0.2
103.03892	0.3
105.04462	0.2
107.99085	0.1
108.02036	2.0
109.02818	0.2
109.10104	0.2
110.03616	5.6
111.03675	0.1
111.04401	3.1
121.02818	0.2
121.03951	0.2
123.00748	0.9
123.04362	0.1
124.03851	0.1
125.02330	0.1
125.05953	3.4
127.00161	0.2
127.03871	1.6
129.39140	0.1
137.02310	0.3
138.02139	0.2
138.03104	3.3
139.03877	0.5
140.04646	1.5
141.01787	0.2
142.02592	2.6
153.01794	0.2
153.05463	1.5
155.06992	0.3
166.02557	0.2
170.02077	0.2
171.06494	12.1
178.04942	0.2
181.04929	100.0
182.05278	1.9
199.06023	0.3
217.03433	0.2
271.05942	1.1
283.05917	0.1
313.07111	0.2
349.75433	0.1
389.79230	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.6
55.01803	0.6
55.05445	0.6
55.86105	0.2
56.23299	0.2
56.96498	0.5
57.03371	0.4
59.18451	0.3
60.12859	0.3
61.02843	0.6
62.55761	0.2
65.03867	10.1
67.05429	5.1
67.25519	0.2
68.99699	0.4
69.03349	2.6
69.06987	0.5
70.06496	1.4
72.08067	0.3
75.04368	0.2
76.46168	0.2
79.05405	1.3
80.87920	0.3
81.03334	1.9
81.06983	0.4
82.04118	4.5
82.44378	0.2
83.04868	0.2
83.08540	0.5
85.02350	0.5
85.02831	9.9
86.09621	1.1
91.05394	2.7
92.10267	0.4
93.03335	1.9
93.06946	0.4
95.04893	2.6
97.02827	2.0
97.06468	3.5
99.04403	2.1
100.11199	2.1
103.03903	1.5
105.04428	0.3
105.06977	0.6
107.04890	5.2
107.08526	0.5
108.02050	2.8
109.02806	1.5
110.03603	5.9
111.04383	3.0
113.91730	0.3
119.04891	1.7
121.02799	0.4
121.04024	0.3
121.06440	0.4
123.00747	1.4
124.86378	0.3
125.05948	4.1
127.03875	25.8
130.06500	6.5
132.08028	0.4
133.10065	0.6
136.07549	5.6
137.02307	0.4
137.07906	0.3
138.03087	3.6
140.04663	1.2
142.02577	2.7
145.02850	1.7
147.04366	0.3
147.11696	0.5
149.02312	2.0
153.01802	6.0
153.05388	1.1
153.64131	0.3
159.04364	0.6
159.09154	1.3
165.12802	0.3
165.51218	0.3
169.06435	0.4
170.02106	0.3
171.06479	10.3
181.04921	100.0
182.05305	2.5
197.05981	1.0
215.06985	4.9
237.08650	0.3
238.99927	0.3
243.06467	3.6
253.04871	1.8
271.05951	53.2
272.06268	1.8
396.87900	0.3
412.64777	1.7
413.14798	0.4
432.35287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Genistin
Peak:m/z	Relative Intensity
51.97653	0.0
54.81434	0.0
65.03857	0.3
67.01776	0.1
68.99704	0.6
69.03341	0.1
69.87646	0.1
81.03335	0.1
83.01228	0.1
84.93849	0.1
85.02806	0.3
86.09624	0.2
89.03844	0.1
91.05404	2.0
95.01279	0.1
95.04883	0.1
97.02776	0.1
105.03310	0.1
107.04887	0.3
109.02816	0.1
110.03645	0.1
111.00737	0.4
111.51323	0.1
115.05363	0.1
117.06937	0.1
119.04884	1.1
121.02811	0.5
127.03857	0.3
128.06190	0.1
129.06944	0.1
131.04910	0.4
131.08499	0.1
133.02756	0.2
133.06416	0.1
135.04387	0.1
137.02318	0.3
141.06966	0.7
145.01707	0.1
145.02823	2.0
145.06419	0.2
147.04366	0.3
147.08002	0.2
149.02310	3.4
152.06163	0.1
153.01797	9.9
153.07059	0.1
154.02188	0.1
157.06470	0.1
159.04367	1.3
159.08006	0.3
165.01822	0.8
169.06439	1.4
171.06468	0.1
173.05919	0.4
175.07457	0.1
177.05447	0.1
181.04922	1.2
181.06403	0.1
183.02856	0.1
183.04312	0.1
185.05965	0.1
187.03850	0.4
187.07457	0.9
191.03438	0.1
197.05942	1.8
198.06549	0.1
200.04678	0.2
201.05383	0.3
211.03807	0.1
213.05406	0.2
215.06993	8.0
216.07323	0.1
219.06418	0.1
225.05444	0.7
226.06227	0.1
227.06985	0.2
228.03999	0.1
229.04750	0.1
242.05614	0.1
243.06464	6.2
253.04904	3.0
270.05145	0.1
271.05945	100.0
272.06274	3.6
388.40952	0.1
433.11398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Galanginin
Peak:m/z	Relative Intensity
51.06886	0.3
53.03883	1.2
55.01810	0.8
55.05438	0.5
57.03363	2.3
61.02831	1.5
65.03862	3.4
67.05412	1.9
67.36123	0.3
68.99706	0.4
69.03352	8.0
69.06983	0.6
69.07346	0.3
70.06494	0.7
71.04890	0.6
73.02829	1.5
79.05396	0.5
81.03343	3.6
81.06963	0.5
82.04108	0.8
83.04918	0.5
84.04400	0.4
84.08062	0.5
85.02828	21.4
86.09615	2.1
87.04391	0.6
91.05409	2.5
95.04886	0.5
97.02828	5.1
97.06460	0.9
99.04365	2.5
103.03868	1.6
107.04888	0.5
107.08530	0.5
108.02060	0.4
109.02826	2.5
110.03608	1.5
111.00751	0.4
111.04360	0.6
114.09137	0.4
116.98522	0.4
119.04900	1.5
120.04411	0.7
121.02775	0.4
125.05951	0.5
127.03877	22.2
129.10161	0.3
130.06476	1.8
132.08043	0.7
138.03084	0.5
140.07021	0.4
141.07004	0.7
142.02592	0.7
145.02838	2.5
145.04912	0.5
146.05977	0.6
149.02277	4.2
153.01799	8.9
159.04341	0.6
159.09140	2.0
165.01865	0.8
166.43568	0.4
167.03284	0.4
169.06453	2.0
170.05972	0.7
171.06494	3.9
177.89014	0.3
181.04916	30.2
187.03903	0.5
187.07529	0.7
188.06929	0.7
192.59961	0.4
197.05939	1.6
215.06960	6.5
225.05411	0.4
243.06465	6.9
250.03485	0.3
253.04904	2.9
255.06488	0.6
271.05948	100.0
272.06247	2.4
295.06097	0.5
309.07590	0.5
313.06989	1.6
431.92319	0.4
433.14191	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03901	0.4
56.04961	0.2
56.96521	0.2
57.03379	0.5
60.89905	0.2
61.02564	0.2
61.02856	5.5
64.23877	0.2
65.03858	0.9
67.05419	0.3
69.03352	3.2
70.06512	1.9
71.04903	0.5
71.31296	0.2
72.08067	1.3
72.77119	0.2
73.02823	2.2
73.86000	0.2
79.05395	0.3
79.30664	0.2
81.03342	2.7
84.04424	1.0
84.08072	0.2
85.02341	0.4
85.02827	8.8
86.03151	0.4
91.03876	2.1
91.05403	2.8
91.35118	0.2
92.05727	0.3
93.06960	0.3
97.02829	4.4
97.06448	0.2
99.04393	3.9
101.13834	0.2
103.03886	5.3
104.04250	0.3
105.03357	0.3
107.04890	1.9
109.02822	1.5
110.07051	0.3
111.04372	0.3
121.02823	5.9
121.06501	0.2
124.03906	1.3
127.03883	13.1
128.04222	1.1
133.02805	0.5
133.19801	0.2
135.04428	0.4
137.02307	6.0
137.03290	0.4
141.06943	0.4
145.04951	2.3
146.06085	0.3
147.04379	0.2
148.19118	0.2
149.02319	3.2
160.07559	0.2
163.06001	1.6
167.03352	0.5
169.06458	1.1
171.06525	0.3
173.05917	0.3
178.04982	1.6
181.04930	4.8
181.06410	0.4
187.07500	0.3
188.07034	0.7
197.05966	3.4
199.07642	0.2
205.09715	0.2
215.06949	2.2
225.05424	1.5
242.05765	0.5
243.06383	0.8
253.04971	0.4
255.06433	1.1
271.05957	100.0
272.06250	3.5
308.10370	0.4
372.23306	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Genistin
Peak:m/z	Relative Intensity
53.80015	0.1
65.03869	0.2
66.58292	0.1
68.99704	0.1
71.04884	0.1
77.74583	0.1
80.89957	0.1
81.03326	0.2
85.02818	0.4
86.29914	0.1
91.05392	0.6
93.03325	0.2
97.02807	0.1
105.03304	0.1
107.01255	0.4
115.05391	0.1
117.06935	0.1
119.04881	0.5
121.02811	0.2
125.02280	1.0
127.03883	0.2
129.06912	0.1
133.02820	0.4
134.03517	0.2
135.00725	0.1
137.02283	0.3
141.06981	2.1
145.02814	2.5
145.06470	0.5
149.02321	0.2
153.01791	5.2
153.06989	0.1
159.08006	0.1
159.09204	0.1
165.01785	0.3
169.06436	7.4
173.05920	0.4
177.10071	0.1
181.06400	0.2
187.07510	0.3
197.05937	8.5
198.06357	0.4
215.06984	11.1
216.07306	0.6
225.05421	3.2
226.05849	0.1
227.06970	0.2
243.06480	2.9
253.04895	2.6
271.05939	100.0
272.06281	2.9
323.61581	0.1
434.50024	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Galanginin
Peak:m/z	Relative Intensity
53.03899	0.5
55.01814	0.5
58.50912	0.2
61.02837	0.3
63.56930	0.2
64.33805	0.2
69.03352	2.6
70.06513	3.4
71.04890	0.4
72.08094	0.3
73.02822	0.5
81.03326	3.6
84.04428	2.7
84.08078	0.3
85.02827	5.5
86.09627	0.4
87.63066	0.2
93.06949	0.2
96.04412	0.3
97.02827	3.9
99.04390	4.6
103.03882	4.3
103.61284	0.2
105.03338	1.0
109.02824	2.5
109.10215	0.2
110.07095	0.5
114.42908	0.2
119.04896	0.3
126.05491	1.3
127.03880	74.1
127.70938	0.2
128.04201	0.3
128.31543	0.3
135.04332	0.4
137.02316	11.3
138.05464	1.6
141.06963	2.1
144.06599	0.4
145.04959	1.7
147.04401	2.9
148.04745	1.2
153.06926	0.3
155.04800	0.3
159.08034	0.3
161.02332	1.7
169.06425	2.5
173.05963	0.4
181.05003	0.4
181.06444	1.6
183.04362	0.6
187.05998	0.5
187.07545	0.6
189.05508	0.3
197.05969	5.2
200.04625	0.4
201.05470	1.5
204.08704	1.1
215.07016	10.2
225.05429	12.5
226.05847	0.3
243.06520	1.3
253.04926	7.0
253.07423	0.3
271.05960	100.0
272.06345	2.6
433.16580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1337
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
51.44439	0.1
53.03882	1.2
54.29829	0.1
54.80674	0.1
57.03370	0.2
61.02852	0.2
69.03344	2.5
71.04900	0.7
73.02820	0.4
81.03345	3.4
82.76425	0.2
85.02826	6.3
92.10306	0.3
94.40632	0.2
97.02829	4.3
97.19431	0.2
99.04388	4.9
103.03880	5.1
109.02825	3.2
112.74792	0.2
126.02986	0.2
127.03880	100.0
128.04240	1.0
144.96944	0.2
145.04941	2.2
187.05981	0.4
271.08176	0.3
367.87924	0.2
433.45963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1338
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03885	1.0
54.06902	0.1
54.61434	0.1
54.91063	0.1
55.01809	0.1
55.05434	0.1
56.04950	0.1
57.03361	0.5
61.02850	0.2
65.03867	0.2
67.05416	0.1
69.03346	3.1
69.07008	0.1
70.06505	6.0
71.04916	1.1
71.06836	0.3
72.08067	0.8
73.02819	0.6
73.24757	0.1
79.05421	0.1
81.03336	4.2
81.06959	0.2
83.04887	0.2
84.04420	1.3
84.08066	0.5
85.02827	6.9
86.09624	0.5
87.04403	0.2
92.10959	0.3
92.64005	0.1
95.04894	0.2
97.02223	0.3
97.02823	5.2
97.07576	0.1
99.04382	6.1
102.05474	0.5
103.03872	5.1
107.33357	0.2
109.02825	3.6
110.07117	0.5
111.05546	0.2
112.02100	0.2
113.99052	0.1
114.36710	0.2
115.08644	0.2
116.07027	1.0
116.98558	0.2
117.07400	0.2
118.38772	0.1
120.08048	0.8
127.03873	100.0
128.04227	0.9
130.06494	0.3
132.08090	0.2
133.08354	0.2
139.04990	0.5
144.08023	0.1
145.04953	1.9
151.03766	0.1
155.51648	0.2
157.06100	0.2
159.09077	0.6
159.88538	0.1
160.09575	0.2
163.05981	0.2
171.06485	0.3
181.04924	3.5
183.07661	1.0
187.05988	0.7
229.06718	0.1
271.05914	0.8
271.08405	0.2
296.36346	0.2
433.14081	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1341
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03884	1.4
55.01814	0.4
55.05446	0.7
56.96494	1.9
57.03349	0.3
64.91451	0.3
67.05413	0.5
69.03347	2.8
69.06977	0.8
71.04909	0.8
73.02827	0.3
79.05428	0.4
80.04581	0.3
81.03365	3.1
81.06976	0.5
85.02820	7.6
86.09614	0.5
91.05401	0.3
93.06985	0.4
94.34380	0.4
97.02811	4.9
98.97521	2.7
99.04365	5.4
103.03887	4.7
109.02846	3.1
116.98559	3.1
127.03871	100.0
128.04161	0.5
131.00159	0.5
133.86826	0.4
145.04953	2.4
146.99646	0.4
153.01796	0.6
158.99628	0.6
162.99104	0.5
177.00655	1.7
181.04901	2.2
183.01195	0.4
185.77202	0.4
219.01703	0.8
237.02765	1.9
271.05823	5.1
347.13733	0.7
365.14810	3.9
389.14673	0.7
407.15732	0.5
429.00229	0.4
433.14664	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	433.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	0.9
53.22736	0.3
53.23291	0.3
55.01799	1.0
57.03379	2.9
61.02845	2.1
65.03869	4.3
67.05413	2.3
68.99703	0.8
69.03349	9.8
70.06509	1.8
71.04902	0.6
73.02832	0.5
78.44125	0.4
81.03326	3.1
82.04096	2.1
83.04868	0.4
84.08092	0.4
85.02826	20.5
86.09618	2.1
87.04384	0.5
91.05420	3.6
92.04907	0.4
95.04884	0.8
97.02823	6.2
97.06464	1.5
98.97494	1.7
99.04374	2.0
101.02357	0.5
103.03876	1.6
107.04888	1.6
109.02835	3.4
110.03612	1.9
110.25037	0.4
111.04400	1.0
116.98571	1.9
119.04871	1.6
120.04408	3.6
120.08026	0.6
121.02856	0.4
121.10091	0.5
125.05954	0.7
127.02935	0.9
127.03872	23.4
130.06485	0.8
132.08038	0.6
133.10065	0.5
134.99643	0.6
136.07558	0.9
138.03058	1.8
142.02571	0.6
145.02824	0.9
145.05002	0.7
146.05969	1.0
146.99670	0.5
149.02280	3.2
153.01804	9.4
158.99635	0.9
159.04372	0.5
165.01772	0.5
169.06412	0.9
171.06503	4.1
177.00676	1.5
181.04918	35.8
182.05287	1.0
183.03015	0.6
188.07002	1.6
197.05957	2.2
205.09808	0.5
215.06979	6.8
225.05441	0.7
237.02733	0.9
243.06454	6.7
253.04768	3.3
271.05948	100.0
272.06335	4.3
289.09409	0.4
295.06061	0.6
307.10754	0.7
313.07101	2.4
365.14725	2.2
413.61127	0.4
431.11353	0.6
433.14545	5.5
452.63861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2348
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
51.04087	0.8
52.03808	0.9
53.03889	2.5
55.05450	11.9
56.99253	1.0
57.03370	11.7
57.07001	2.5
60.08116	1.1
62.05998	1.8
63.61443	1.0
64.33608	0.9
65.03845	2.0
67.05427	45.1
69.03349	4.8
69.06991	11.2
71.04913	1.2
71.12093	0.9
79.05406	35.4
81.06972	38.4
83.04884	1.5
83.08554	4.7
85.06478	1.7
86.09641	2.1
91.05396	16.3
93.06972	39.4
93.07524	2.4
95.04850	1.9
95.08537	31.6
96.08719	1.0
97.06446	1.6
97.10117	1.5
98.98393	100.0
105.06964	15.4
107.08535	34.8
108.08871	4.5
109.10109	11.1
112.06873	1.1
116.99421	4.3
117.06987	5.0
119.08546	32.1
120.08864	6.8
121.10110	16.2
123.11652	2.8
131.08511	9.3
133.06445	14.1
133.10095	7.6
134.06796	2.5
135.08038	6.1
135.11646	11.6
136.08354	2.2
137.13284	1.7
145.10104	7.4
147.11696	4.8
149.13216	7.2
155.00993	18.0
159.11681	6.4
161.13220	2.3
163.14763	4.8
169.91888	1.2
173.02103	6.0
173.13206	4.2
184.07301	2.6
243.21031	8.5
261.22052	27.2
271.05917	7.2
317.24808	1.9
335.25735	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	433.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46517	0.2
55.01802	1.8
55.05449	3.0
56.96492	0.4
57.03143	0.2
57.03377	3.4
58.32490	0.3
61.02851	2.0
65.03848	0.6
67.05421	1.4
69.03352	13.9
70.03674	1.8
71.04896	0.6
73.02833	0.7
79.05405	1.6
80.05759	0.4
81.03357	2.7
81.06956	0.5
83.04897	4.7
84.05238	0.3
85.02822	5.5
86.03155	0.4
86.09643	0.4
87.04403	1.3
91.03872	0.7
91.05402	9.9
92.05736	2.7
92.97588	0.4
93.06968	0.5
95.08545	0.3
98.98399	1.3
99.04379	0.7
103.05386	0.4
104.06193	0.4
105.06986	4.9
106.07303	0.5
107.08540	43.2
108.08867	13.6
109.06461	2.7
109.07581	0.5
110.06789	0.4
111.04388	3.3
112.22182	0.3
117.06956	1.3
118.07350	0.6
119.08537	100.0
120.08868	36.4
125.00030	0.3
129.05428	2.8
130.05820	0.5
133.06470	1.9
133.07384	0.3
134.06802	0.7
135.08023	30.6
136.08365	10.4
147.06493	1.4
154.12216	0.5
212.89595	0.3
227.14928	0.3
257.93082	0.3
271.05933	2.3
281.13797	1.9
282.14182	0.7
291.05737	0.3
315.16428	0.5
333.17438	1.3
351.18307	0.7
380.75574	0.3
393.82236	0.3
416.21326	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	12.2
57.05377	2.2
57.07015	14.9
67.05438	4.5
67.55975	2.5
69.06986	19.3
71.08546	11.2
71.17336	2.6
83.08527	5.3
93.06961	3.0
95.08530	5.3
97.06649	2.5
97.10127	5.6
105.06977	3.2
111.20502	3.0
112.15124	3.2
119.08529	5.3
121.06480	6.4
123.08035	14.3
130.13713	3.0
132.37373	2.5
135.08000	3.5
139.07593	3.7
149.05977	13.8
149.09616	3.5
151.07530	100.0
167.07022	80.2
191.10727	3.4
365.34219	2.9
385.12006	3.3
433.36530	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	434.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91568	0.4
53.03882	2.4
55.01810	0.6
55.05452	68.7
57.03373	0.4
61.02863	0.5
67.05421	2.3
67.34683	0.5
69.03345	2.0
69.06976	1.8
70.06512	0.6
71.04906	0.9
79.05392	3.8
81.03339	0.8
81.06973	4.1
83.04899	100.0
83.08515	1.0
85.02832	4.6
86.09616	0.8
87.04414	1.0
90.05473	0.8
91.05394	3.2
93.06974	3.2
93.51655	0.5
95.04906	1.9
95.08532	2.8
97.02830	1.2
97.06490	2.1
99.04379	0.9
100.11194	0.7
101.05971	4.1
103.03873	3.0
105.06979	2.9
107.04893	29.8
107.08534	2.9
109.02835	0.6
109.06474	0.8
109.10138	0.5
117.07010	1.9
117.76627	0.5
119.08537	2.8
120.04405	0.6
121.06474	1.8
121.10085	0.6
123.11638	0.6
127.03875	18.1
128.04224	6.0
129.06975	0.6
131.08524	2.6
133.06447	2.1
133.10091	0.9
135.08028	0.6
135.11668	0.7
137.05934	0.5
145.04967	0.5
145.10106	1.7
147.11755	0.5
159.07991	0.9
159.11723	2.2
173.09489	0.5
173.13277	0.7
182.15356	0.7
185.06010	2.2
187.07388	0.7
189.03893	0.6
199.07503	1.0
201.12689	0.7
203.07033	4.1
215.07094	1.8
219.13782	5.0
227.07072	2.4
235.10773	0.5
237.14789	0.6
257.06424	1.0
267.10138	0.6
269.07907	0.5
272.06293	0.8
275.09418	0.5
276.30048	0.5
287.09152	0.6
291.10141	0.7
297.11337	0.6
299.07581	8.9
317.08557	1.9
321.11340	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00239	0.3
53.03876	1.0
55.01817	0.5
55.05449	2.0
57.03372	14.4
59.04934	1.4
60.04461	0.4
60.61963	0.2
61.02853	1.8
62.31225	0.2
64.32396	0.2
65.03862	0.4
69.03356	3.7
69.06958	0.3
70.06507	1.9
71.01263	1.3
71.04908	83.9
72.05227	0.4
72.08073	0.5
73.02829	3.7
75.04385	4.2
77.71986	0.2
79.05408	0.3
81.03325	1.5
81.06947	0.3
83.04897	8.8
84.04404	0.6
84.08064	0.5
85.02825	100.0
86.03149	1.2
86.09650	2.2
87.04398	2.3
88.03905	0.3
91.05403	23.1
92.05730	0.3
95.04863	0.2
95.08529	0.3
97.02824	7.1
98.05918	0.2
99.04399	3.0
101.05956	1.0
103.03873	2.4
103.51525	0.2
103.93310	0.3
105.06992	1.9
107.04889	2.3
109.02827	2.2
110.07132	0.3
111.04379	4.0
113.10708	0.9
113.13177	0.2
115.03848	0.4
117.06937	0.4
119.04848	0.3
120.08067	0.3
121.02818	0.3
124.77668	0.2
125.87209	0.3
127.03873	6.8
128.04182	0.3
129.05435	26.5
129.10193	0.2
130.06512	0.4
131.08533	0.3
132.08043	0.5
133.06436	1.3
141.10182	1.1
144.08076	0.2
145.04948	2.1
145.06421	1.1
146.08043	0.4
147.04485	0.4
147.06491	10.6
147.07672	0.4
148.48959	0.2
151.03831	0.3
159.07982	0.3
159.09114	2.0
160.09448	0.4
161.05862	0.3
163.05940	0.5
164.09151	3.7
165.07559	0.3
171.06438	0.3
175.07497	0.6
181.04889	0.3
189.07356	0.3
199.07457	0.3
231.08623	0.3
237.07544	0.4
243.06377	0.3
255.08524	0.6
271.05695	0.4
272.06262	0.5
273.09482	0.5
309.11542	0.9
434.16736	0.5
440.69516	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	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40794	0.7
53.00243	1.1
53.03888	1.3
54.81547	0.7
55.01808	4.1
55.05453	1.2
56.04969	0.8
57.03097	1.3
57.03375	37.0
57.53948	0.7
59.04934	4.1
60.04469	1.1
61.02855	9.5
67.05438	3.1
69.03351	74.2
70.06504	7.1
71.01234	1.0
71.04906	3.8
72.08072	6.3
73.02831	28.3
75.04401	6.4
79.05389	1.7
81.03333	8.9
83.04886	1.0
84.04424	5.2
84.08051	1.8
85.02828	100.0
86.09648	2.7
87.04397	40.2
87.44270	0.7
91.03889	4.3
91.05405	1.9
95.04848	1.2
95.08516	1.3
97.02825	68.3
98.05944	0.9
99.04379	5.6
103.03891	3.0
103.05403	1.1
104.10703	0.8
104.32392	0.8
105.06973	12.7
109.02847	8.3
110.07140	1.4
111.04427	1.0
112.11202	1.1
115.03884	48.3
117.06947	1.1
119.04892	0.9
123.04399	1.5
126.05465	1.9
127.03866	23.8
128.04167	1.4
133.04933	33.4
133.06438	7.6
145.04944	22.5
146.05992	1.0
147.04422	1.6
147.08017	1.2
150.07614	5.4
158.02698	1.3
159.09232	1.0
160.07497	0.9
163.05974	7.9
167.07024	1.9
169.04974	1.7
170.09874	1.2
171.08167	1.4
181.04860	1.6
188.06970	1.2
190.99652	0.9
201.09094	1.8
223.06081	1.4
241.07146	1.1
259.08075	1.8
272.06390	1.4
277.09109	1.8
285.13235	5.1
287.05557	3.2
287.14157	5.5
295.10239	3.8
410.94342	0.8
433.27631	5.7
434.28024	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	434.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	4.7
55.01818	1.9
55.05443	2.1
57.03369	9.6
57.07010	5.8
57.25788	0.7
61.02856	7.9
67.05431	5.9
69.03349	51.5
69.06988	4.9
71.01264	1.0
71.04907	8.3
72.32146	0.7
73.02844	1.2
79.05412	25.8
79.72287	0.8
81.03337	37.0
81.06977	7.7
83.01265	1.5
83.04926	9.3
83.23665	0.9
85.02828	100.0
87.04398	4.9
91.04900	0.8
91.05427	4.1
93.06967	25.5
95.04919	1.7
95.08536	3.9
97.02824	96.6
97.06497	5.2
99.04386	24.7
101.02322	2.1
103.03847	2.0
103.37657	0.9
105.07027	1.6
107.04919	1.5
107.08540	12.0
109.02833	26.0
121.06444	1.6
121.10122	1.9
125.05945	11.6
127.03882	80.4
128.04213	3.7
133.10103	6.2
135.11659	48.4
139.07491	7.3
145.04910	12.4
149.13243	3.9
149.31755	1.0
153.12750	3.6
177.12749	5.0
187.05983	39.2
195.13773	27.8
205.07045	72.1
323.14883	1.0
415.56516	0.9
419.92273	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	19.8
56.96493	4.9
57.03362	10.2
57.07010	8.4
67.05081	2.6
67.05427	63.8
69.06994	17.5
71.07284	4.2
71.08540	2.9
76.56612	2.4
79.05406	27.0
81.03300	2.4
81.06977	84.7
83.08534	12.3
86.09624	25.7
91.05399	17.6
91.14716	2.5
93.06973	27.9
95.04889	2.6
95.07973	2.9
95.08541	65.1
97.06419	2.8
97.10084	4.2
98.98399	100.0
105.06965	12.2
107.08546	17.7
109.04533	2.1
109.07574	2.7
109.10114	28.1
112.13643	2.2
113.07870	2.6
116.99463	4.1
119.08528	5.2
121.10105	10.6
123.11637	4.2
124.99950	9.4
127.47280	2.0
133.10080	8.8
135.11617	3.0
146.94012	2.6
149.13194	4.2
151.14751	3.4
154.99814	3.5
155.01021	78.9
161.13196	5.1
175.14749	2.6
184.07317	4.5
223.58240	2.4
237.35889	2.4
245.22617	17.2
263.23572	41.6
299.88873	3.5
348.39459	2.4
434.32471	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	434.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28605	0.4
53.60840	0.3
55.05446	0.5
56.96490	0.8
57.06744	0.4
57.07014	10.9
59.48215	0.3
67.05412	0.4
71.07291	1.7
79.05396	0.4
81.06975	0.6
83.22271	0.3
84.48309	0.4
86.09622	3.7
89.39568	0.4
91.05392	3.3
93.06975	1.0
95.83580	0.4
98.98411	0.6
105.06975	8.9
107.04904	0.6
107.08524	2.5
119.08534	15.4
121.06454	3.6
121.10100	31.7
124.99943	0.7
133.06436	2.5
133.10094	16.7
142.07719	0.8
145.06459	0.6
145.10078	1.7
147.08038	2.0
147.10481	0.9
147.11664	28.7
151.11145	0.6
157.10133	2.0
159.54277	0.5
160.08817	0.8
163.11166	0.7
175.11150	16.0
184.07274	0.9
195.30591	0.4
283.16873	100.0
284.17282	3.2
287.54086	0.5
339.23129	52.0
340.23468	3.0
434.26749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1274
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
55.01798	3.6
56.04965	3.5
56.76921	1.6
56.96494	7.4
60.04453	3.5
61.02095	1.7
69.03317	2.7
70.06514	43.8
70.48979	1.8
72.08058	2.9
74.00575	1.7
76.02112	2.1
84.04437	24.4
84.08077	4.0
85.02814	8.4
86.09613	11.5
90.05478	2.2
91.05397	2.3
97.02847	1.8
98.97495	28.9
108.04391	2.9
108.24577	2.0
110.07108	10.2
116.07069	1.7
116.98589	25.5
117.96913	2.1
127.03866	8.2
127.04961	3.3
128.04262	3.0
130.04974	2.3
131.00113	10.0
134.99619	10.5
136.06119	2.0
140.02983	1.8
142.03185	4.1
144.06447	2.2
145.04832	1.9
146.99663	3.3
147.04367	2.0
149.01192	8.7
158.02663	2.8
158.99632	13.6
169.38678	2.1
173.01199	3.9
173.12779	2.9
177.00667	23.6
189.04298	4.2
191.02254	10.3
191.04836	9.0
195.01820	2.9
215.53824	2.3
219.01645	4.1
237.02794	10.5
241.00333	2.0
254.03738	2.3
258.78595	1.9
276.21323	2.1
279.66763	1.9
291.07654	2.4
292.58667	2.0
296.63257	1.9
303.08502	2.7
309.08536	20.5
344.18240	1.9
351.09534	17.5
375.09723	4.5
391.38138	2.1
435.12512	100.0
435.18320	5.1
436.12881	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1278
Annotation	Chalconaringenin 4-glucoside
Peak:m/z	Relative Intensity
53.03881	1.1
55.01797	1.3
55.05435	0.3
57.03373	2.0
61.02855	2.3
65.03857	1.6
66.04214	0.3
67.01773	1.8
67.05412	0.5
68.99693	1.2
69.03348	5.3
71.04928	0.4
72.44350	0.2
73.02818	0.5
79.05385	0.3
81.03324	3.0
82.04114	0.6
83.01244	0.3
83.08535	0.4
85.02824	17.9
87.04410	0.4
91.03864	0.3
91.05405	3.7
95.04886	2.6
97.02821	5.3
98.32971	0.3
99.04374	0.4
99.91316	0.2
100.11182	1.2
107.04879	2.3
109.02833	1.2
111.00731	0.4
112.07474	0.3
119.04890	15.1
120.05198	0.3
121.02806	3.0
123.04367	4.0
125.02271	0.5
127.03843	2.0
135.04373	0.4
145.04886	1.2
147.04382	48.7
148.04660	0.5
151.03897	0.5
153.01794	100.0
154.02094	1.2
163.03862	1.7
165.01778	4.9
171.02849	5.2
171.06496	0.5
177.01788	2.2
179.03354	0.7
181.04912	6.7
182.05275	4.1
182.15424	0.4
183.02870	3.2
183.05373	2.5
189.01816	0.5
189.05403	1.2
191.03348	3.0
195.02858	10.7
203.03276	0.3
205.05048	0.4
207.06343	0.4
209.16432	0.4
215.03319	0.3
219.02852	4.0
231.02820	3.5
231.06422	0.6
249.03873	1.6
255.06470	0.6
261.03833	3.1
273.07504	80.5
274.07819	1.8
285.07504	2.9
297.07440	1.7
315.08478	1.1
339.08655	2.5
351.08566	1.0
363.08582	0.5
381.09537	0.6
399.10577	0.7
435.32935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1287
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
52.97929	0.2
64.33115	0.2
67.01777	1.3
68.99691	0.5
69.03342	1.1
71.04930	0.2
72.98916	0.2
84.04464	0.3
85.02814	1.9
91.05406	3.5
92.10195	0.6
95.04903	1.6
97.02814	0.5
107.04899	1.6
111.00757	0.3
112.27705	0.3
119.04899	13.9
120.04414	0.3
122.80341	0.2
123.04387	4.1
127.03886	0.5
147.04395	48.8
148.04723	0.5
151.03914	0.5
153.01810	100.0
154.02165	1.1
163.15953	0.2
171.02876	4.6
179.03381	1.2
189.05389	0.5
195.02856	0.3
196.94556	0.3
250.87080	0.3
255.06433	1.1
271.06049	2.6
272.06329	3.3
273.07535	77.7
274.07864	2.3
309.74625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1285
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
50.15746	0.2
51.55974	0.2
53.03872	1.1
55.01803	1.2
55.05436	1.3
56.96479	0.3
57.03355	1.3
61.02844	1.4
64.26572	0.2
65.03854	1.0
67.01780	1.6
67.05417	1.0
68.99706	1.2
69.03351	4.9
69.06651	0.3
69.06992	5.9
69.46177	0.2
70.42078	0.2
71.04890	1.2
73.02813	0.4
79.05397	1.7
80.03502	0.2
81.03337	3.2
81.06967	1.3
83.01247	0.4
83.04895	0.3
83.14909	0.2
84.08020	0.2
84.64539	0.2
85.02824	9.8
87.04376	0.4
91.05400	6.4
92.04874	0.3
92.09077	0.2
93.03335	0.5
93.06960	1.5
95.04887	2.9
95.08504	1.2
97.02815	3.9
97.06444	0.5
99.04381	3.6
100.11171	0.4
100.43062	0.2
103.03880	3.4
103.05388	0.4
105.03316	0.4
105.06981	0.5
106.04136	2.3
107.04907	2.6
107.08526	1.6
109.02806	2.1
111.00766	0.2
111.04366	0.3
111.11662	0.5
117.06918	0.3
119.04893	16.3
120.04395	0.5
120.70068	0.2
121.04768	0.2
121.06464	2.6
123.04383	4.2
123.07965	0.4
125.05933	0.3
127.03880	6.1
128.04213	0.3
131.08516	0.4
137.05928	0.4
145.04909	1.0
147.04385	43.0
148.04735	0.4
149.05968	2.8
151.03831	0.3
153.01796	100.0
153.09100	0.5
154.02124	1.0
159.11641	0.4
161.05922	0.8
165.01721	0.3
171.02844	4.0
177.05473	0.5
179.03351	0.5
181.04886	0.4
181.08557	0.4
183.02849	0.2
184.07280	0.3
187.05936	0.4
189.05457	1.0
191.03294	0.4
191.14304	0.3
201.12657	0.3
209.07982	2.0
219.13765	0.4
220.13997	0.3
231.06390	0.3
255.06404	0.5
273.07501	64.6
274.07895	2.0
277.21524	0.4
281.31247	0.2
336.87643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1284
Annotation	Monospermoside
Peak:m/z	Relative Intensity
50.89864	0.2
53.03872	1.1
55.01802	1.6
55.05440	0.5
57.03365	3.2
61.02846	0.5
64.32944	0.2
65.03854	0.5
69.03350	3.1
69.06967	0.3
70.06496	1.4
71.04884	1.3
73.02802	0.6
76.02133	0.3
79.05410	0.3
81.03333	4.1
83.04890	1.3
84.04410	0.6
84.08099	0.2
85.02823	10.8
86.09615	0.6
87.04399	0.3
91.05402	1.5
95.04916	0.4
97.02225	0.4
97.02818	6.2
98.95731	0.3
99.04382	7.7
101.05967	3.4
103.03876	8.2
104.01639	0.3
105.03350	0.3
107.04893	12.1
109.02834	4.7
111.04369	0.5
115.03909	0.3
116.01543	0.3
119.04883	0.5
119.08501	0.7
120.08051	1.7
121.02802	0.4
127.03870	13.0
128.06154	0.6
129.05429	24.1
131.04877	0.4
131.08571	0.4
133.02832	0.5
137.02316	5.4
137.09657	0.3
139.71745	0.3
143.08574	1.1
145.02899	0.4
145.04926	4.2
152.06189	0.5
153.06958	3.4
157.06465	1.7
158.02661	1.0
163.05963	1.7
165.06937	3.1
169.05035	0.3
169.06520	0.3
171.07990	1.6
176.03697	0.4
181.06439	7.1
182.07166	0.4
187.06105	0.4
193.06418	1.2
197.05733	0.4
199.07503	100.0
200.07794	2.5
211.07437	0.4
227.06976	54.8
228.07323	1.6
237.05312	1.1
255.06454	39.5
271.08109	0.5
273.07422	2.3
435.17383	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1284
Annotation	Rumejaposide E
Peak:m/z	Relative Intensity
54.81651	1.4
55.01809	2.8
55.66606	1.4
56.83773	1.1
57.03368	2.2
61.02872	1.4
69.03341	1.2
70.06495	1.6
72.49457	1.2
79.05418	1.4
81.21053	1.3
85.02830	7.1
95.04887	2.2
97.02814	1.8
101.04033	1.3
103.03880	2.2
105.04303	1.3
107.04897	100.0
108.05214	1.4
119.04910	2.8
121.02805	22.9
131.04880	2.6
133.02866	1.6
135.04398	8.6
141.06926	1.8
145.06516	1.4
147.04459	7.1
149.02364	1.8
152.06233	1.5
157.06502	2.2
161.02286	2.2
165.06924	10.2
167.03368	7.2
167.08582	10.1
175.03870	1.8
177.06990	6.4
179.03305	3.2
181.06523	1.9
183.08070	8.0
185.09633	2.7
193.06496	2.2
194.07263	2.6
195.08017	16.2
197.05934	5.4
199.07623	2.2
207.08131	2.9
210.06726	3.4
211.07468	16.9
212.08197	2.0
213.09097	7.6
223.07486	78.2
224.07829	2.1
225.05560	10.2
225.09082	5.6
226.06270	8.2
236.08330	8.7
237.08989	7.3
239.06970	90.3
241.08554	58.0
251.07019	15.3
251.10617	3.4
252.07718	1.6
252.11366	1.4
253.08571	2.7
263.06995	3.0
265.08505	26.2
267.06546	8.8
268.07166	2.8
269.08023	52.8
277.08633	2.3
279.06482	2.3
279.10153	2.7
281.08014	2.2
287.09308	2.8
289.08627	3.2
293.08057	26.3
297.07498	32.1
307.09637	3.4
311.08966	1.5
317.07990	2.4
321.07574	9.0
323.09009	18.5
325.10675	2.6
335.08960	11.0
353.10153	9.2
371.11072	9.7
381.09421	2.0
389.12234	47.0
399.10669	1.7
417.11758	2.5
438.46780	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61892	0.5
56.96499	8.2
61.43538	0.6
62.68922	0.5
64.33199	0.5
70.06490	1.1
73.02811	0.8
78.68394	0.6
79.09063	0.6
79.76698	0.6
80.14032	0.7
84.04436	2.4
84.08059	1.0
84.95947	1.6
85.02832	1.1
91.05376	1.1
98.97516	2.6
102.96954	0.8
105.72975	0.7
108.34227	0.7
112.49081	0.7
116.98579	1.2
119.04908	3.3
127.03874	1.2
128.98598	1.0
134.99609	1.0
146.99675	1.1
147.04320	6.6
149.01276	0.6
158.02602	0.8
177.00670	0.9
189.06044	2.6
197.01231	1.0
208.05399	0.7
211.02696	1.0
213.04434	1.4
215.02190	1.1
237.02888	0.8
239.02277	6.4
253.03796	0.9
257.03299	10.0
268.07828	0.6
271.99994	0.6
281.03320	0.8
291.10458	6.1
305.03259	0.7
311.03302	0.7
333.11520	1.1
373.14612	20.8
375.12595	10.3
413.03894	3.1
417.13336	1.0
435.14673	100.0
436.14993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	5.7
55.01814	1.9
55.05448	1.8
56.96502	0.9
57.03374	12.4
61.02861	1.6
61.92742	0.9
62.69210	0.8
67.05412	3.1
68.12730	0.7
69.03346	10.6
70.06509	3.8
71.04900	4.1
72.08074	0.9
73.02821	3.4
75.47757	0.8
76.02103	1.1
79.05391	1.0
80.88403	0.8
81.03336	19.1
81.06976	3.0
83.04908	7.3
85.02825	43.2
86.09621	1.4
87.04383	1.0
91.05405	6.2
97.02821	28.8
99.04384	34.1
101.05960	12.5
103.03880	37.0
105.03334	1.2
105.06965	4.5
107.04901	12.0
109.02827	17.2
109.10137	0.7
109.82726	0.8
111.04393	4.9
119.08472	0.9
120.08047	1.6
121.02797	1.5
123.11642	5.7
125.05975	0.9
127.03867	46.3
129.05437	91.2
131.08585	1.2
133.10083	5.4
137.02357	6.5
143.00447	0.8
145.04927	16.8
147.11726	1.3
153.06941	2.0
157.06393	1.1
158.02791	0.9
163.06010	6.5
165.06865	1.6
169.15573	0.8
171.07994	1.2
175.11086	0.8
181.06412	7.0
185.05888	1.0
187.06010	1.9
193.06502	1.0
193.12260	0.9
199.07509	100.0
200.07851	2.9
207.13876	1.0
227.06979	55.9
255.03732	1.3
255.06430	40.0
256.06714	1.0
271.08069	3.3
273.07477	1.0
402.18546	1.0
413.01279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82962	0.2
53.00237	0.3
53.03877	1.3
54.81775	0.2
55.01810	0.8
55.02042	0.2
55.05449	3.1
57.03374	1.7
57.06996	0.2
61.02844	1.2
65.03858	1.1
67.01775	1.5
67.05429	2.2
68.99702	1.5
69.02969	0.2
69.03345	6.9
69.06985	9.3
70.06489	0.4
71.04913	1.6
73.02802	0.4
75.57230	0.2
79.05395	1.5
81.02905	0.3
81.03335	5.4
81.06962	1.8
83.01266	0.4
83.04886	0.8
83.08526	0.9
84.04431	0.2
84.08076	0.5
85.02824	14.6
86.09644	0.4
87.04397	0.5
91.05395	6.6
92.04927	0.2
93.03310	0.5
93.06948	1.6
93.54011	0.2
95.04885	3.1
95.08532	1.1
97.02821	5.4
97.06464	0.8
99.04382	5.3
100.07531	0.3
100.11199	2.1
103.03866	4.5
103.05367	0.4
104.10648	0.3
105.03332	2.5
105.04410	0.2
105.06991	1.1
106.04134	3.2
107.04887	2.7
107.08543	1.4
109.02824	3.6
109.06470	0.5
109.10181	0.3
111.00745	0.3
111.04366	0.4
111.11663	0.5
119.04889	16.4
119.08514	0.4
120.04434	0.9
120.05240	0.4
121.02815	1.1
121.06435	3.1
123.04369	4.5
123.07973	0.3
125.05957	0.5
127.03864	10.1
128.04242	0.3
128.07021	0.2
129.10201	0.2
129.12733	1.1
130.04814	0.2
131.04880	0.3
131.08560	0.4
133.06480	0.3
134.03557	0.3
137.05948	0.5
141.25218	0.2
145.04916	1.6
145.06404	0.2
145.10101	0.2
147.04384	46.8
148.04733	2.0
149.05954	4.1
151.03873	0.4
151.07504	0.3
153.01799	100.0
153.09039	1.0
154.02139	3.8
157.06474	0.3
159.11691	0.3
163.07518	0.3
165.05362	0.3
165.68570	0.2
171.02841	4.9
177.05418	1.3
179.03342	0.9
181.04866	1.1
181.08533	1.4
182.15337	1.2
184.07333	0.4
187.05997	1.2
189.05402	1.0
191.03433	0.3
195.02876	0.4
199.18175	0.3
208.07312	0.3
209.08058	3.1
210.14859	1.1
215.02097	0.2
219.44185	0.2
220.14154	0.4
255.06447	1.1
271.08252	0.4
273.07504	65.1
274.07864	5.7
315.18021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2504
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.00224	1.0
53.03857	1.2
55.05446	25.0
57.03366	16.5
57.07013	13.1
58.06530	1.4
64.33466	1.3
65.03877	1.4
67.05428	66.7
69.06989	26.9
69.88678	1.2
70.06500	14.3
71.08554	2.8
71.40066	1.1
79.05404	18.5
80.55641	1.2
81.06506	2.8
81.06974	65.5
83.08533	11.7
86.09609	5.8
88.07550	5.5
89.05956	1.6
91.05387	12.8
92.10314	2.0
93.06973	21.0
93.22285	1.3
95.04876	1.3
95.08532	55.3
95.09142	2.0
97.06467	2.5
97.10092	5.3
98.98396	100.0
105.06952	7.2
107.08533	10.7
109.10105	23.6
116.99448	5.1
119.08532	8.7
121.10084	8.2
123.11641	6.9
132.10193	2.4
133.10107	7.2
135.11681	5.0
137.13283	3.1
146.11757	2.6
147.11667	5.2
149.13177	2.0
155.01016	40.7
161.13249	2.4
163.14778	2.1
173.02065	7.1
175.14714	1.9
184.07413	1.9
227.37723	1.2
242.74565	1.6
245.22615	12.3
263.23618	25.2
274.10635	1.4
284.29214	1.9
328.31970	14.5
329.32281	5.1
337.27292	45.6
372.34488	6.4
373.34872	2.8
394.59375	1.4
417.23392	1.7
434.38287	24.5
435.38586	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	435.2505
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
50.71647	1.1
53.03895	1.4
55.05224	1.3
55.05455	21.1
57.03379	12.7
57.07001	5.7
60.21136	0.9
65.03832	1.1
67.05430	59.4
69.06991	19.7
70.06184	1.1
70.06512	16.8
71.08530	1.1
78.49715	1.0
79.05418	16.1
81.06976	61.8
83.04912	1.3
83.08556	11.8
86.09630	1.4
91.05407	11.7
93.06973	17.5
95.08533	49.3
97.06424	2.2
97.10091	5.3
98.98398	100.0
105.06985	7.7
107.08522	8.1
109.10113	17.8
111.08041	1.3
112.07542	9.0
116.99434	2.5
119.08537	8.2
121.10104	8.8
123.08029	1.3
123.11635	7.1
133.10051	6.5
135.11647	4.4
137.13211	4.1
147.11613	2.6
149.13248	2.0
151.14742	1.0
155.01021	47.3
161.13260	4.6
163.14864	1.2
165.16287	1.0
168.06947	1.2
173.02074	5.8
175.10732	2.5
175.14848	1.7
179.17851	1.2
184.07359	1.3
245.22597	11.6
263.23648	24.1
337.27298	31.6
359.52609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	14.0
56.28829	0.8
58.21992	0.9
67.05433	1.9
67.80633	0.8
70.00404	0.9
72.08071	100.0
79.33018	0.8
81.06959	1.9
86.09602	1.0
92.38931	1.0
109.06477	1.3
162.19505	1.1
165.12741	4.5
191.98318	1.1
204.14485	1.0
279.69534	1.5
291.23166	1.1
353.20621	8.2
358.46069	1.2
362.30493	14.5
363.30438	1.0
390.29831	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	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	7.6
55.01810	11.8
55.05449	9.8
57.03366	7.2
57.07007	6.7
61.02835	6.4
65.03876	1.2
67.05427	21.4
68.99694	2.5
69.03350	30.2
69.06989	20.2
70.06506	2.0
70.14210	1.2
71.04899	5.7
73.02815	8.7
74.09631	1.9
79.05407	20.5
81.03336	29.6
81.06516	2.2
81.06978	64.5
83.04882	7.9
84.04468	1.7
85.02829	64.2
85.06463	1.4
85.96646	1.2
86.09613	1.6
87.00758	27.6
87.04402	1.7
91.03867	2.2
91.05395	12.4
93.06975	49.3
95.04882	6.3
95.07970	2.2
95.08530	45.7
97.02319	1.5
97.02834	26.8
97.06461	100.0
99.04374	9.3
103.03848	2.1
105.01797	17.9
105.06989	11.5
107.04893	3.0
107.08542	40.0
109.02835	21.1
109.06452	3.0
109.10114	21.2
115.03907	1.7
117.01756	3.1
119.08517	6.5
120.04391	5.5
121.06456	3.0
121.10085	3.3
125.05941	1.6
127.03886	29.8
129.01810	1.8
131.08469	1.9
133.10072	1.6
135.11664	21.1
137.13235	28.4
143.08562	1.5
145.04929	8.2
145.38197	1.5
147.02760	1.6
147.07870	1.5
147.11668	2.5
153.12721	2.6
157.10007	1.6
159.02872	10.7
161.04407	1.4
161.13098	1.8
163.11218	1.4
165.12679	2.2
200.41579	1.6
325.64670	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00259	1.9
53.03883	12.9
53.84966	1.7
53.86007	1.5
54.81768	1.9
55.01816	17.5
55.05443	9.9
57.03370	10.4
57.07016	3.4
59.04924	1.7
61.02856	8.6
67.05426	16.7
68.99709	4.6
69.03352	57.5
69.06971	13.7
70.06511	8.4
71.04909	11.0
72.08078	7.7
73.02826	12.1
74.05991	4.0
74.09643	3.3
75.45980	1.7
76.26184	1.8
79.05401	16.9
81.03338	47.6
81.06976	18.0
83.04906	3.5
85.02830	100.0
86.09643	4.5
87.00754	51.0
87.04398	2.3
91.05403	17.0
92.64144	2.3
93.06979	59.3
95.04885	12.6
95.08544	12.7
97.02822	54.7
97.06461	11.7
99.04399	16.3
103.03887	2.3
105.01814	28.2
105.06953	14.5
107.08537	70.2
109.02821	46.9
109.06471	10.8
109.10114	12.2
110.07078	2.7
111.04410	3.1
115.03892	2.7
117.01801	4.4
119.08543	4.3
121.10071	8.0
123.04423	3.0
123.11646	2.9
127.03875	55.7
129.01851	3.7
129.06946	2.4
130.06453	1.9
133.10106	8.0
135.11668	32.5
137.05937	4.4
137.09669	2.1
145.04958	19.7
145.10092	3.4
147.11659	4.7
151.07556	2.8
151.11125	14.2
153.01830	2.3
153.12724	4.7
159.02840	26.4
159.11588	2.7
177.12816	2.5
187.07475	2.3
208.07664	2.3
216.07341	3.3
217.07608	2.3
227.66849	2.2
231.04996	9.8
237.14827	3.8
271.05988	14.5
272.06256	36.6
273.06540	32.6
274.06769	36.4
275.07480	2.3
302.12073	8.5
307.65652	2.4
365.15698	2.7
371.17023	3.6
383.16800	3.3
401.17914	2.1
437.13611	9.1
437.18109	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	436.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58303	1.4
53.03878	2.8
54.81419	1.6
55.01800	9.4
55.05450	22.1
56.96493	3.8
57.03106	3.5
57.03372	73.8
57.07014	6.7
62.35988	1.8
67.05426	60.8
69.03335	8.7
69.06981	40.4
71.01257	2.3
71.04905	28.8
73.02808	2.4
76.67219	1.6
79.05405	61.1
81.03338	32.8
81.06969	79.8
83.04889	4.2
83.08534	12.3
84.95943	1.7
85.02829	13.9
85.06446	12.1
86.06918	1.8
86.09627	2.9
87.00768	3.1
91.05410	48.9
93.06966	61.4
95.04894	25.1
95.08529	37.0
97.02823	8.7
97.05856	3.9
97.06454	95.7
97.10075	3.4
98.06934	1.7
99.04373	2.0
99.08018	100.0
100.08362	1.7
105.01823	3.4
105.03322	2.2
105.06972	41.3
105.35724	1.8
107.04884	41.5
107.08524	35.0
109.06463	19.5
109.10109	16.6
111.08023	3.1
113.05967	8.1
115.07514	16.6
117.06960	24.1
119.08542	26.8
121.06485	16.8
121.10106	17.1
123.08018	9.9
125.05917	2.1
125.09576	1.9
127.03891	6.7
127.07521	20.6
129.06955	8.8
131.06953	2.2
131.08537	23.5
133.06441	7.8
133.10069	20.6
135.08025	18.7
135.11687	12.4
137.09583	2.1
143.08539	7.8
145.06534	1.9
145.10074	16.0
147.08012	10.9
147.11618	7.6
149.09573	9.0
149.13216	16.7
155.08496	2.2
157.10104	8.9
159.11678	17.9
161.09567	8.3
161.13203	3.2
163.11115	2.3
165.12720	2.5
171.11642	3.3
173.09566	1.8
173.13174	7.5
175.11154	8.1
177.12654	12.8
179.10428	2.3
179.14330	2.5
184.07414	2.8
187.11147	2.1
195.13820	3.3
201.12680	4.4
207.13806	2.0
207.57916	2.0
217.15866	4.1
219.13638	3.1
233.15329	21.2
255.17383	2.8
269.14737	3.2
269.17401	57.2
273.18457	22.6
287.05460	6.7
291.19421	27.1
297.16934	7.9
307.18860	3.2
325.19986	12.6
333.49249	2.1
347.22113	7.4
365.23087	25.3
383.24185	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01450	0.5
55.05446	3.3
56.04971	3.3
56.96497	3.8
57.07005	3.4
60.08096	18.6
64.90677	0.6
67.05421	3.3
69.06978	4.1
71.07291	16.5
71.08539	1.1
81.06960	1.7
83.08507	1.1
86.09631	100.0
87.09962	0.7
94.35799	0.7
95.00006	0.7
95.08537	2.7
98.98391	15.4
104.10716	4.8
124.99969	81.6
133.91682	0.7
143.01054	1.6
155.01050	1.7
163.01578	1.2
184.07309	27.8
206.16060	0.7
229.07381	0.7
233.23073	0.9
265.25348	0.7
269.10483	1.1
287.11826	0.8
308.46857	0.7
319.19257	0.9
337.20544	3.7
338.20660	1.0
351.18265	1.3
369.19324	3.0
387.20068	0.7
395.10303	0.7
435.75424	0.8
436.35437	59.8
437.35776	2.7
449.57886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85982	1.2
55.01804	1.6
56.04976	1.6
56.96500	3.5
58.99524	8.7
64.33768	1.5
66.90966	1.2
69.07008	1.4
70.06508	13.9
72.08059	1.3
76.02147	15.3
84.04427	33.7
84.08065	1.6
85.02824	3.6
86.09618	1.6
86.98958	1.5
88.02143	100.0
88.03883	1.4
90.05474	12.0
90.94737	1.4
91.05404	1.5
93.06982	1.9
95.46394	1.4
97.06420	1.7
98.97478	1.6
100.02100	1.3
102.03686	1.9
102.05467	1.6
104.01634	1.9
110.07107	3.4
112.08638	1.8
114.05494	1.6
116.01639	7.4
116.07047	2.3
116.98607	1.6
117.02315	1.3
120.05295	1.7
120.07990	1.8
127.03859	2.2
130.04964	27.1
134.99626	1.4
141.04865	1.5
142.03226	12.1
142.04984	1.7
146.02679	3.4
147.04459	4.2
158.02682	17.3
170.02675	8.0
176.03775	2.8
181.04907	3.0
187.05299	7.1
193.06354	9.5
199.05367	2.9
215.04791	2.4
216.03151	5.9
216.67244	1.6
227.04771	5.1
233.05899	11.0
242.10239	1.5
245.05869	11.4
257.03305	2.3
258.03732	1.6
259.07791	1.9
301.03058	2.0
320.07230	5.6
327.60709	1.6
330.05609	2.0
348.06717	30.2
414.04071	1.7
437.11243	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	437.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	9.6
55.01808	8.7
55.05448	5.8
56.04975	1.5
57.03362	2.3
61.02848	2.3
63.13026	1.3
65.03855	2.5
67.05414	5.7
68.99712	1.6
69.00300	1.3
69.03349	24.1
69.06986	3.1
70.03679	1.6
70.06508	7.2
71.04897	6.3
72.08064	6.8
73.02820	1.7
74.05997	1.3
74.09651	1.4
75.09468	1.3
79.05395	7.4
81.03338	19.2
81.06960	9.9
83.04906	2.0
83.55430	1.5
84.04417	2.2
84.08070	6.3
85.02828	33.9
86.03162	1.4
86.09625	5.5
87.00758	17.0
91.03893	1.3
91.05402	8.8
91.87275	1.3
92.05745	1.4
93.03342	2.0
93.06969	17.6
95.04908	2.6
95.08515	8.6
97.02824	21.8
97.06461	4.5
99.04378	7.8
103.05376	1.6
105.01825	10.7
105.06980	7.4
107.08556	13.5
108.08790	1.4
109.02826	21.7
109.06445	5.7
109.10098	6.4
110.03165	1.7
110.07098	6.8
111.04396	10.6
111.20316	1.4
112.02168	2.4
116.01663	2.3
117.01797	1.4
119.04883	1.3
119.08545	5.7
120.08016	1.8
121.02853	2.8
121.06429	2.6
121.10101	2.4
123.04414	2.6
123.07964	5.2
123.11623	1.8
126.05395	1.5
127.03879	18.2
131.08543	5.4
133.06129	1.3
133.10100	1.9
135.08028	3.2
135.11662	8.4
137.09569	1.8
145.04944	6.4
145.10162	1.5
149.05986	1.4
151.11221	2.5
153.12741	2.0
158.02736	2.8
158.09653	1.4
159.02855	5.4
159.11679	2.1
161.09586	2.3
163.11273	1.5
164.05133	1.4
165.07283	2.1
166.06836	9.1
167.57997	1.6
171.11674	1.9
175.09760	1.5
178.06691	1.7
180.08383	6.5
182.06316	2.7
184.07816	1.7
190.06801	2.2
202.12271	2.2
204.08417	1.8
208.07825	10.1
210.09264	1.4
210.12634	3.0
225.11385	2.1
231.04942	1.8
241.14552	1.7
242.10002	2.5
265.09918	2.5
269.08606	1.7
271.05984	3.0
272.06274	13.2
273.06491	18.0
274.06824	13.8
274.12585	6.9
275.07059	7.0
284.10873	6.0
293.09918	2.4
297.12576	5.5
302.12088	34.3
320.13062	5.6
325.12070	14.8
327.13718	2.1
330.11584	7.3
356.79642	1.9
375.13937	8.2
377.12064	3.0
391.16650	2.7
396.29538	1.4
401.15210	1.8
419.16321	20.4
437.13422	100.0
438.13831	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	437.1439
Annotation	Pterosupin
Peak:m/z	Relative Intensity
50.74786	0.1
51.02313	0.2
51.07334	0.2
53.03881	0.4
54.03370	0.1
55.01806	0.9
55.05443	0.2
57.03365	1.1
58.14996	0.1
59.41708	0.1
61.02848	0.4
65.03868	0.1
67.05422	0.3
69.03344	0.8
70.06500	1.4
71.04900	0.3
72.08063	0.3
72.69574	0.2
73.02822	0.3
73.97253	0.2
77.03838	0.2
77.74004	0.2
79.05414	1.4
81.03337	0.7
84.04414	0.4
85.02828	3.7
85.06480	0.2
86.09618	0.3
91.05398	3.3
93.07001	0.3
95.01247	0.3
95.04892	2.9
96.04427	0.9
97.02832	1.0
99.04368	0.8
103.03880	2.0
103.05380	0.3
105.03332	0.8
107.04897	100.0
108.05238	1.2
109.02856	0.9
110.07107	0.2
115.05389	0.3
117.06984	0.2
119.04893	11.4
120.08064	1.0
121.02827	1.7
121.06435	0.4
123.04391	2.2
127.03858	1.0
129.06873	0.2
129.10153	0.2
130.15002	0.2
131.04909	3.4
133.02814	1.0
133.06450	0.3
135.04373	2.8
137.02322	1.2
137.05951	0.4
141.06929	0.3
145.05019	0.3
145.06427	0.8
147.04391	7.8
149.02292	1.4
149.05922	0.3
151.03868	0.4
153.05453	0.9
157.06386	0.4
159.04388	2.5
161.02295	1.9
161.05850	0.7
163.03857	2.2
165.05481	0.4
165.06982	0.2
167.03374	2.6
167.08478	0.4
169.06396	0.3
171.04364	0.3
171.08080	0.2
173.02290	0.4
173.05931	0.8
175.03906	2.9
176.04694	0.3
177.05458	2.0
178.07745	0.2
179.03357	3.8
179.08554	1.2
181.04892	0.4
181.06474	0.4
182.07272	0.3
183.07968	0.2
185.05969	0.2
187.03879	0.9
189.05447	1.0
191.03363	0.4
193.04849	0.4
195.08015	0.4
197.09564	0.3
199.07509	0.3
200.04680	0.2
201.05482	1.0
203.03383	1.9
205.04959	0.4
207.06372	0.2
207.08073	1.0
211.07516	0.2
215.03351	0.9
217.04901	1.0
219.06526	0.2
221.09671	0.3
221.70407	0.2
223.07475	0.4
225.09122	1.7
225.75307	0.2
228.07825	0.2
229.04884	0.4
233.04436	1.1
235.07523	0.9
239.06949	0.7
241.08568	1.7
244.08795	0.2
245.04315	0.3
249.09055	0.3
251.06860	0.4
253.08524	3.4
259.05850	0.3
263.07303	0.4
263.10599	0.3
265.08548	0.9
267.10077	0.9
269.08084	0.7
271.09595	2.9
277.08929	0.2
281.08075	3.7
291.10178	0.4
293.08093	0.7
295.09631	2.6
299.09174	3.0
305.07965	0.3
307.09537	0.7
317.10303	2.5
319.09576	0.3
323.09061	2.7
325.10712	0.4
335.09039	1.1
337.10611	0.8
341.10175	1.1
347.09091	0.7
353.10172	1.2
365.10071	1.3
371.11151	0.4
383.11145	1.0
392.99152	0.2
393.24600	0.7
401.12277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	0.6
55.01796	2.0
56.04965	3.2
56.96494	0.7
57.03362	1.9
60.04453	0.9
61.02851	1.2
66.88747	0.4
69.03342	2.4
69.06983	1.0
70.02863	0.8
70.06506	17.0
71.04905	1.0
71.06834	0.7
72.08079	0.8
73.02843	0.8
73.20897	0.6
79.05407	0.9
81.03330	2.1
81.04428	0.5
83.04919	0.7
83.06034	0.8
84.04427	9.0
84.08066	4.8
85.02834	6.1
86.09624	2.0
88.03897	0.9
91.05390	5.0
93.06965	1.8
95.01247	0.6
95.04889	3.1
95.06004	0.5
96.08047	0.5
97.02804	2.5
98.97536	0.9
99.04383	1.1
101.07059	1.1
102.05464	0.8
103.03867	3.1
103.05376	0.7
105.03323	0.9
105.87701	0.5
107.04898	100.0
109.02886	1.8
110.07111	4.7
112.08696	0.8
114.09152	1.2
115.08633	1.0
116.98573	0.9
119.04884	6.8
119.08536	0.6
120.08057	5.4
121.02837	3.2
123.04377	4.1
126.05555	0.5
127.03928	3.7
129.10257	0.8
130.08638	0.9
131.04884	2.8
132.10181	3.2
133.02812	0.6
134.99567	0.9
135.04419	1.1
136.07492	0.7
137.02327	0.6
137.05954	1.2
141.06944	0.7
144.06520	0.6
144.08084	1.1
146.99597	0.5
147.04353	4.0
147.71844	0.5
149.02284	1.0
151.03902	0.6
157.06447	0.6
158.99651	0.6
159.04395	0.8
161.02296	3.6
163.03859	2.6
165.05414	0.6
167.03374	6.7
169.06445	0.9
170.07286	0.5
171.04355	0.7
173.02446	0.6
173.05830	0.5
175.03862	4.6
177.00662	0.7
179.03378	8.4
185.05847	0.6
186.09145	2.9
187.03888	0.6
189.05508	0.8
191.03351	1.0
193.04883	1.2
195.07840	0.5
201.09068	5.1
203.03406	4.3
213.05458	0.7
213.08992	0.6
215.03416	1.1
217.04887	0.8
219.01672	0.5
233.04413	1.2
237.02853	0.6
239.07011	1.8
241.08525	1.8
242.32248	0.5
245.04457	0.7
251.06964	0.5
253.08736	0.9
259.05722	0.5
263.05441	1.0
265.08505	0.7
269.08054	1.2
271.09647	0.6
281.08063	2.0
288.12170	1.2
293.08044	0.6
295.09726	1.7
299.09094	7.2
307.09592	0.7
317.10159	2.3
323.09052	4.9
335.09225	1.2
341.09897	0.8
353.10126	3.0
365.10257	0.9
383.11221	0.9
388.82922	0.5
419.19083	1.0
420.16315	2.1
437.12546	2.2
437.18680	0.6
438.19992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.266
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
55.05457	27.8
57.03373	12.4
57.07007	10.9
67.05430	28.0
69.06987	35.8
71.08529	3.0
74.65253	1.7
79.05402	16.1
81.06973	29.0
82.64266	2.1
83.08545	22.7
89.77461	1.7
91.05390	1.9
93.06961	15.0
95.08527	26.3
97.06487	2.7
97.10104	16.8
98.98400	100.0
107.08528	10.7
109.10105	11.4
111.11669	2.1
112.78589	2.1
116.99458	7.6
121.10093	16.6
127.39149	2.2
135.11641	12.5
155.01021	53.7
155.02292	2.6
173.02039	2.1
247.24074	8.0
253.07434	2.8
265.25174	18.0
271.08566	2.6
279.43668	1.8
297.06439	1.9
339.29025	32.1
372.26294	1.8
419.25485	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	437.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32258	0.3
55.01831	0.4
55.05211	0.6
55.05450	5.6
56.96238	0.7
56.96503	15.5
57.03374	2.2
57.07011	9.1
61.78580	0.3
64.27996	0.3
66.18987	0.3
67.05428	6.6
69.06989	8.3
70.06508	100.0
71.06840	0.6
71.08556	0.9
79.05425	2.9
81.06973	6.4
83.08528	3.2
91.05441	0.5
93.06986	3.0
95.08534	5.8
97.06435	0.5
97.10104	2.4
98.05972	1.6
98.98398	16.0
105.03351	0.5
106.82540	0.4
107.08562	2.0
109.10114	2.2
111.08024	0.4
112.07549	57.6
113.07899	0.5
115.08638	5.4
116.07021	4.9
116.98670	0.6
116.99462	0.7
121.10113	2.7
125.00011	0.4
129.02133	0.4
129.10187	4.9
130.00926	0.7
130.99992	0.6
131.03802	0.4
134.99524	0.5
135.11671	2.1
147.03291	0.6
149.02322	1.4
149.04823	5.4
149.13243	0.6
155.01013	10.8
157.09758	0.5
159.92715	0.4
167.05835	3.6
173.02133	0.5
174.99020	0.8
175.10739	19.0
179.00156	0.8
184.07460	0.4
189.00635	2.0
195.01231	1.6
197.01178	8.2
215.02237	9.5
215.04141	0.5
220.02812	0.5
222.99103	0.5
225.00615	0.4
241.00137	4.9
242.95898	0.4
247.24245	0.7
253.07491	4.7
265.25287	3.0
271.08463	9.6
272.08939	0.6
276.09064	0.4
279.05450	0.9
283.97406	0.4
297.06406	11.8
315.07507	2.0
319.19540	0.7
337.16739	0.8
337.20401	5.6
339.07254	0.5
339.28821	4.9
355.21637	0.7
377.12802	1.6
377.31442	0.9
389.44373	0.4
395.13663	4.4
419.32791	0.6
437.33890	0.8
438.29730	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	6.0
60.05582	13.9
67.05427	22.2
69.06983	7.8
70.06510	100.0
71.04898	4.1
71.65983	1.0
72.08073	9.0
79.05412	5.0
79.67787	1.0
81.06974	21.5
83.08536	1.5
86.09639	1.3
88.07551	1.3
91.05412	2.1
92.10952	2.0
93.06966	5.3
95.05981	1.1
95.08533	14.1
95.90833	1.0
97.07581	4.2
97.10091	1.2
98.98405	1.7
105.06971	1.0
107.08527	2.0
109.10104	4.9
112.08670	22.6
113.07156	0.9
114.10246	3.9
115.08642	11.5
116.07043	32.2
119.08520	1.2
121.10079	1.0
123.11617	0.9
130.09711	8.7
133.10104	1.9
158.09222	32.9
159.07652	1.2
175.11865	20.9
378.30042	7.5
400.67188	1.2
420.32224	2.1
437.34772	91.2
438.34952	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	438.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	4.2
54.03404	1.4
55.01805	1.7
55.05444	4.5
55.42171	0.7
56.04975	4.9
56.96505	1.0
57.03365	3.4
61.02855	1.4
64.33012	0.8
67.05419	0.8
68.04955	6.5
69.03351	11.4
69.06991	14.3
70.02851	0.7
70.06511	41.1
70.39391	0.8
70.53259	0.8
71.04913	3.2
72.08048	1.4
73.02832	1.5
79.05418	7.0
80.04929	1.1
81.03330	14.2
81.05724	4.0
81.06947	1.0
83.04908	0.9
83.05996	1.0
84.04434	12.2
84.08073	7.7
85.02343	1.6
85.02829	28.4
86.05981	3.7
86.09634	4.2
87.04386	1.9
88.03944	1.1
91.05399	1.9
92.05775	0.8
94.06477	4.4
95.04907	1.2
96.04403	1.3
96.08057	34.4
97.02818	13.3
98.05970	1.3
98.09627	1.4
98.97496	1.2
99.04385	23.0
103.03876	17.9
107.04897	21.1
108.05240	6.5
109.02827	9.9
110.07128	7.7
112.08657	1.1
114.08310	1.5
114.09114	45.4
115.03877	4.6
116.07027	1.1
116.10680	1.1
116.98496	1.1
119.04942	1.4
120.08055	4.3
123.04391	1.1
126.05537	0.9
127.03873	27.2
129.10193	1.3
130.04977	0.9
132.10168	100.0
140.06963	0.9
140.56229	0.8
144.08128	1.2
145.04936	6.5
163.05945	2.0
179.03282	1.3
181.04887	1.6
194.06921	0.8
201.08992	0.9
277.36639	0.8
402.17441	0.9
438.14020	1.6
438.19580	45.7
438.25644	1.5
439.20673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	1.1
54.81553	0.6
55.01810	9.2
55.05457	6.7
57.03372	22.1
59.04926	1.4
60.41447	0.7
61.02858	17.2
65.03860	3.8
67.05431	93.2
68.05758	1.2
69.03350	35.8
69.06983	1.7
70.06508	0.8
71.01266	4.7
71.04910	1.3
73.02833	100.0
73.22955	0.6
79.05415	6.2
81.03338	6.1
81.06974	16.1
83.04888	1.1
83.08518	1.3
84.04366	0.6
85.02829	74.6
87.04385	3.6
87.21999	0.7
88.98517	0.6
91.03899	1.5
91.05402	4.6
91.05898	0.7
91.95016	0.7
92.10957	1.5
93.06974	4.6
95.04903	1.3
95.08533	3.0
97.02825	45.8
97.06469	1.6
99.04389	4.5
100.11183	1.0
103.03867	1.3
105.06973	2.9
107.04887	1.2
107.08547	6.1
109.02833	7.4
109.10109	65.7
111.04444	0.9
115.03885	17.8
117.06953	1.1
119.08568	1.1
120.08070	0.8
121.10093	1.6
123.07995	0.8
127.03884	17.7
129.06969	0.6
131.08530	1.4
133.04945	15.9
133.10112	1.3
137.09489	1.0
140.10724	1.0
145.04936	16.8
147.04419	0.8
147.08006	0.9
149.09618	3.4
150.07668	1.3
155.02307	0.8
157.04796	0.7
163.05988	5.7
169.04889	0.9
182.15384	1.1
183.15738	0.9
210.14813	1.1
217.06934	0.8
221.45375	0.8
223.05995	4.2
223.16927	1.2
224.94102	0.8
241.07097	4.9
241.09116	0.8
241.14243	0.8
245.15123	0.7
259.08029	5.5
263.16562	1.4
277.09171	1.2
281.17383	1.3
295.10156	1.3
299.18332	1.2
394.26791	0.7
395.27164	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	3.2
55.05445	10.6
57.03364	23.0
57.07007	1.9
59.04926	1.7
60.61490	1.8
61.02858	10.8
65.03876	3.0
67.05074	4.8
67.05427	100.0
69.03350	42.2
69.06987	4.9
70.06486	3.7
71.01279	2.2
71.04911	2.8
71.99349	2.3
73.02832	57.8
74.43150	1.9
75.04386	2.3
79.05412	12.2
80.54359	2.0
81.03332	9.2
81.06966	36.0
83.04874	2.8
83.08504	2.6
84.08083	2.5
85.02831	64.8
87.00739	2.7
87.04400	12.0
91.05397	9.6
93.06986	13.2
95.04890	4.6
95.08511	17.9
97.02820	47.2
97.06460	3.1
99.04384	3.6
102.70905	2.2
105.01791	3.8
105.06981	12.8
107.08559	17.6
109.02824	4.2
109.06503	3.5
109.10108	52.4
110.07063	2.2
115.03880	21.4
117.01008	2.2
119.08543	4.0
120.08068	3.9
121.02813	3.0
121.10097	11.5
127.03862	18.3
130.06561	2.2
131.08549	3.1
132.54549	2.3
133.04930	13.8
133.10089	45.7
135.11685	4.5
137.09579	26.0
137.13254	3.7
145.04927	10.0
163.05960	2.6
188.07141	2.6
191.14284	9.0
241.07106	2.8
259.07983	4.2
263.16223	3.9
270.21185	2.3
271.05896	3.1
281.17258	2.1
294.85214	2.2
438.93491	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	438.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	3.0
54.20604	1.6
55.01805	8.2
55.05456	7.1
57.03374	16.2
57.06991	2.7
61.02856	11.5
67.05425	100.0
67.05788	3.9
68.05746	2.5
69.03006	3.1
69.03348	48.6
69.06977	11.3
70.06507	4.0
71.04899	3.9
73.02828	68.4
79.05416	11.9
81.03345	10.4
81.06977	37.0
83.08549	2.5
84.72234	1.8
85.02829	68.6
85.06461	4.1
86.09613	3.5
87.00753	7.4
87.04391	10.1
89.05905	1.8
91.05404	11.9
93.06956	9.0
95.04877	3.8
95.08531	22.5
97.02814	41.9
97.06426	2.2
99.04391	2.8
100.35693	1.8
105.01794	2.3
105.06962	11.2
107.04869	3.3
107.08524	17.7
109.02821	14.3
109.10106	49.2
110.07136	3.4
111.04434	2.0
115.03862	17.3
119.08526	7.8
120.08029	4.5
121.02820	3.9
121.10118	11.6
122.07244	4.3
127.03864	19.0
130.06517	2.2
131.08530	4.1
133.04881	15.2
133.10092	61.8
135.07974	1.8
137.09593	33.6
137.13251	4.7
145.04933	12.4
145.10091	4.1
147.04373	2.4
149.09526	3.6
149.13171	2.7
150.07652	2.6
155.14322	2.2
173.13202	2.1
188.07030	2.8
191.14276	12.4
223.06027	2.3
259.08035	3.3
262.98813	2.2
345.72964	2.2
345.77386	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2613
Annotation	Lythrancepine I
Peak:m/z	Relative Intensity
53.03856	4.3
54.17005	4.5
55.01814	4.9
55.05453	37.7
57.03363	5.1
57.07003	8.6
57.93275	4.4
62.05996	37.7
67.05424	34.1
69.06983	26.0
72.08057	5.0
79.05401	8.0
81.06969	29.1
83.08540	30.2
84.08092	5.1
86.09618	21.8
87.89664	5.1
89.05908	4.9
90.53859	4.8
93.06980	10.1
95.08506	21.8
96.82491	4.9
97.06473	24.2
98.98404	29.9
104.10692	12.0
105.29872	4.8
107.08549	10.8
109.10120	5.4
116.98663	5.6
121.10119	11.9
124.99996	9.0
129.05458	8.2
135.11690	12.3
135.43001	5.0
155.01018	6.1
163.18498	5.4
177.42148	6.4
184.07304	11.3
205.19490	8.3
235.56735	5.8
266.24634	22.5
295.11624	5.7
297.24155	100.0
374.22812	10.3
420.25015	7.9
438.19525	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	438.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	1.5
53.17556	1.3
54.15827	1.0
57.07010	77.4
57.28789	1.1
61.79457	1.1
61.87347	1.1
69.06954	1.9
71.08546	53.8
85.10100	22.1
89.05950	100.0
99.11665	1.6
107.07005	2.7
133.08551	38.9
151.09663	2.1
173.57613	1.4
177.11154	2.9
195.12267	2.2
224.83043	1.5
239.14838	53.6
421.35257	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	438.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54411	1.3
57.07015	65.4
64.72733	1.5
65.58955	1.3
66.37476	1.2
67.87843	1.3
69.06987	1.8
70.67879	1.2
71.08546	45.7
75.83981	1.2
85.10112	22.4
87.04397	2.2
89.05955	100.0
107.07018	1.7
113.13195	1.3
121.09322	1.2
130.08559	1.4
133.08589	40.6
133.71729	1.5
177.11212	7.8
195.12209	1.5
215.23949	1.4
239.14847	43.1
421.35117	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91021	0.4
53.00248	0.7
53.03885	0.7
55.01804	3.6
55.05451	2.1
57.03373	8.7
59.04934	1.0
61.02856	4.8
65.03851	1.3
66.11120	0.5
67.05430	100.0
68.05754	1.0
69.03351	20.2
69.06977	2.2
70.06501	2.7
71.01270	1.3
71.04906	0.8
73.02833	16.3
79.05415	1.0
81.03332	3.6
81.06985	6.1
84.08078	1.0
85.02831	33.0
87.04407	1.0
91.03888	0.5
92.17329	0.5
97.02225	1.1
97.02823	22.8
99.04380	0.9
101.02311	0.6
103.03886	2.3
105.06937	0.7
107.04909	2.2
107.08547	1.1
108.05203	0.6
109.02842	3.5
109.06498	0.6
109.10110	51.3
110.10389	0.6
111.84983	0.5
115.03895	6.2
117.95808	0.5
121.10073	0.7
127.03890	5.8
127.11150	9.5
127.99862	0.5
133.04921	6.4
133.10048	0.6
145.04933	6.1
163.06033	2.2
223.05977	0.7
259.07950	1.0
291.19882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	1.1
53.37785	0.4
54.81314	0.3
55.01817	6.1
55.05462	3.4
56.46448	0.4
56.96503	0.7
57.03377	11.0
57.07003	0.9
59.04941	1.0
61.02860	5.8
64.74416	0.3
65.03870	2.0
67.05431	100.0
69.03349	22.7
69.06983	3.3
70.06508	5.7
71.01275	2.9
71.04915	3.0
73.02834	21.9
73.36626	0.4
79.05412	1.1
81.03338	5.0
81.06976	8.6
83.04930	0.8
83.08553	7.0
84.04432	2.5
84.08073	0.7
85.02833	47.7
85.06471	19.7
86.09634	0.9
87.04408	2.5
91.03896	0.4
91.05411	2.2
92.10987	0.5
93.06966	1.0
95.04945	0.8
95.08553	1.1
97.02825	29.6
99.04385	2.4
102.05499	0.6
102.77197	0.4
103.03891	3.1
105.07005	1.1
107.04864	0.8
107.08556	2.7
109.02821	4.3
109.10110	80.0
110.07155	0.5
110.10481	0.5
115.03876	8.0
116.07133	0.6
119.04927	0.5
119.08547	0.9
120.08075	2.0
125.15838	0.4
127.03884	10.3
127.11157	24.8
129.07019	0.6
133.04935	6.6
145.04936	7.1
149.09718	0.5
163.06044	2.2
211.06081	0.5
211.43065	0.5
223.06049	0.7
241.07213	1.8
241.14421	0.5
259.08258	1.8
259.15451	0.6
278.10349	0.6
439.16748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	13.3
55.12977	4.3
67.05422	27.7
69.06982	26.7
79.05405	21.7
81.06963	45.7
91.05404	6.4
93.06979	48.9
95.08527	100.0
105.06992	50.3
107.08533	51.8
109.10101	25.1
119.08543	67.4
121.10117	40.3
123.11657	10.9
131.08554	22.6
133.10098	37.6
135.11656	26.4
139.11143	11.3
145.10091	33.5
147.11679	21.8
149.13240	29.8
157.10048	9.2
159.11659	43.0
161.13219	23.0
163.14911	7.9
173.13177	23.1
175.14761	20.0
177.16327	9.6
189.16318	20.4
201.16370	26.3
203.17856	8.4
215.17970	20.0
227.17845	24.4
245.19022	7.6
270.26782	5.2
290.88184	6.8
409.34760	7.5
421.34518	23.0
439.35742	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	440.277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81634	1.9
55.05457	4.1
57.03370	8.2
57.06770	2.2
57.07019	37.4
62.06020	24.5
67.05412	7.7
69.06981	10.4
71.08553	23.0
81.07001	12.8
83.08553	4.1
85.10122	14.4
95.08556	12.2
97.10102	1.6
98.98413	9.3
109.10100	3.4
113.86095	1.9
116.07050	2.1
116.98671	1.7
155.00975	7.1
184.07285	2.1
245.83333	1.9
268.26257	16.6
299.25775	100.0
300.26062	2.4
305.14029	1.7
344.70923	2.0
379.22189	3.5
422.26688	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	441.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96185	1.2
54.81737	1.2
56.96504	2.1
59.91803	1.4
69.03343	2.4
69.06985	16.8
70.06503	6.8
73.89651	1.4
74.13988	1.5
84.04414	1.9
85.02829	7.4
91.05388	1.6
97.02851	2.0
98.97507	16.1
99.07999	1.5
105.03371	2.0
116.07048	2.2
116.98580	14.1
125.34043	1.5
127.03876	2.4
128.98573	7.2
134.99643	10.9
140.07022	6.3
146.99619	9.0
147.04395	3.1
158.99602	2.4
161.01190	3.1
172.04234	7.1
177.00702	9.1
182.32004	1.8
189.00731	6.4
192.03912	26.3
193.04671	3.7
201.00734	9.4
216.06830	8.5
219.01700	13.0
221.67831	1.5
237.02888	1.8
243.01677	1.8
261.02740	11.3
262.07367	6.8
279.03772	3.6
321.04791	2.3
355.10062	2.4
397.10852	23.4
441.09897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	0.1
59.20377	0.1
59.43728	0.1
59.46460	0.1
63.17789	0.1
65.15173	0.1
67.01788	0.2
68.99694	0.5
70.06522	1.1
72.08056	0.1
79.73298	0.1
81.03350	0.2
84.04417	0.6
85.02818	0.7
86.09613	0.1
90.05598	0.1
91.04902	0.2
91.05410	3.3
95.08477	0.1
97.95849	0.1
103.01393	0.1
109.02869	0.1
119.04896	3.6
120.08070	0.2
125.05959	0.6
127.03860	0.5
134.05910	0.1
135.78456	0.1
147.04387	3.7
151.03831	0.2
153.01802	0.6
157.70662	0.1
157.95111	0.1
163.86523	0.1
169.04941	0.3
175.03886	3.7
179.07036	0.2
184.07303	0.1
193.04939	100.0
194.05260	1.7
207.06500	4.8
237.14421	0.3
246.14859	0.5
255.06241	0.1
288.82516	0.1
339.46472	0.1
441.10272	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	4.9
55.01819	0.9
55.05437	2.7
56.04967	1.3
56.96484	0.8
57.03373	9.6
58.60839	0.7
61.02845	3.1
67.05420	1.1
69.03349	14.3
69.06973	3.6
69.22104	0.7
69.45806	0.6
70.06511	20.2
71.04904	13.5
72.08047	0.9
73.02818	3.0
74.05983	1.5
74.09621	3.8
75.05415	0.6
79.05406	0.9
81.03336	21.8
81.06982	6.3
83.04877	1.0
84.04446	5.7
84.04855	0.8
84.08054	4.6
85.02826	79.8
86.03194	0.7
86.09634	1.3
91.05379	1.7
95.04888	0.9
95.08557	0.9
97.02823	19.8
97.06445	0.9
98.97552	1.2
99.04385	59.5
99.08017	22.5
102.05453	1.1
103.03876	100.0
105.06922	0.8
107.04881	1.7
109.02820	19.7
110.07104	4.1
112.08658	1.0
116.98580	3.0
117.09071	4.6
120.08008	2.9
120.32569	0.7
127.03874	96.8
128.04155	0.9
129.10201	1.5
134.99586	1.4
135.10191	1.3
136.07515	3.3
145.04945	25.1
149.09628	0.8
151.03824	1.0
163.05989	23.5
166.34026	0.8
177.00728	1.2
187.05965	4.6
205.07108	2.8
219.01685	1.1
237.02742	1.6
239.06844	0.9
243.01585	1.1
271.08182	3.0
289.09143	1.7
303.14209	5.8
307.10120	3.2
373.39542	0.8
387.16467	3.2
441.13171	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2244
Annotation	Val Trp His
Peak:m/z	Relative Intensity
54.31287	7.2
57.38419	7.3
63.15164	7.6
67.05418	8.6
76.46038	8.2
76.56283	8.0
78.81418	9.2
84.23860	8.6
85.02777	7.9
86.09611	14.4
93.06986	12.9
93.31229	9.4
95.08513	11.9
105.06971	11.2
107.08542	14.0
121.10114	12.9
204.26814	10.1
430.04178	9.3
441.22406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	0.4
53.03894	0.6
55.01803	2.3
55.05182	0.6
55.05449	11.6
56.04409	0.3
57.03368	4.7
57.07008	1.4
59.04937	0.7
61.02851	2.6
69.03000	0.6
69.03346	9.2
69.06985	100.0
69.47120	0.3
70.06497	1.8
70.07327	0.8
71.01269	1.4
73.02825	10.8
75.52023	0.4
81.03339	1.9
83.08528	1.4
84.04426	0.5
85.02824	18.8
86.09594	0.3
87.04411	0.5
91.03905	0.4
92.10914	0.5
92.92401	0.3
97.02826	11.7
99.04402	0.8
107.17713	0.3
109.02832	1.5
111.11665	28.7
112.12026	0.6
115.03882	2.4
116.99908	0.3
127.03870	3.6
129.12715	19.3
133.04956	1.8
145.04938	1.9
147.04401	0.5
147.13762	5.3
163.06042	0.5
175.03922	0.5
188.12526	0.3
193.04935	2.6
207.06532	0.4
241.06917	0.4
259.07996	0.5
263.22018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2457
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
53.47087	0.5
54.07560	0.4
54.81541	0.4
55.01799	0.5
67.05389	0.5
68.61430	0.5
69.06989	0.7
70.06520	0.7
73.02824	0.7
83.08565	0.6
84.08060	2.1
85.02822	1.1
86.09601	0.5
91.05420	1.3
91.56382	0.5
92.10902	1.1
114.78181	0.4
116.98469	0.5
119.04890	1.1
119.08559	0.7
120.08044	0.9
133.10104	0.8
147.04414	5.8
260.15598	0.6
267.99152	0.5
329.42526	0.5
345.81168	0.5
392.94238	0.5
441.24490	100.0
442.24771	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	441.3726
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.75681	2.7
51.08509	2.4
55.05453	23.4
57.06996	5.2
64.58207	2.5
65.86256	2.7
66.02519	2.4
67.05429	28.2
68.23473	2.6
68.68806	2.3
68.70898	2.6
69.03383	2.8
69.06976	25.8
70.72776	2.6
72.08059	6.5
77.56164	2.4
79.05391	14.0
81.06979	81.8
83.08510	7.1
85.02766	3.2
86.89041	3.0
91.05391	12.0
93.06535	2.7
93.06971	43.3
95.04890	4.4
95.08533	100.0
97.10119	3.7
105.06984	33.9
107.08539	56.8
109.06522	3.2
109.10101	53.3
112.43437	2.5
119.08527	40.6
120.08018	5.5
121.10098	46.7
123.11649	16.9
129.06950	3.4
131.08519	11.1
133.10109	28.2
135.11617	28.7
137.13232	35.4
143.08554	5.9
145.10133	15.0
147.11693	20.0
149.13225	19.6
157.10095	5.8
159.11652	22.9
161.13190	18.3
163.14815	4.8
171.11671	5.4
173.13202	14.3
175.14738	18.7
177.16205	3.9
187.14761	5.4
189.16327	7.3
191.17912	5.0
201.16272	5.6
203.17880	6.6
213.16306	11.8
217.15781	4.0
227.17886	3.3
243.20940	5.3
271.23999	3.2
326.05951	2.9
393.35242	3.7
405.35233	3.7
423.36313	26.1
441.23773	6.6
441.37146	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	441.3726
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
54.81727	3.8
55.05443	15.7
57.84215	3.1
62.10222	3.5
62.34803	3.6
67.05418	33.6
69.06979	19.5
79.05399	14.6
81.06969	48.7
83.08563	4.7
91.05408	16.6
93.06961	41.5
95.08528	100.0
97.10091	3.5
105.06958	33.8
107.08540	64.2
109.10123	47.6
111.07994	12.6
119.08536	49.6
121.10106	57.5
123.11694	17.3
125.87859	3.5
131.08536	14.2
133.10100	32.0
135.11690	30.8
145.10120	18.8
147.11687	22.4
149.13255	20.2
159.11606	17.3
161.13243	27.4
163.14755	16.7
173.13181	14.7
175.14767	16.9
177.16362	7.3
187.14732	6.6
189.16318	7.4
190.05623	4.1
191.86205	4.0
192.23254	4.7
201.16278	8.0
203.17982	16.6
215.17924	14.8
217.19334	4.5
221.18858	6.4
229.19412	6.8
254.02202	4.8
423.36240	26.1
441.37073	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	441.3726
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.00244	1.2
53.03883	1.4
53.83822	1.0
55.05453	10.9
57.07010	6.0
67.05431	25.3
69.06994	18.2
77.47350	1.1
79.05409	12.2
81.06981	48.7
83.04874	1.1
83.08530	8.2
91.05410	15.6
92.10182	2.3
93.06436	2.2
93.06976	41.4
95.04906	1.7
95.08539	100.0
97.10079	4.4
99.08038	2.0
105.06982	38.7
107.08546	62.3
109.06434	1.6
109.10114	46.3
111.08029	18.1
117.06982	2.1
119.08537	43.4
121.09213	2.0
121.10101	46.8
123.11669	14.3
125.09589	1.8
131.08545	13.5
133.10103	35.9
135.11674	26.7
137.13219	1.8
139.11157	5.4
143.08508	2.0
145.10124	18.6
147.11674	23.4
149.13240	21.5
151.11229	2.3
157.10112	4.5
159.11674	20.9
161.13219	20.6
163.11186	1.8
163.14787	22.9
171.11635	2.7
173.13234	13.6
175.14825	16.6
177.16356	10.0
184.07341	2.4
185.13327	1.7
185.72847	1.2
187.14798	10.3
189.16328	12.2
191.17931	4.7
195.17319	1.8
199.14816	5.0
201.16377	10.8
203.17960	17.6
207.17374	5.0
213.16336	1.5
215.17970	12.3
217.19429	5.4
219.17422	2.8
221.18967	6.4
227.17874	1.7
229.19463	12.2
233.18927	2.6
243.21001	2.5
247.20544	6.0
255.04285	1.3
255.21141	1.4
257.22617	2.5
261.22348	1.4
269.22672	2.7
275.23688	1.5
283.24176	1.3
316.98972	1.3
369.31601	1.6
388.67465	1.4
405.35074	2.1
423.36179	23.2
439.00885	1.5
441.37057	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	441.3725
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
51.19188	2.6
53.03899	2.9
55.05451	12.9
55.81311	3.0
57.83800	2.5
64.52290	2.7
65.47843	3.1
67.05424	21.8
69.06992	16.9
71.04945	2.7
75.59171	2.7
79.05407	16.8
81.06969	53.4
83.08562	6.1
86.09612	4.5
91.05404	15.3
93.06969	38.8
95.08532	100.0
105.06968	40.2
107.08549	51.6
109.06426	5.7
109.10106	57.5
111.08031	18.2
117.06949	3.6
119.08533	50.4
121.10101	52.2
123.11661	15.9
131.08498	6.6
133.10103	45.1
135.11650	29.7
139.11156	6.9
145.10123	20.8
147.11684	31.2
149.13240	20.4
159.11670	13.1
161.13213	19.6
163.14796	14.9
173.13229	14.9
175.14656	8.9
177.00658	3.6
177.16374	7.3
184.07286	7.9
187.14795	5.6
189.16359	13.1
191.17796	5.6
201.16322	7.3
203.17940	16.1
205.70229	3.9
213.16403	3.5
215.17896	13.0
219.17499	3.9
229.19505	17.7
233.18980	3.5
243.21106	4.0
247.20303	3.4
257.22464	3.2
423.36050	26.5
441.37079	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	441.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	18.1
55.26469	4.1
57.03365	5.1
57.07008	23.5
58.30421	3.9
67.05424	27.8
69.06989	20.3
71.08542	8.2
79.05410	19.4
81.06977	58.0
85.10085	5.0
86.09638	31.8
91.05425	7.0
93.06963	34.0
95.08542	100.0
96.08895	6.0
104.10666	5.5
105.06963	24.9
107.08537	52.7
109.10102	44.5
111.08041	6.7
112.99985	54.8
119.08547	37.3
121.10128	42.8
123.11656	8.9
124.99968	8.6
131.08575	8.6
133.10117	29.6
135.11676	20.5
145.10129	10.5
147.11653	18.4
149.13222	20.0
159.11661	7.1
161.13232	7.9
163.14761	17.5
169.02563	37.4
173.13318	6.4
175.14798	10.8
184.07343	25.7
189.16370	8.4
201.16405	8.0
203.17896	9.3
207.17114	4.7
215.17970	9.5
229.19385	17.3
313.27316	18.6
423.36160	11.1
441.37616	8.2
467.39221	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	442.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	5.1
54.63990	0.8
54.81704	0.8
55.01799	2.0
57.03104	1.2
57.03377	33.3
59.04942	1.0
61.02620	0.8
61.02864	16.6
67.05418	1.2
69.03355	38.6
69.06990	1.1
70.03698	0.8
71.01283	1.9
71.04892	1.3
73.02834	59.4
74.28719	0.8
81.03345	8.9
81.06970	1.5
83.04898	1.0
84.04413	1.2
85.02834	100.0
85.38061	0.8
86.09612	0.9
86.74258	0.9
87.04389	4.4
91.03876	4.4
91.05399	0.9
93.06970	1.5
95.04891	7.5
95.08540	1.5
97.02235	1.6
97.02835	44.5
97.03456	1.9
98.03143	1.2
99.04383	2.1
101.02350	1.2
103.03928	0.9
105.03346	44.6
105.06954	1.1
107.08483	1.4
109.02820	8.0
110.28395	1.0
115.03889	16.6
117.05447	0.9
121.10045	1.0
127.03891	21.5
133.04964	1.7
145.04950	25.7
150.07674	1.3
163.06006	5.0
216.01851	0.9
223.05945	1.3
241.07013	1.8
243.46841	1.0
293.19547	1.2
312.28366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78166	0.6
53.03883	1.3
55.01809	8.3
57.03373	17.0
57.07016	0.9
59.04926	1.0
61.02859	14.3
69.03349	33.6
69.06976	1.4
71.01269	5.0
71.04922	1.0
71.53348	0.5
72.32848	0.6
73.02829	74.0
81.03339	5.7
85.02825	100.0
86.03159	0.8
87.04399	5.1
91.03882	3.7
92.11019	0.7
97.02819	48.6
99.04380	4.4
100.11183	0.9
101.02299	1.0
103.03895	3.7
109.02837	7.9
111.04375	1.2
113.64349	0.6
115.03876	18.2
119.73321	0.6
127.03873	25.4
133.04938	18.4
145.04929	23.9
150.07588	0.8
163.05968	10.8
193.04832	0.7
207.03580	0.6
214.86861	0.7
217.07138	0.9
223.05933	3.6
241.07042	3.2
259.08084	6.1
277.09155	1.1
295.10184	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09938	1.7
55.01814	9.5
55.05455	2.5
57.03375	23.1
61.02850	17.6
69.03348	36.6
73.02827	78.9
74.18053	1.8
75.01282	1.7
75.38786	2.0
75.68443	2.0
79.05417	3.3
81.03345	9.9
81.06955	2.6
83.08530	2.1
85.02824	100.0
86.09603	2.2
87.04382	3.0
91.03873	3.1
92.10257	5.4
97.02818	49.2
99.04368	2.1
105.03328	8.6
107.08530	3.7
109.02819	14.0
115.03878	16.7
115.21668	2.0
119.08543	2.6
127.03882	25.0
133.04878	20.3
139.15353	2.2
145.04951	26.8
163.05997	9.0
171.60591	2.0
241.07092	2.4
247.13187	2.2
255.06592	4.4
277.09036	2.5
358.24365	2.1
404.49655	2.8
442.25256	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	442.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	2.8
56.96511	1.6
57.03376	9.5
57.07012	36.3
67.05428	6.0
69.06985	3.0
69.24206	1.3
71.04893	1.2
71.07279	1.1
71.08546	17.0
76.29545	1.1
81.06963	9.4
82.92442	1.1
83.08529	5.3
85.10101	11.9
86.09617	8.2
94.65417	1.3
95.08521	13.0
103.36251	1.1
108.97362	1.2
109.10075	5.4
111.21661	1.4
112.99963	100.0
124.99941	1.8
131.01057	1.4
169.02570	62.9
184.07294	2.7
211.48320	1.3
233.77885	1.2
313.27325	37.4
314.27417	1.3
383.17001	1.3
407.25351	11.4
419.25766	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01555	0.3
51.02312	0.5
51.14064	0.3
53.03891	5.5
55.05441	0.4
55.42195	0.3
60.39661	0.3
61.02863	0.4
67.05389	0.4
67.43359	0.3
77.03842	0.7
81.03318	0.6
81.06995	0.4
85.02819	0.5
95.04898	19.2
95.08529	0.4
97.02806	0.6
105.03336	100.0
105.04476	3.6
106.03674	2.0
107.08460	0.4
109.61670	0.3
121.10140	0.4
145.95412	0.4
154.87837	0.4
206.20985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69712	1.6
51.59595	1.6
53.03883	2.4
55.01807	4.3
55.05434	3.7
56.04982	2.4
56.96474	1.4
57.03369	2.8
57.58658	2.1
58.11754	1.5
61.02822	1.7
67.05420	10.2
69.03345	20.2
69.06995	3.3
70.06517	34.6
71.04893	4.1
75.25354	1.8
75.55991	1.7
79.05405	9.8
81.03324	4.8
81.06949	4.0
83.04887	8.0
84.04433	14.7
84.08063	42.1
85.02831	18.9
86.09632	21.6
88.03902	2.0
89.11562	2.0
91.05402	28.3
93.06956	13.4
95.04916	16.5
95.08533	2.6
97.02834	8.5
97.06471	40.5
99.04382	4.8
101.77807	2.3
102.05434	3.6
103.03860	8.2
103.05358	3.1
105.06971	18.4
107.04884	21.6
107.08542	17.7
107.49905	1.9
109.02837	4.3
109.06451	4.8
110.07127	3.9
111.04372	7.7
111.08022	10.7
117.06973	3.0
119.04881	4.9
119.08530	22.2
120.08070	19.3
121.06422	13.7
121.10199	2.9
123.04384	3.4
123.08032	4.3
127.03873	8.9
129.06961	7.4
129.10234	16.0
130.07765	3.2
131.08556	23.2
133.06459	2.9
133.10100	10.3
135.08018	100.0
136.07553	11.5
137.05956	20.8
139.07524	21.8
141.06931	2.6
142.07722	3.1
143.08482	9.1
144.09303	3.4
145.06438	4.9
145.10100	10.4
147.08012	12.8
149.05873	2.8
149.09612	4.3
151.03886	2.7
151.07541	3.7
156.09297	19.9
157.10077	4.7
159.08032	22.3
159.11652	25.0
160.08714	3.0
161.09583	2.1
161.13237	2.9
163.07495	24.7
166.07748	3.6
169.10008	2.2
171.11662	14.8
172.08794	15.2
173.09598	29.1
175.07494	2.9
175.11130	4.6
177.08990	4.5
184.08765	7.6
185.09441	8.1
187.11163	48.0
189.09032	2.6
189.12637	4.9
191.10672	2.4
197.09538	3.0
199.11122	24.6
203.10611	13.5
205.12173	3.4
212.08217	4.0
215.10667	33.2
217.12233	11.3
227.10529	13.5
233.11650	58.1
245.11703	42.3
263.12708	25.3
443.15350	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00233	0.4
53.03875	0.6
54.33821	0.3
54.81451	0.5
55.01797	1.7
55.05447	1.7
57.03358	0.6
61.02851	0.6
65.03850	0.5
67.05418	1.8
69.03345	7.0
69.06959	0.4
70.06506	0.5
71.04922	0.6
79.05401	2.7
81.03332	1.6
81.06962	2.2
83.04895	1.0
84.08062	0.5
85.02830	5.9
86.09596	0.5
87.04391	0.7
91.05420	4.3
92.05639	0.5
93.06964	3.7
95.04899	3.6
95.08523	1.8
97.02814	3.5
97.06470	4.1
99.04376	1.0
105.06978	5.9
105.28531	0.4
107.04919	0.6
107.08527	6.1
109.02821	2.6
109.06487	3.2
111.04393	4.7
113.02277	0.7
115.05414	1.6
117.06954	3.4
119.04903	2.2
119.08529	8.3
120.08067	0.8
121.06450	4.6
121.10097	0.6
123.04395	2.3
123.08002	4.0
127.03879	0.8
128.06181	0.9
129.06969	2.0
129.90320	0.5
130.07727	0.6
131.08513	5.4
133.06490	0.9
133.10088	3.0
135.08015	100.0
136.08388	0.8
136.22417	0.4
137.05948	1.6
139.07489	0.8
141.06963	2.4
142.07767	2.7
143.08534	5.2
144.05658	0.5
144.09328	3.3
145.06473	2.4
145.10107	3.3
147.04385	0.7
147.08076	5.1
147.11636	1.0
149.05963	0.6
149.09607	0.8
151.03949	3.8
151.04941	0.7
151.07515	3.4
153.06915	0.6
154.07724	1.8
155.08513	1.6
156.09328	7.3
157.10129	4.5
158.07259	3.0
159.08026	7.7
159.11667	15.4
160.08795	0.6
161.05957	2.0
161.09561	2.7
161.13136	0.5
163.07487	2.3
167.07002	0.5
167.08432	0.6
167.47798	0.5
169.10054	3.8
171.08015	0.9
171.11623	4.8
172.08798	11.4
173.09576	21.3
173.13222	0.5
174.06786	0.7
174.10060	0.6
175.07507	1.0
175.11086	2.9
181.10030	2.2
184.08835	2.9
185.09583	2.3
187.11140	45.4
188.08232	0.9
189.05518	0.5
189.09021	0.7
189.12675	2.1
193.04912	5.2
194.05276	3.5
195.05374	3.2
197.09540	0.7
199.07471	0.7
199.11165	10.2
202.09758	0.5
203.10596	11.3
209.09544	0.8
212.08275	2.0
215.10637	22.7
217.08598	0.5
217.12184	6.4
227.10657	5.0
233.11674	28.5
237.14250	0.5
245.11653	17.3
246.12401	0.5
246.14839	2.7
263.12701	21.4
308.38138	0.4
446.31342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27890	0.3
60.06346	0.5
61.69570	0.3
65.76714	0.4
81.06986	0.4
91.14191	0.5
109.10079	0.6
155.51338	0.4
203.25801	0.5
330.84070	0.5
338.99384	0.4
423.04514	0.5
443.33344	100.0
444.33810	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	443.3516
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
51.25475	2.8
53.73855	2.1
55.93834	2.1
56.28228	1.9
57.07008	4.2
67.05439	2.1
69.06984	10.3
71.08541	2.7
76.99409	2.5
79.05399	3.6
81.06983	5.3
85.69658	2.6
91.05372	2.9
92.63869	2.7
93.06992	4.2
95.08537	10.0
105.06998	5.0
107.08508	4.1
121.06404	2.9
133.10127	5.2
139.87971	2.7
143.08650	2.7
145.10085	5.6
169.10083	2.7
171.11711	3.4
173.09624	3.1
183.11720	5.3
191.93390	2.4
216.66736	2.9
225.16315	3.5
261.18503	4.5
275.16351	3.0
317.24664	3.8
328.53906	3.0
426.36566	2.8
443.34454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28899	1.2
55.01800	1.7
55.05466	9.5
55.05684	1.2
56.04968	1.4
56.96509	1.2
57.03353	1.3
57.07004	1.4
60.04464	1.3
67.05420	2.9
69.03352	14.9
69.06978	2.8
70.06510	12.3
71.04903	2.9
72.08070	35.0
79.05400	8.0
81.03336	2.4
81.06967	5.2
83.04912	13.6
84.04415	6.8
84.08072	2.5
85.02831	11.1
85.06476	2.8
86.09627	14.7
91.05397	8.5
92.10806	1.7
93.06975	14.1
95.04884	3.0
95.08534	1.5
97.02798	10.2
99.04423	1.9
102.05473	3.2
104.10686	1.2
105.03356	1.5
105.06973	8.3
107.04902	1.4
107.08566	15.3
109.02843	15.3
109.06503	10.6
110.07182	1.7
111.04379	8.6
112.08726	1.8
115.55785	1.2
117.06984	5.8
119.04894	1.6
119.08540	17.7
120.08058	2.7
121.02776	2.1
121.06461	28.8
121.10059	4.9
123.04444	1.8
123.08041	2.3
123.29917	1.4
127.03872	3.1
130.06514	2.1
131.08536	8.6
133.10072	8.2
135.07057	2.5
135.08018	42.8
137.05949	6.3
138.09068	1.4
143.08556	5.1
143.11763	1.4
144.09352	6.0
145.06441	3.1
145.10136	6.2
147.08049	2.6
149.05945	6.4
149.09613	12.1
151.03818	2.2
151.07559	2.3
151.11145	1.7
157.10034	1.7
158.10892	7.3
159.08034	6.1
159.09193	1.6
159.11667	20.5
161.09656	5.4
163.07512	20.0
163.11147	3.0
168.07347	1.5
170.10875	2.6
171.08009	1.6
172.08838	7.0
173.09557	14.1
173.13237	31.2
177.05429	1.4
178.05832	2.3
183.11650	7.2
185.13243	2.6
186.10399	12.1
187.11148	63.3
191.06978	12.0
195.06474	3.3
196.06854	1.5
196.08846	2.7
201.12708	46.5
203.14091	2.3
204.97020	1.5
205.12213	12.2
211.11168	6.4
219.13753	9.0
229.12195	42.5
247.13257	100.0
248.13602	2.1
265.14310	12.8
292.33511	1.5
309.49963	1.4
375.23514	1.7
418.30777	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	2.0
55.05442	9.0
56.04959	3.3
57.07022	1.6
61.02858	2.0
62.08716	1.6
65.03841	2.8
67.05418	12.6
69.03342	21.1
69.06995	2.8
70.06199	1.9
70.06518	35.1
71.04898	2.7
74.05977	4.2
79.05408	7.2
80.95978	1.6
81.03342	2.0
81.06976	3.6
83.04892	4.1
84.04424	11.9
84.08059	3.9
85.02822	22.1
86.09621	10.4
91.05391	21.1
93.06990	21.3
95.04895	27.2
95.08521	9.8
97.02816	7.2
97.06457	3.4
99.04370	3.1
103.03836	3.4
105.06968	39.4
107.04884	1.8
107.08534	11.5
109.02803	2.9
109.06460	15.0
109.10120	2.9
110.01369	2.0
110.07101	3.7
111.04380	15.4
111.08102	1.9
113.05974	4.3
116.07037	11.1
117.06982	3.9
119.08537	49.4
121.02846	1.7
121.06461	25.3
121.10089	7.5
123.08021	15.3
124.07588	3.3
124.13487	1.9
127.03887	2.2
128.06168	2.0
129.06960	8.6
129.10156	2.1
131.08536	21.2
133.06454	3.1
133.10100	13.2
135.08026	40.1
137.09576	7.8
139.03850	3.1
139.07506	2.7
141.06914	3.3
143.08545	9.9
145.06454	7.9
145.10112	15.9
146.07181	2.2
147.08015	22.8
147.11690	4.2
149.09563	9.0
153.06885	2.4
155.08447	2.5
156.09291	8.4
157.10104	12.4
158.07199	10.8
159.08031	22.3
159.11649	21.0
161.09579	22.5
163.07440	2.5
165.09065	12.0
168.09375	3.5
171.08005	2.4
171.11639	10.1
172.08759	12.3
173.09552	8.8
173.13210	12.7
175.07500	27.4
175.11160	20.0
183.11652	4.5
185.09593	2.9
187.11157	15.9
189.09114	9.8
189.12662	8.7
193.08575	8.9
196.08762	4.4
199.11185	13.3
201.12624	19.3
203.10623	18.6
211.11122	8.4
217.12138	9.8
219.13680	2.1
221.04729	2.3
229.12239	12.7
232.33722	1.9
235.13281	2.2
247.13278	33.2
247.54552	1.6
265.14307	100.0
339.11081	2.5
340.11295	1.9
430.73050	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	445.2121
Annotation	Aurantiamide acetate
Peak:m/z	Relative Intensity
53.03881	1.1
54.59328	0.2
56.04972	0.3
58.01340	0.2
63.92068	0.2
68.82262	0.2
77.03806	0.3
91.05402	20.4
92.10288	0.3
95.04897	4.2
98.97522	0.2
100.36539	0.2
105.03334	100.0
106.03661	1.0
115.05421	0.9
116.98555	0.4
117.06966	22.5
118.07320	0.4
134.09621	7.1
134.99657	0.4
137.05902	0.7
152.10667	1.0
153.00800	0.2
166.65776	0.2
168.60718	0.2
177.09087	2.3
184.07278	0.3
194.11732	14.7
224.10674	10.9
235.02907	0.3
252.10098	1.9
253.03850	1.2
385.19220	0.3
404.17117	0.3
429.11755	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	446.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17841	0.3
52.46692	0.3
55.03434	0.4
56.42596	0.4
56.57400	0.4
60.64575	0.3
63.51956	0.4
65.03864	2.8
65.73225	0.4
70.42429	0.5
96.04430	0.4
105.03322	0.5
119.08471	0.6
121.02766	0.9
124.03937	0.7
131.04866	0.7
139.03864	2.3
145.08510	0.4
147.04375	0.5
149.02313	100.0
149.03354	4.2
150.02602	2.0
175.03853	1.9
177.05424	1.1
193.04924	87.7
194.05295	3.2
207.09161	0.7
209.63040	0.5
213.98769	0.5
219.06403	2.0
225.05347	1.7
225.10124	1.8
237.07530	18.2
249.79442	0.5
263.93036	0.4
269.04395	1.9
281.10181	1.0
297.03772	3.5
313.06918	4.0
322.73083	0.5
341.06512	13.3
342.06647	0.7
348.18954	0.5
359.07535	9.5
385.09061	39.3
386.09286	2.3
403.10196	5.4
413.41776	0.5
429.11707	76.2
430.12024	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	446.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	0.6
55.01804	1.1
55.90150	0.2
56.04953	0.4
57.03358	0.5
58.83165	0.3
58.92006	0.3
59.06056	1.0
60.04466	0.3
61.02869	0.3
61.59933	0.2
69.03355	2.3
69.06960	0.4
69.90289	0.3
70.06509	5.1
71.04905	0.6
72.08074	0.4
73.02814	1.3
81.03336	3.2
82.41875	0.3
83.04881	0.3
84.04419	1.5
84.08055	1.0
85.02824	5.7
86.09624	2.2
87.00735	2.4
91.05377	0.5
93.06984	0.3
94.06493	1.3
95.04890	0.5
97.02815	1.5
98.05973	0.4
98.45702	0.3
99.04383	1.4
102.05461	0.3
103.05399	38.4
105.01793	0.6
105.06937	0.4
107.04923	0.4
108.04384	0.3
109.02829	1.8
110.07134	1.1
117.01810	0.5
119.04877	0.4
120.08039	0.4
122.05972	0.5
125.05961	0.5
125.09577	1.7
126.05450	0.4
127.03841	2.5
129.01793	0.3
129.10300	0.2
131.04889	100.0
132.05212	1.8
132.08070	0.3
133.10068	0.3
138.05472	0.3
145.04912	0.4
147.04349	1.0
151.03867	3.1
152.04190	1.4
155.36745	0.3
158.02693	0.4
159.02832	1.1
159.09166	1.8
161.09601	0.3
162.05487	0.4
163.07501	21.8
164.07880	0.4
175.11841	0.3
180.10167	1.1
194.40527	0.3
197.08032	1.0
198.08328	1.1
201.10342	0.3
223.06241	0.3
257.26334	0.3
274.33417	0.3
283.52701	0.3
356.50693	0.3
411.96558	0.3
437.42990	0.3
446.16708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	0.0
60.05579	0.0
65.03862	0.0
66.96358	0.0
68.10204	0.0
68.99706	0.1
70.06499	0.1
79.05441	0.0
80.94392	0.0
85.02846	0.0
91.05388	0.1
95.04903	0.0
97.02819	0.0
100.62129	0.0
103.05401	1.6
105.03307	0.0
107.01249	0.0
107.04898	0.1
108.01997	0.1
109.02808	0.0
111.04379	0.1
115.05389	0.0
118.04083	0.5
119.04910	0.3
120.39445	0.0
121.02827	0.2
121.06436	0.0
124.01480	0.2
125.02283	0.2
131.04893	3.6
132.05185	0.1
133.02788	0.2
134.03590	0.1
135.00667	0.0
135.04366	0.2
139.03862	0.4
141.05344	0.0
141.06972	0.5
145.02826	0.9
145.06505	0.0
147.04312	0.0
151.03862	0.1
152.01019	0.5
152.06183	0.0
153.01820	0.0
157.06430	0.1
158.07233	0.1
161.02267	0.2
163.03870	0.2
163.07500	0.8
167.03365	0.9
168.05656	0.7
169.06450	1.7
172.05167	0.0
183.04340	0.0
183.08037	0.0
185.05937	0.2
186.06718	0.3
187.07478	0.0
196.05173	0.9
197.05937	3.2
198.06773	0.1
200.04749	0.1
201.05283	0.0
201.09215	0.0
211.07610	0.1
213.05368	0.4
214.06223	1.1
224.04594	0.2
225.05421	4.7
226.06282	0.3
229.08554	4.6
239.06961	0.1
241.04929	0.3
241.08633	0.1
242.05687	7.2
243.06245	0.1
252.04143	0.2
253.04866	0.4
254.05722	0.3
255.06358	0.0
257.08035	1.0
267.06396	0.2
269.04333	0.3
270.05170	21.8
284.06644	0.1
285.07513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18681	1.1
58.06527	1.8
64.00446	1.3
68.51410	1.4
69.03350	14.0
81.03336	1.5
85.02824	2.8
86.05988	32.3
86.09621	8.3
87.04395	95.4
90.05485	6.2
104.07040	100.0
110.85694	1.5
161.02928	1.7
165.72760	1.4
166.69351	1.7
242.31905	1.5
243.16963	2.6
287.33548	1.5
298.51532	1.6
310.21204	1.4
452.30273	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73716	0.8
51.76640	0.8
52.28458	0.8
55.01808	1.8
55.03212	0.8
57.03369	1.7
61.02848	4.2
67.05432	1.3
69.03355	9.5
69.06990	100.0
70.06505	5.9
71.04932	0.8
73.02821	1.3
79.58420	0.9
81.03324	4.5
83.08511	0.9
84.04425	3.9
84.08052	4.1
84.13390	0.9
85.02827	26.8
86.05977	1.1
86.09616	2.3
87.04398	3.5
87.08035	73.8
88.17850	1.1
90.05464	4.6
91.03871	1.1
91.05391	1.4
97.02842	10.3
99.04383	1.6
102.03714	1.5
104.07020	1.2
105.09085	35.3
109.02817	4.1
126.05491	1.2
127.03885	6.9
129.10181	1.0
136.06116	1.0
145.04909	4.3
147.04387	5.9
163.05962	1.4
177.84523	1.1
178.56078	1.1
219.08011	1.6
228.03244	2.0
266.14566	1.3
267.14417	1.2
354.54901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35425	0.6
53.03898	0.6
55.01805	1.4
55.05440	4.0
57.03395	0.7
57.07025	0.6
59.04922	0.9
61.55974	0.7
62.35941	0.6
65.15523	0.6
67.05427	3.9
67.53968	0.5
69.03352	32.8
69.06984	3.0
70.06522	11.9
71.04909	0.7
72.04485	0.7
72.08060	2.5
76.02139	4.4
77.03825	0.7
77.14657	0.6
77.56637	0.6
79.05415	9.0
81.06976	15.3
83.04903	3.5
84.04424	3.8
84.08076	0.9
85.02824	4.0
86.09613	1.2
87.04391	4.8
90.05494	1.4
91.05389	11.5
92.10867	1.3
92.33372	0.6
93.06978	12.1
95.04896	5.1
95.08542	1.6
97.02831	1.6
97.06482	0.8
105.03333	3.9
105.06987	25.3
107.04905	3.2
107.08543	9.1
109.06441	6.7
109.10101	3.4
110.07148	1.3
111.04397	6.4
115.05428	1.1
116.01657	1.6
117.06956	4.7
118.20992	0.7
119.04866	1.1
119.08539	20.1
120.08039	1.2
121.06489	5.3
121.10101	4.1
123.08029	2.8
125.05958	0.8
125.09573	1.5
127.03836	1.1
128.06192	3.4
129.06975	5.0
130.07756	1.2
131.08551	8.2
133.06465	3.6
133.10100	40.4
134.10455	0.8
135.08003	8.6
137.05972	2.8
137.09619	5.0
141.06931	0.8
142.07774	4.3
143.08549	12.6
145.06448	1.3
145.10088	13.6
146.07243	3.4
147.08025	13.6
149.09567	1.3
153.06978	1.3
155.08510	3.6
156.09360	4.9
157.06458	0.8
157.10114	13.6
158.02681	7.3
158.07329	0.8
159.08014	2.9
159.11673	2.7
160.08873	0.8
161.09595	20.6
161.13199	0.9
163.07465	2.9
163.11179	7.0
165.06999	6.4
167.08456	1.2
169.10054	1.2
170.10870	15.0
171.08018	6.2
171.11658	6.9
172.08774	1.6
173.09576	6.7
174.10326	1.0
175.07509	5.0
176.03720	3.6
180.09314	14.2
183.08014	5.7
183.11670	1.4
185.09541	2.7
185.13263	16.6
189.09033	1.0
189.12704	4.7
193.06400	1.2
195.11639	24.0
197.11737	3.5
198.10434	12.6
198.12071	1.7
203.14302	4.4
213.12718	62.5
214.13164	1.0
225.05435	0.7
231.13766	100.0
232.14082	3.3
233.05867	0.7
242.05797	1.4
249.14778	7.3
267.09427	0.7
270.05176	9.6
285.07538	24.2
304.12088	0.8
317.15341	1.1
343.08237	0.7
423.68115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40823	0.3
55.01815	1.4
55.05449	2.3
57.03367	2.6
61.02843	1.5
62.79803	0.3
67.05419	0.4
69.03351	8.1
70.06524	0.5
70.37100	0.3
71.04924	0.5
79.05405	0.6
79.81483	0.3
81.03345	0.8
81.06982	0.3
83.04891	3.3
85.02830	3.2
87.04399	0.4
91.03881	0.6
91.05410	6.7
93.06982	0.5
99.04373	0.8
103.03950	0.5
104.06242	0.3
105.06999	2.5
107.08538	32.7
109.06475	0.6
111.04380	2.3
117.06962	1.9
119.08540	100.0
120.08834	0.5
129.05441	2.0
133.06439	2.6
135.08025	27.7
147.06520	1.6
167.17317	0.4
173.09573	0.4
184.07332	0.8
228.66991	0.4
243.39720	0.4
281.13742	3.0
415.21103	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	447.128
Annotation	Glycitin
Peak:m/z	Relative Intensity
53.03867	0.3
55.01802	0.3
57.03376	1.1
61.02863	1.2
68.29498	0.1
69.03355	4.0
71.04897	0.2
73.02798	0.9
81.03331	1.1
85.02838	5.7
87.04360	0.6
91.05383	0.2
93.06931	0.1
97.02325	0.1
97.02830	2.2
99.04343	0.3
101.02295	0.2
101.47401	0.1
103.03850	0.1
105.03307	0.2
109.02817	0.7
117.06960	0.1
118.04098	0.5
119.04877	0.2
121.02821	0.2
121.10125	0.2
125.02271	0.2
125.68447	0.1
126.26805	0.2
127.03835	0.6
131.08565	0.1
133.02832	0.2
139.03876	0.7
141.06984	0.5
141.22578	0.1
145.02850	1.0
147.04448	0.1
151.03865	0.2
152.01018	0.5
161.02310	0.2
162.89940	0.1
163.03891	0.1
163.11133	0.2
167.03351	1.1
167.10538	0.2
168.05656	0.8
169.06464	2.3
184.32616	0.1
186.06776	0.2
187.22070	0.1
196.05093	1.1
197.05937	3.5
198.06718	0.2
209.11766	0.2
213.05420	0.3
214.06100	0.9
220.32045	0.1
225.05464	5.4
226.06084	0.6
229.08575	4.8
239.07022	0.2
241.04771	0.2
242.05714	7.7
252.04196	0.3
253.04932	0.6
254.05672	0.3
255.06583	0.2
257.08014	1.6
267.06506	1.2
269.04514	0.2
269.07962	0.2
270.05182	22.5
271.05646	1.0
285.07532	100.0
286.07883	5.4
294.05093	0.3
300.06363	0.2
309.07526	0.6
327.08578	3.5
379.97986	0.2
447.12808	11.0
448.13098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1286
Annotation	Glycitin
Peak:m/z	Relative Intensity
53.68912	0.1
54.81382	0.1
64.68800	0.1
66.02136	0.1
85.13140	0.1
91.05384	0.1
92.10886	0.1
94.52091	0.1
99.06285	0.1
103.05391	0.1
105.03313	0.1
107.04831	0.1
111.04368	0.1
117.29514	0.1
118.04093	0.6
119.04884	0.2
121.02779	0.2
124.01520	0.3
125.02282	0.2
130.53354	0.1
131.04868	0.4
132.05193	0.2
133.02797	0.3
134.03625	0.1
135.04370	0.1
139.03856	0.3
141.06937	0.7
145.02811	1.0
151.03844	0.1
152.00966	0.5
157.06390	0.1
158.07214	0.2
161.02237	0.2
163.03789	0.2
167.03352	1.1
168.05650	1.0
169.06438	2.1
181.06479	0.1
185.05972	0.1
186.06650	0.4
196.05148	0.9
197.04233	0.1
197.05956	3.5
198.06494	0.2
213.05403	0.6
214.06207	1.3
222.25276	0.1
224.04630	0.2
225.05421	6.0
226.06053	0.5
229.08560	5.2
241.04886	0.3
242.05681	9.1
243.05937	0.2
253.04816	0.5
254.05676	0.2
257.08060	1.3
269.04297	0.2
270.05170	25.7
271.05515	0.8
285.07520	100.0
286.07861	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1282
Annotation	Sissotrine
Peak:m/z	Relative Intensity
54.81715	0.3
55.01777	0.2
55.05435	0.5
59.79387	0.2
65.03857	0.3
67.05428	0.8
69.03352	3.0
69.06980	0.3
70.06495	0.4
71.04875	0.3
72.08070	0.3
78.93774	0.2
79.05401	1.4
81.06954	1.3
82.00425	0.3
84.04416	0.4
85.02824	0.9
86.09614	1.1
91.05374	1.0
93.06965	0.6
95.04911	0.3
95.08528	0.6
100.11155	0.4
105.06955	1.5
107.01247	0.2
107.04897	1.0
107.08501	0.4
109.06429	0.3
109.10119	0.3
111.04365	0.3
115.13750	0.2
117.06999	0.4
118.04094	0.4
119.08530	0.4
121.06438	0.2
121.10085	0.3
123.04357	0.6
127.54114	0.2
128.06113	0.3
129.10120	0.3
130.06465	1.9
131.08521	0.3
133.06503	0.8
133.10066	0.4
134.99686	0.3
135.07915	0.2
142.07703	0.3
143.08551	1.0
145.10117	0.9
153.01790	1.0
157.10104	1.3
161.09607	0.2
165.06912	0.6
168.05684	0.9
169.06421	0.4
170.02069	9.1
170.10878	0.5
171.11621	0.3
175.07445	1.4
180.09302	1.0
181.06509	0.3
181.09888	0.2
183.08017	4.7
185.13269	0.6
186.13768	0.3
195.11650	1.4
196.05156	1.0
196.11937	0.3
197.05991	0.4
198.10304	0.6
202.04819	0.2
211.07527	3.9
213.05338	2.1
213.12708	4.1
214.06140	0.9
214.13054	1.4
222.65816	0.2
229.08562	8.8
231.13808	2.5
232.13988	0.9
239.06947	1.3
241.04811	0.4
242.05621	3.3
253.04921	2.5
257.07901	0.3
267.06598	0.5
269.00464	0.2
269.04388	3.1
270.05173	6.5
271.05316	0.2
285.07504	100.0
286.07809	4.3
301.15619	0.4
324.58466	0.3
349.28149	0.2
383.16891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13784	0.7
56.96504	75.7
59.35699	0.7
62.46382	0.6
74.97541	1.4
79.24380	0.7
84.83182	0.8
92.98582	0.8
109.58736	0.7
118.06490	7.3
130.06464	1.0
132.08038	5.9
144.08073	5.3
146.06003	18.5
147.06308	1.8
159.09140	1.0
162.97835	1.3
170.06020	0.9
174.02225	16.3
188.03757	2.0
188.07043	21.4
192.03305	94.3
204.03384	1.5
205.09686	5.9
206.04869	34.3
207.02086	1.5
208.02760	1.7
210.04367	40.9
215.04903	28.7
215.06850	1.5
216.03265	0.9
217.06491	18.2
220.02829	5.5
222.04356	10.0
224.05952	13.1
225.03116	1.6
226.03831	1.6
229.02933	1.0
231.04454	1.7
233.05943	45.1
234.04288	3.2
234.06451	1.2
235.07512	35.9
236.02313	1.4
236.05942	0.9
238.03793	6.3
240.05470	2.9
243.04410	5.4
245.05907	1.0
247.03874	5.6
249.05380	4.5
251.06961	1.6
261.05423	88.3
262.05869	1.7
265.04980	1.6
279.06479	100.0
280.06915	1.7
284.07071	3.7
316.06207	6.6
316.09348	0.9
334.07019	2.1
372.22903	0.8
386.11520	1.3
402.11118	11.5
430.10632	13.2
431.09735	0.9
447.13351	39.6
448.12061	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04966	1.2
57.34620	0.4
59.06062	12.1
60.04457	1.1
60.05319	0.9
60.05587	14.6
67.05419	0.7
69.06971	3.3
70.06512	62.0
71.04904	1.2
71.06848	0.8
72.08073	5.2
76.02151	0.9
82.06470	0.5
84.04438	6.1
84.08063	5.3
85.02814	1.4
86.09632	20.8
91.05364	0.8
97.02820	0.8
97.07600	1.2
99.04362	0.7
100.05027	0.8
102.05442	1.0
103.05405	1.2
103.23588	0.5
104.05719	0.8
105.06947	0.6
108.33339	0.6
110.07121	4.0
112.08674	7.3
113.07088	1.1
114.10220	4.5
115.08627	4.0
116.07040	16.9
118.06444	0.9
120.08002	0.9
127.03860	1.0
128.10683	0.7
129.10188	2.8
130.06506	15.7
130.09737	7.4
131.04875	3.6
131.08496	0.6
132.05225	1.4
132.08070	24.9
141.06512	0.7
142.06480	2.6
145.02814	0.9
146.06018	1.1
156.08055	0.9
158.09276	13.1
159.09154	100.0
160.07613	4.9
160.09462	2.7
163.07426	0.8
164.86263	0.7
169.07576	3.5
170.05968	10.3
173.12852	3.7
175.11865	22.3
177.05412	0.9
183.09142	3.7
184.07532	3.8
187.08638	9.0
188.07040	2.6
196.06976	0.7
198.08646	1.1
201.10220	39.3
201.12178	1.4
202.10536	0.7
211.08566	0.8
229.09616	7.1
237.13255	0.7
247.12918	1.3
299.14914	0.9
361.18954	0.7
385.19464	1.3
403.20813	52.0
404.21027	3.0
447.20172	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	447.22
Annotation	Trp Glu Ile
Peak:m/z	Relative Intensity
55.05440	0.8
59.46527	0.7
67.05427	1.0
69.03330	0.9
69.06979	0.9
69.38817	0.7
70.06509	1.1
79.05398	1.7
81.72633	0.8
85.02846	1.0
86.09624	1.1
91.05397	0.7
92.63837	0.6
93.06971	0.9
95.08545	1.4
100.11173	1.0
104.16140	0.7
105.03349	1.2
107.08546	0.8
109.06441	0.9
114.09099	0.9
123.08027	0.8
127.03899	1.2
133.20546	0.7
177.12735	0.8
253.20877	0.8
270.05301	0.8
275.07355	0.8
285.07397	5.0
335.09525	1.7
442.51187	0.8
447.21930	100.0
448.22375	4.3
450.61652	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2502
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
52.87334	0.9
53.03878	1.0
55.05453	15.2
57.03371	18.5
57.07013	2.0
59.04939	1.2
62.13819	1.0
67.05423	55.2
67.05785	2.1
69.06989	12.8
69.82365	1.1
71.04927	1.5
71.09538	1.1
79.05405	33.2
80.05762	1.3
81.06503	2.3
81.06973	53.9
83.08537	2.2
84.56131	0.9
85.06450	1.8
91.05395	20.3
93.06970	36.7
95.04854	2.2
95.08530	40.3
97.06477	2.8
97.10051	1.4
105.06963	11.2
107.08542	19.7
108.81668	1.2
109.06469	1.3
109.10101	12.6
112.99960	100.0
117.06942	2.0
119.08530	17.8
120.08842	2.6
121.10117	10.1
123.11671	2.0
123.58263	1.1
131.01016	1.9
131.08504	8.6
133.10062	5.3
135.08061	2.1
135.11629	7.7
145.10101	5.1
147.11656	1.9
149.13179	2.1
159.11632	2.3
161.13171	1.3
169.02570	24.3
173.13228	1.4
187.03633	4.5
193.04884	1.4
195.19574	1.2
200.02068	1.1
243.20998	4.6
261.22110	7.8
279.03207	1.5
317.24799	1.6
335.25723	56.2
335.29730	2.3
440.00320	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	14.7
57.03369	8.9
66.36362	3.7
67.05428	55.4
69.06975	7.8
79.05389	38.7
81.06976	53.8
84.69061	3.6
91.05388	16.0
93.06972	39.1
95.08541	47.6
105.06953	8.5
107.08526	29.0
109.10087	20.8
112.99971	100.0
117.06966	5.3
119.08560	5.7
121.10081	17.8
131.08504	6.8
135.11636	6.6
145.10077	8.3
147.11620	4.7
169.02603	20.8
173.13252	4.4
214.79631	4.3
220.21524	3.6
243.20920	19.0
261.22110	9.5
335.25732	38.8
467.32788	4.2
473.07175	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	447.3465
Annotation	Diisodecyl phthalate
Peak:m/z	Relative Intensity
50.35234	0.3
53.00230	0.5
55.01797	0.5
55.05446	1.4
56.87391	0.3
57.06741	0.5
57.07010	12.6
63.33927	0.3
65.03835	0.3
67.05410	0.5
69.06971	1.3
70.14637	0.3
71.08546	6.7
73.63651	0.3
75.17958	0.3
75.33980	0.3
79.05395	1.6
81.06999	0.7
83.01259	1.6
83.04912	0.6
83.08538	0.5
83.56645	0.3
85.10090	2.2
91.05370	0.4
93.06969	0.7
95.01264	3.2
95.04919	0.6
98.41167	0.3
99.00742	17.4
99.04381	3.4
107.04913	0.6
107.08527	0.6
109.02810	1.6
111.04388	0.4
111.92584	0.4
113.02320	3.1
114.37078	0.3
117.01814	3.4
121.06484	0.5
123.04414	0.5
125.05936	1.9
127.03905	0.5
131.03291	0.5
135.04388	1.8
135.08028	1.9
137.05965	1.6
139.07521	0.5
141.95859	0.4
149.05957	1.7
149.09615	0.6
151.07538	0.7
153.05428	7.1
153.19576	0.4
163.07489	4.3
177.09061	2.8
181.04915	25.2
182.05559	0.5
183.06477	0.8
191.07022	2.2
191.10596	1.4
195.06487	52.7
195.50272	0.3
196.06897	0.5
199.06030	1.8
205.08539	1.9
209.08051	29.3
223.09604	25.3
237.11140	18.0
251.12726	15.4
251.15215	0.7
265.14331	6.3
270.95773	0.4
279.15829	3.7
293.17316	2.6
307.19006	3.5
321.20615	3.3
335.22266	2.4
341.44290	0.4
349.23718	0.6
377.26880	0.5
391.28329	1.6
405.29779	0.4
447.34583	100.0
448.35028	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	448.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64508	1.0
53.03891	10.1
53.29365	1.0
54.12696	0.9
55.01814	14.0
55.05460	1.1
57.03371	12.4
58.43726	1.0
59.06059	6.3
60.04447	1.7
60.05578	8.4
61.02867	10.7
67.05418	1.3
68.15810	1.1
68.99716	4.8
69.03352	47.1
70.06512	22.9
71.04913	7.5
71.06845	1.6
72.08086	1.3
73.02830	11.9
74.05996	1.9
81.03341	45.1
84.04439	2.8
84.08067	4.7
85.02830	100.0
85.06464	1.3
86.03149	0.9
86.09637	5.7
87.00250	2.4
87.00761	49.9
87.04379	4.4
91.03893	2.0
91.05374	8.1
92.10956	2.2
92.44166	1.0
95.04893	2.4
97.02827	35.5
99.04393	19.3
101.02369	1.2
102.05523	1.3
102.72773	1.1
105.01810	33.5
105.06970	6.9
108.04409	1.5
109.02826	36.4
110.07110	2.6
111.04366	1.9
115.03851	1.5
116.07035	1.7
117.01811	6.2
117.06990	1.2
119.04903	12.0
119.08533	2.0
120.08078	4.1
126.05441	1.8
127.03883	53.4
129.01799	4.8
129.06924	1.5
131.08516	1.9
133.06487	9.2
137.05960	25.0
145.04951	16.8
145.06068	1.3
145.06439	1.4
147.04390	43.7
147.05502	2.0
147.08066	1.8
151.07500	8.7
157.06508	1.3
159.02875	18.6
161.09598	1.1
163.07532	1.5
165.09108	5.8
174.06763	1.4
175.07570	1.4
183.10147	4.7
187.07422	1.2
189.09073	5.9
191.07031	1.6
207.10167	7.1
225.11230	5.8
231.04858	9.4
248.07886	1.2
249.05917	1.9
249.11086	4.1
273.11194	10.9
291.12122	9.5
377.12216	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37126	0.8
52.41003	0.8
55.01820	7.9
55.05457	9.3
56.01938	0.9
56.04967	3.9
57.03362	7.1
57.07009	0.9
58.99517	12.0
61.01070	2.3
62.99002	3.8
67.05435	25.3
69.06985	5.7
70.06539	1.0
71.04923	1.7
71.08552	18.0
72.04429	5.2
75.02605	1.0
76.02148	62.6
77.00550	1.2
79.05412	5.4
80.47231	0.9
81.06988	7.6
83.06027	4.0
83.08547	1.7
84.03944	1.7
84.04436	40.0
84.08057	1.4
85.01051	1.8
86.00575	1.3
86.98991	1.8
87.02616	2.2
88.02127	4.1
89.00547	20.6
90.05489	25.1
91.05395	1.5
94.02880	0.9
95.08530	1.6
97.10114	7.7
99.02625	1.5
99.08035	20.4
100.02125	1.1
104.01626	7.1
105.06991	1.6
107.07922	1.0
107.08546	7.2
109.10110	19.1
111.02612	1.7
114.03677	1.4
116.01624	18.1
125.09580	1.0
126.05484	21.5
126.12764	9.6
127.11169	19.0
129.06557	8.2
130.03253	1.1
130.04999	6.9
133.10114	1.3
138.12767	1.2
141.04814	1.1
141.07320	4.6
142.03255	3.2
144.06535	14.0
158.02704	44.0
159.08372	91.8
165.23647	1.0
167.08868	4.8
175.05299	5.0
176.03754	15.2
181.06171	1.0
184.11478	10.0
187.05342	3.6
193.06429	18.0
202.12651	10.3
215.04800	1.8
219.27052	0.9
233.05855	6.8
255.03716	1.0
301.15775	100.0
319.16791	8.1
357.81305	1.0
359.16431	11.6
448.21021	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	448.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93203	0.8
51.22938	0.8
53.03889	10.5
55.01815	7.6
55.05442	2.1
57.03372	7.3
57.07010	2.1
59.55308	0.8
60.42941	0.8
61.02838	6.5
63.49188	0.9
67.05432	13.7
69.03349	49.4
69.06972	4.1
70.06513	1.6
71.04906	16.8
71.34951	1.0
73.02826	3.6
79.05411	13.4
81.03339	50.3
81.06973	6.3
83.04877	5.4
85.02831	52.2
85.06467	67.3
86.09579	1.4
87.04399	1.5
91.05406	13.5
93.06969	16.3
95.04910	1.9
97.02826	17.9
97.06449	4.3
99.04406	9.2
99.07965	1.9
103.03833	1.7
105.06985	14.9
107.04894	7.1
107.08554	22.1
108.04401	1.5
109.02831	34.9
109.06474	5.5
109.10059	1.3
110.25370	1.1
111.04397	8.7
117.06934	2.4
119.08529	15.3
121.06471	9.4
121.10116	18.3
123.04424	1.6
125.05936	5.2
127.03874	39.2
129.06946	4.5
131.08534	60.2
133.10106	2.2
135.08060	1.5
135.11652	6.3
137.09570	6.6
143.06992	1.8
145.04924	4.5
145.10104	27.6
147.07996	6.2
147.11674	1.7
149.09604	52.0
153.05434	4.2
155.08458	1.2
163.07503	2.3
163.11140	17.0
165.09038	8.1
167.06958	1.1
167.10654	24.8
173.09595	6.1
187.05988	13.6
191.10622	46.5
205.07014	7.7
209.11705	52.0
227.12744	100.0
228.13054	2.2
352.07556	1.1
389.93753	1.0
448.29208	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89153	0.6
53.03878	1.0
55.01805	1.9
55.05446	5.7
57.03362	1.3
57.06982	0.8
58.92949	0.7
61.02852	1.4
67.05413	4.3
69.03343	7.9
69.06988	8.6
70.06502	1.9
71.04900	12.0
73.36771	0.8
73.55373	0.8
79.05399	17.4
80.05705	0.7
81.03326	6.0
81.06960	4.6
83.04881	3.5
83.08502	0.9
85.02834	11.8
91.05393	13.8
93.06968	19.6
95.04884	6.9
95.08463	0.9
97.02811	4.8
97.06451	3.0
98.97523	1.0
99.04391	1.4
105.06969	23.0
107.04896	11.7
107.08533	28.0
108.04413	0.9
109.02837	3.3
109.06457	4.2
113.85791	0.8
117.06960	5.1
119.08540	8.3
120.08075	0.8
121.02827	1.9
121.06451	20.0
121.10082	17.6
123.08041	1.7
125.05901	1.9
127.03839	3.4
129.06937	1.6
130.07761	1.1
131.08527	100.0
132.08887	1.5
133.10049	3.5
135.08008	8.4
135.11664	1.9
137.05865	1.3
139.07449	1.4
141.05437	1.3
145.10091	30.1
147.07977	3.6
147.11644	5.5
149.05913	1.2
149.09584	48.8
153.01817	4.4
153.05421	7.1
153.09079	1.0
158.02635	1.0
160.07462	0.9
161.13289	0.8
163.07526	1.3
163.11113	16.0
165.01723	1.5
165.09070	1.2
167.06969	1.3
167.10683	1.0
173.09563	0.9
173.13228	1.7
175.14703	3.2
187.05952	1.0
191.10625	19.5
191.14259	1.3
209.11676	83.2
210.12022	1.4
213.05396	1.3
232.03279	0.8
276.93280	0.9
285.07294	1.1
286.07938	1.2
287.05429	49.6
304.12094	1.0
350.06430	0.8
394.52832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11497	0.4
53.00230	0.6
53.03889	1.0
55.01815	2.4
55.05446	3.6
57.03375	12.3
59.04936	1.0
61.02843	1.5
66.01971	0.5
66.02346	0.5
67.05404	1.3
69.03351	6.0
70.06519	7.5
71.04908	78.5
71.06824	0.7
72.05240	0.6
72.08070	0.6
73.02823	3.1
73.29027	0.6
75.04390	4.3
78.66821	0.6
79.05399	2.3
81.03345	2.4
81.07001	0.9
83.04895	8.1
84.04429	2.5
84.08060	1.0
85.02828	100.0
85.06463	6.9
86.03165	0.9
86.06002	0.9
86.09613	0.7
87.04382	2.4
90.05518	0.6
91.03868	0.7
91.05408	2.9
92.63618	0.7
93.06973	3.4
95.04923	0.7
95.08528	0.8
97.02819	7.3
97.06452	0.9
99.04380	3.0
103.03883	1.3
105.06968	4.0
106.07310	0.8
107.04916	0.9
107.08549	3.5
109.02882	2.0
109.06456	0.7
110.07098	0.6
111.04375	4.7
117.06985	0.8
119.08530	3.9
120.08048	1.4
121.06428	1.0
121.10146	1.0
123.08006	0.6
127.03872	7.4
128.06154	0.6
129.05435	27.8
131.08537	5.3
133.10063	1.0
141.72499	0.6
145.04948	4.8
145.10126	2.7
145.79965	0.7
147.06483	14.9
147.07799	0.9
149.09645	4.7
161.09604	0.9
163.06004	1.1
163.11172	1.0
164.09125	5.2
165.09073	1.4
167.10686	0.9
191.10565	4.5
199.07570	0.9
209.11743	4.2
213.12817	0.8
214.13068	2.3
214.63855	0.5
215.13445	0.7
227.12755	6.5
231.13730	1.4
232.14122	2.4
233.14497	1.1
255.06264	0.7
255.08656	1.2
270.05161	1.1
271.05545	1.3
273.09558	0.8
285.07565	4.0
286.07791	7.9
309.11771	1.2
404.15973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53226	1.2
57.07005	15.2
58.06527	2.7
70.06506	24.5
71.08543	6.3
73.54647	1.3
85.30737	1.8
88.07554	28.9
91.05397	3.1
102.09119	19.7
104.02546	3.4
105.03721	2.7
119.04891	2.6
132.02065	15.8
136.01515	11.2
138.81686	1.5
147.04382	47.6
147.05495	2.4
148.05090	1.9
149.02318	1.7
175.02344	3.1
175.03868	77.6
176.04646	2.1
180.04124	14.7
219.06482	100.0
256.26279	48.1
401.13370	1.7
448.30505	82.2
449.30756	2.3
453.82568	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
52.75966	0.1
53.03890	0.1
54.77686	0.1
55.01805	0.5
55.05428	0.2
57.03367	0.2
57.50333	0.1
61.02851	0.1
63.62014	0.1
67.01777	0.2
68.99683	0.9
69.03332	0.5
69.06981	0.2
70.06518	1.5
72.08054	0.2
79.05405	0.2
81.03326	0.2
81.06958	0.5
84.04434	0.8
84.08061	0.9
85.02805	0.8
85.81034	0.1
86.09608	0.7
89.03379	0.1
89.03858	0.6
89.78506	0.1
91.05396	0.6
92.10927	0.2
92.64236	0.1
93.06955	0.2
95.04906	0.2
95.08485	0.1
97.02806	0.7
99.04398	0.2
102.72945	0.1
103.03899	0.1
103.05390	0.2
105.03326	1.1
107.04877	0.6
107.08532	0.2
109.02831	0.2
110.07133	0.2
111.00749	0.3
115.05360	0.1
117.03309	0.3
119.04910	0.1
119.08514	0.2
120.08028	0.1
121.02821	0.5
123.00742	0.9
123.04361	0.2
127.03871	0.4
129.06946	0.2
129.10178	0.2
131.04881	1.2
131.08505	0.2
132.05243	0.2
135.04353	0.8
135.08017	0.2
137.02327	0.5
137.05936	0.1
141.07007	0.5
145.02824	0.3
145.06505	0.4
147.04384	0.2
147.08005	0.2
149.02310	2.7
151.03854	0.2
153.01794	14.2
154.02061	0.2
155.04842	0.1
157.06483	1.2
161.02306	2.2
161.05887	0.3
163.03819	0.2
163.98656	0.1
165.01842	0.2
167.03384	0.5
169.06401	0.3
171.02858	0.3
171.04388	0.2
173.05867	0.1
175.03876	0.7
175.07437	0.3
177.05360	0.2
179.03328	0.2
181.04900	0.5
183.02768	0.2
185.05936	1.4
189.05463	0.4
191.03401	0.5
197.05936	0.8
198.06223	0.2
199.03844	1.0
199.06609	0.1
203.03288	0.2
203.07001	1.3
205.05110	0.2
213.05426	4.8
216.04153	0.2
217.04884	1.3
218.86168	0.1
223.02330	0.2
225.05519	0.2
226.05786	0.1
229.04852	0.2
230.08888	0.2
231.06488	6.4
232.06827	0.2
241.04898	13.6
242.05334	0.7
243.06136	0.3
244.06303	0.2
259.05957	1.0
269.04370	6.8
270.04974	1.0
271.05576	1.3
272.05725	0.6
285.07532	3.0
286.07816	4.2
287.05429	100.0
288.05789	3.8
307.21167	0.1
416.40530	0.1
449.19284	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Astragalin
Peak:m/z	Relative Intensity
50.43896	0.4
51.85710	0.3
53.03892	0.5
55.01818	0.4
55.05440	0.7
57.03362	1.7
61.02858	12.0
65.03848	0.9
67.05430	0.7
68.99696	0.6
69.03338	2.3
70.06512	4.1
70.06825	0.4
71.04893	0.6
72.08064	0.5
73.02816	2.3
79.05406	1.0
80.35136	0.4
81.03322	1.5
81.06993	0.5
83.08532	0.4
84.04414	0.5
84.44565	0.5
84.83132	0.4
85.02826	8.5
91.03875	2.8
91.05402	0.8
93.03329	0.4
93.06951	1.9
95.04893	0.9
97.02817	4.2
97.06443	0.7
99.38089	0.4
105.03332	0.7
105.06949	1.9
107.04880	1.9
107.08546	3.4
109.02794	0.8
109.10069	0.7
110.03599	1.0
110.07121	0.7
111.00731	0.6
119.04895	0.5
120.08054	0.9
121.02833	4.8
121.06445	0.7
121.10089	0.9
122.10385	0.4
127.03875	1.0
131.08514	8.4
132.08853	0.8
141.05342	0.5
142.02574	0.5
143.07149	0.5
145.10094	2.3
147.04376	0.5
149.09621	3.4
151.19991	0.4
153.01791	7.5
163.11176	0.6
165.01781	3.1
168.03558	0.4
171.04364	0.6
171.06485	2.3
181.04912	26.6
183.02895	0.7
185.05942	0.5
191.10628	0.7
209.11679	7.0
210.11960	0.6
213.05423	1.7
223.22350	0.4
231.06480	0.9
241.04947	1.0
246.14850	0.6
258.05112	1.8
259.06119	0.4
286.08038	0.5
287.05435	100.0
288.05688	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Astragalin
Peak:m/z	Relative Intensity
53.03875	0.3
54.33913	0.1
54.67455	0.1
54.81236	0.1
55.01802	0.4
55.05433	0.1
57.03126	0.1
57.03370	1.0
61.02853	9.9
64.18818	0.1
65.03871	0.1
66.17414	0.1
67.01778	0.1
67.05426	0.6
68.99706	0.8
69.03345	1.8
69.06977	0.1
70.06509	0.6
70.60078	0.1
71.04892	0.3
72.08037	0.1
73.02825	2.7
76.02143	0.1
79.05398	0.6
81.03335	1.2
81.06953	0.3
83.01257	0.1
83.04906	0.1
84.04429	0.5
84.08064	0.3
85.02823	7.9
85.06463	0.3
86.09618	0.4
87.04395	0.2
88.03880	0.1
90.05460	0.1
91.03335	0.1
91.03878	3.0
91.05400	0.3
93.06950	0.1
95.04884	0.3
95.08517	0.1
97.02814	4.2
97.06492	0.1
98.97472	0.1
99.04366	0.6
101.02306	0.1
103.05399	0.1
104.01635	0.1
105.03333	0.7
105.06964	0.5
107.04913	0.6
107.08540	0.1
109.02821	1.0
109.06421	0.1
109.10101	0.2
110.07129	0.1
111.00739	1.2
111.04385	0.3
115.03850	0.3
116.01634	0.2
117.06937	0.1
119.08523	0.4
120.04412	0.1
121.02811	4.8
121.06456	0.1
121.10091	0.3
122.51859	0.1
125.05979	0.1
126.05434	0.2
127.03873	1.1
127.04826	0.1
129.06902	0.1
130.06470	0.1
131.08499	0.4
133.02814	0.7
133.10077	0.3
135.04378	0.4
137.02306	1.5
141.06941	0.2
143.28476	0.1
145.04927	0.4
145.06430	0.4
145.10103	0.1
146.06023	0.1
147.04388	1.0
147.11667	0.1
149.02281	0.1
149.09578	0.4
151.03897	0.3
153.01794	7.7
154.02148	0.1
157.06415	0.8
158.02682	0.4
161.05919	0.3
163.11145	0.1
165.00412	0.1
165.01796	2.9
171.02812	0.3
171.04395	0.3
175.03815	0.1
175.14754	0.2
176.03778	0.1
177.05467	0.1
181.04906	0.5
183.02841	1.6
185.05910	0.9
189.05424	0.3
191.04776	0.1
191.10640	0.1
194.02135	0.1
197.05956	0.2
199.03870	0.1
199.07509	0.1
203.06966	0.2
209.11703	0.1
213.05426	2.3
217.04927	0.1
227.12785	0.3
228.13042	0.1
229.04869	0.1
231.06471	1.0
241.04865	1.5
243.06398	0.1
258.05142	1.8
259.05981	0.7
269.04367	0.2
287.05429	100.0
288.05753	3.5
449.17612	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Astragalin
Peak:m/z	Relative Intensity
53.03883	0.8
55.01817	1.2
55.02036	0.1
57.03374	1.3
61.02605	0.1
61.02856	2.4
68.99690	1.0
69.03346	5.4
70.01131	0.1
70.06499	0.1
71.04901	0.6
73.02818	0.5
79.05392	0.5
81.03335	2.9
85.02824	12.1
87.04395	0.8
91.03876	0.2
92.10277	0.4
93.06982	0.2
95.04903	0.2
97.02818	3.9
99.04393	0.7
103.05418	0.1
105.03320	0.3
107.04889	0.9
109.02837	1.7
111.00764	1.8
111.04395	0.2
119.08554	0.2
120.44265	0.1
121.02814	4.4
121.10086	0.2
127.03892	1.7
128.92233	0.1
133.02803	0.7
135.04378	0.2
137.02295	1.4
145.04945	1.0
145.06439	0.3
147.04381	1.3
153.01801	7.4
157.06453	0.9
165.01794	2.5
171.04388	0.3
173.05975	0.2
175.03741	0.2
181.04887	0.2
183.02837	1.5
185.05872	1.1
185.75929	0.1
189.05528	0.3
197.05966	0.2
203.06963	0.3
213.05463	2.2
231.06523	1.3
241.04889	1.3
248.86520	0.1
258.05167	1.9
259.05978	0.7
269.04459	0.2
279.97815	0.1
287.05438	100.0
288.05734	2.6
312.29941	0.2
350.39389	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
53.21992	0.1
55.01801	0.8
55.05441	0.2
56.15550	0.1
67.01779	0.2
67.05415	0.2
68.99710	1.5
69.03341	0.4
70.06510	2.0
71.04892	0.2
73.28883	0.2
76.56168	0.2
78.63264	0.2
79.05400	0.2
79.68183	0.2
81.03336	0.3
81.06975	0.3
81.97083	0.2
84.04413	0.4
84.08063	0.7
85.02836	0.8
86.09642	0.2
89.03838	0.6
91.05384	0.6
95.01261	0.2
95.04914	0.3
97.02786	0.3
103.05408	0.7
105.03318	1.3
107.04877	1.0
109.02872	0.3
109.10081	0.2
110.07111	0.2
111.00745	0.2
115.05374	0.2
117.03312	0.4
117.06949	0.3
118.04145	0.3
119.04919	0.3
120.08037	0.4
121.02832	0.2
121.10098	0.2
123.00733	0.9
123.04359	0.3
127.03885	0.3
129.06978	0.4
129.10194	0.3
131.04883	1.7
132.05237	0.5
133.02815	0.3
135.04398	0.7
135.08052	0.2
137.02324	0.3
141.06923	0.8
142.07251	0.2
145.02837	0.9
145.06451	0.8
146.03165	0.3
147.04379	0.3
149.02319	3.0
153.01808	14.8
157.06471	1.0
161.02338	2.6
162.02644	0.2
163.03831	0.2
167.03374	1.0
168.03745	0.2
168.05650	0.3
169.06435	1.2
170.06821	1.2
171.04376	0.3
175.03853	0.8
175.07510	0.3
181.04817	0.2
185.05954	1.3
189.05457	0.7
191.03307	0.3
196.05092	0.2
197.05916	2.5
198.06300	1.9
199.03807	1.0
199.06564	0.4
203.07002	1.4
209.04517	0.3
213.05443	5.2
214.06046	1.1
215.06703	0.3
216.04227	0.3
217.04961	1.5
225.05458	2.0
226.05804	2.5
227.05960	1.4
229.08549	1.7
230.08891	1.9
231.06520	7.6
231.09065	1.0
239.31288	0.2
241.04903	14.0
242.05608	3.6
243.06023	3.6
244.06293	1.7
249.86981	0.2
253.05086	0.2
254.05043	0.3
255.05608	0.3
257.07843	0.3
258.08453	0.3
259.05887	1.0
269.04376	6.4
270.05148	8.0
271.02536	0.3
271.05505	10.9
272.05734	7.4
285.07516	24.2
286.07858	40.5
287.05432	100.0
287.08209	21.4
288.05746	3.7
288.08508	0.3
335.87158	0.2
379.69623	0.2
449.11749	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	449.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.7
53.47332	0.6
55.01819	0.7
55.05453	22.5
57.03135	1.2
57.03377	20.8
57.07010	9.7
62.29373	0.8
67.05429	49.3
69.06986	23.7
71.04930	1.6
71.08548	4.1
79.05412	13.8
81.06975	50.1
82.07296	1.1
82.60387	0.8
83.08550	9.6
86.09621	1.7
91.05404	8.4
93.06979	12.4
95.04908	1.3
95.08540	33.5
97.06467	2.0
97.10103	6.1
98.98405	9.1
105.06978	5.3
107.08537	5.4
109.10109	10.4
112.99966	100.0
119.08519	3.9
121.10108	3.1
123.11646	3.9
125.09584	1.3
131.01007	1.1
133.10065	3.4
135.22971	0.8
136.99976	7.0
147.11679	1.5
155.01027	6.0
161.65462	0.9
169.02574	37.6
184.07266	1.1
187.03737	1.7
249.45187	0.8
263.23679	3.7
292.61237	0.9
313.27185	3.6
329.25647	0.9
337.27298	56.3
338.27866	1.9
449.26358	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	449.3623
Annotation	Numersterol A
Peak:m/z	Relative Intensity
53.68956	6.2
55.05445	17.1
57.07013	72.1
62.19637	7.0
66.15918	7.6
67.05418	31.6
69.06986	59.7
71.08541	39.6
73.62800	7.2
81.06978	46.2
83.01301	10.6
83.08537	37.9
85.10106	10.3
91.05412	8.0
93.06973	32.7
94.70581	10.2
95.08530	48.5
97.10132	8.4
99.04388	31.2
105.06973	14.4
107.08565	11.5
109.06438	15.5
109.10146	12.8
111.04413	100.0
111.11649	7.4
113.05946	12.4
119.08519	11.2
123.08111	11.9
125.05949	51.0
137.05986	17.4
142.80058	9.5
151.03792	11.4
151.07568	8.9
153.05511	10.3
163.07500	8.4
165.05403	27.7
182.53577	8.6
183.06526	19.5
262.76733	8.7
301.24094	8.0
349.73389	8.9
357.88901	8.2
367.72992	9.4
403.35751	60.0
413.33923	12.2
431.34970	46.6
449.35803	77.8
469.54446	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	0.4
53.03885	1.7
53.51776	0.2
55.01814	3.6
56.04973	0.7
56.71033	0.2
56.90416	0.3
56.90710	0.3
56.96500	0.5
57.03373	7.4
59.04925	0.3
60.04475	0.3
61.02854	9.6
62.06020	3.4
64.40319	0.3
65.03856	0.5
67.05423	0.8
69.03347	21.9
70.06507	15.8
71.01246	0.3
71.04911	2.8
71.06836	0.7
71.94495	0.3
72.08064	1.2
73.02834	5.2
74.05002	0.3
74.05978	0.5
75.04382	0.3
76.02125	0.7
79.05392	0.5
81.03335	7.2
81.06973	0.5
83.01257	0.6
83.05998	0.3
84.04428	7.2
84.08080	3.4
85.02826	100.0
86.03148	0.6
86.09624	2.8
87.04398	2.6
88.03899	0.6
90.05447	0.7
91.03893	4.6
91.05405	74.1
92.05782	0.6
92.10956	0.7
93.06945	1.2
95.04883	0.7
97.02819	32.5
98.97466	0.5
99.04380	4.8
101.02282	0.5
102.05475	1.5
103.03901	1.1
105.06981	1.5
107.08518	0.5
109.02831	8.7
110.07120	3.0
111.08018	1.5
112.07575	1.2
112.08674	0.5
115.03863	3.5
115.08618	0.6
116.07011	0.6
116.98589	0.4
117.06979	1.3
119.04905	0.6
120.08037	4.2
121.02811	0.4
121.06464	0.8
121.08440	0.4
121.10099	0.3
123.04382	1.4
124.89079	0.3
127.03875	20.4
128.06157	0.4
129.06960	0.5
129.10197	1.6
131.08549	0.6
133.06422	1.5
143.08583	0.4
145.04933	26.6
147.04462	0.9
151.03879	6.0
151.04988	0.7
157.06444	0.5
158.02682	0.7
161.04434	1.3
162.98138	0.6
163.05980	10.5
163.07234	0.4
173.12889	0.6
177.05379	0.4
181.05003	0.5
186.09123	0.5
195.06516	1.8
217.08629	1.4
225.82735	0.4
229.02773	0.4
235.09633	2.0
237.02734	0.5
253.02843	0.4
253.10669	1.9
271.03827	2.2
271.29578	0.4
289.04849	1.1
289.09128	0.4
303.08423	2.2
325.11224	2.2
352.20258	0.3
450.14310	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	1.4
53.03894	1.6
55.01804	5.7
56.04978	6.9
56.96503	3.0
57.03376	25.4
59.04925	2.2
60.04460	2.6
60.05577	3.0
61.02843	6.9
65.03875	1.3
69.03352	58.9
69.04057	1.3
70.06510	81.6
71.06838	1.5
72.08098	4.3
73.02830	16.1
75.04388	7.1
76.02135	5.8
79.15994	1.6
81.03326	8.5
82.91309	1.3
83.06023	1.7
84.04426	37.4
84.08071	21.9
85.02830	72.5
85.07601	1.5
86.05993	2.0
86.09640	3.4
87.04397	25.6
88.03889	2.9
88.85610	1.3
91.05399	8.5
93.04491	1.8
93.06975	2.3
95.06023	2.4
97.02823	49.1
98.97482	1.5
99.04366	2.0
102.05465	6.3
103.03879	1.6
103.05408	1.6
107.04906	3.3
109.02843	5.7
110.07136	16.3
111.08044	3.5
112.08674	3.5
115.03874	36.3
115.08648	2.5
116.01620	1.6
117.06968	3.2
118.23416	1.3
121.06470	36.5
125.07074	1.3
127.03905	12.1
127.04871	2.5
129.10194	3.5
130.04993	1.7
133.04926	31.3
136.07603	1.7
137.02258	2.3
144.08049	9.3
144.95758	1.6
145.04947	9.3
145.06456	16.2
146.05977	1.7
147.04376	2.5
150.07669	2.5
150.96870	2.6
151.03909	6.5
158.02693	2.1
159.07916	2.0
162.96771	2.1
163.07520	8.8
171.09174	1.6
175.07494	5.6
187.07489	8.0
188.98083	2.2
193.06381	3.3
195.06593	6.2
205.08548	7.1
215.06865	1.7
217.08588	10.2
235.09700	2.4
237.02692	2.0
257.03317	5.1
259.08115	2.0
265.10660	3.2
287.05475	48.5
288.05777	100.0
289.05911	7.2
371.87390	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64924	0.7
55.01800	0.9
55.05473	0.9
56.04972	1.7
56.96497	1.5
57.03348	1.1
58.06528	2.3
60.05587	21.0
60.38062	0.8
67.98972	0.8
69.03358	1.2
70.06514	25.5
84.04426	4.5
84.08067	4.1
84.95937	0.8
85.02839	2.2
85.07593	4.4
86.03458	4.3
86.09637	4.1
87.09171	0.8
90.05462	1.0
91.05405	3.9
92.10879	2.1
97.02824	1.4
99.09155	19.4
105.03336	4.8
111.04408	0.9
113.07070	6.4
115.19288	1.0
116.07059	5.4
119.04875	3.7
120.04432	17.6
132.04427	12.9
132.08073	0.9
134.06006	2.0
134.99571	1.2
136.06181	1.9
136.07573	8.4
146.05972	4.8
147.04410	8.7
158.05977	3.7
164.06998	1.1
173.09177	5.8
175.08644	17.8
181.04936	4.5
189.10182	1.2
201.06647	4.3
218.12857	100.0
219.13130	1.4
219.96753	1.2
237.02705	1.1
244.10733	8.4
249.12358	2.2
293.11243	5.9
294.09790	1.1
305.11432	1.9
365.18115	31.5
450.21002	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2268
Annotation	Hypognavine
Peak:m/z	Relative Intensity
51.68217	0.8
55.01811	25.1
55.05452	11.4
56.04985	1.5
57.07015	7.0
57.68673	0.7
58.99521	4.5
61.01080	1.8
62.98999	17.9
67.05436	9.8
69.06987	82.2
70.02852	3.4
71.08578	1.0
72.04437	11.2
72.35016	0.9
73.01044	1.2
73.02843	1.2
74.00578	21.1
76.02155	1.3
77.00545	1.8
79.05444	1.4
81.06989	1.8
83.06048	7.1
83.08548	3.6
84.04428	63.6
85.01012	1.3
86.09579	0.9
86.98978	5.1
87.02622	34.3
88.02148	8.4
90.05489	14.3
90.78758	0.9
92.01650	1.3
93.06973	1.5
97.10085	0.9
98.02344	1.0
99.02605	3.8
101.04180	4.8
102.05482	1.7
104.01627	13.8
107.08520	1.9
109.10088	6.4
111.11676	5.3
113.04162	4.1
116.01632	34.1
116.03484	1.2
126.05475	100.0
127.04964	6.5
127.05808	1.1
129.06548	14.8
130.04997	6.0
135.11626	1.3
141.06561	1.9
142.03311	0.9
142.04939	1.9
143.08888	9.2
144.06537	44.7
145.06058	1.6
158.02687	73.0
159.08458	19.2
161.09918	35.3
169.10434	5.2
176.03734	32.7
186.13113	5.4
187.11508	9.2
188.03813	1.1
191.04861	8.7
204.14117	3.9
212.41377	0.9
231.04289	1.2
286.14737	8.4
303.17358	6.7
304.12277	2.0
304.15726	56.5
321.18372	36.8
361.17685	12.5
363.04294	1.1
432.21405	1.9
447.32431	1.0
450.22760	6.5
460.24051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50057	4.8
50.50316	3.9
55.05447	9.0
57.03369	80.6
57.07010	100.0
62.98526	5.2
67.05430	22.6
69.06988	20.1
71.08549	68.0
75.04396	50.3
81.06983	29.9
82.56550	4.4
83.08529	6.4
85.10103	35.4
87.17822	4.9
95.08534	41.3
97.10115	4.9
105.72430	4.5
109.10104	9.9
131.07074	10.2
267.26837	9.5
278.36404	5.0
283.26202	29.0
329.91348	5.6
341.30429	47.4
346.38431	5.3
415.34027	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76640	2.0
57.07010	3.9
69.06985	2.3
70.06514	26.2
72.08080	3.0
79.05399	3.2
81.07033	2.1
84.08075	3.7
86.09631	8.3
88.07549	11.9
89.05949	2.8
95.08542	2.4
97.51606	1.7
98.51868	2.4
102.09140	2.3
114.09116	13.2
116.02172	2.3
119.01871	4.5
132.10175	4.9
145.03365	2.1
176.12825	23.0
220.15416	4.4
256.26367	8.1
263.06177	3.3
300.29050	3.3
450.37854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	0.9
55.05442	0.9
56.04967	0.7
56.15703	0.6
56.96497	0.9
57.07011	17.7
58.06534	5.8
68.04939	0.7
70.06509	48.2
71.07285	1.8
71.08545	5.6
72.08070	6.3
79.05375	0.9
81.06960	1.3
83.08534	0.7
84.08069	7.6
86.09622	15.8
88.07536	7.6
89.05945	4.7
92.10375	1.0
102.09142	1.4
114.09109	6.7
124.99979	0.9
132.10167	14.7
133.06502	0.8
146.11742	12.5
176.12720	1.3
190.14345	1.3
212.23784	5.9
213.17398	0.8
220.15480	0.9
224.33195	0.7
238.25302	4.0
240.26927	1.0
256.26245	8.2
300.28909	64.8
301.29410	1.6
344.31531	18.6
383.17538	1.0
388.34106	17.7
450.37808	100.0
451.38132	6.3
475.64545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1235
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
53.03878	1.6
55.01804	1.7
57.03376	2.3
61.02860	3.4
65.03848	0.4
67.01779	0.4
68.99706	3.4
69.03006	0.4
69.03352	8.5
70.06511	0.5
71.04926	0.4
73.02820	1.2
75.95018	0.3
79.05404	0.5
81.03341	3.3
81.06976	0.3
84.08089	0.4
84.54406	0.3
85.02829	21.2
87.04401	0.3
91.03886	0.7
91.05397	3.1
95.04896	1.1
97.02825	6.4
97.14540	0.3
99.04379	1.3
107.04899	25.0
109.02832	1.9
111.00769	0.5
112.03838	0.2
115.05400	0.7
119.04920	2.9
119.08620	0.3
121.02818	8.5
127.03921	2.4
129.06949	0.3
131.04881	1.7
131.08536	0.4
133.02913	0.5
135.04393	0.4
140.07060	1.5
141.06981	3.0
145.02843	1.8
145.04971	1.5
145.06458	1.4
147.04364	2.0
147.08072	2.6
149.02324	87.2
150.02672	1.2
150.09093	2.1
153.01813	17.0
153.06952	0.5
157.06447	0.6
159.04388	2.1
159.08012	1.5
165.01765	0.3
167.03383	1.4
169.06450	6.0
171.02870	0.4
173.05994	2.1
181.06445	1.9
183.02884	0.5
185.05977	1.0
187.03900	1.3
187.07477	2.9
197.05957	9.2
198.06693	0.3
199.07503	0.5
213.05496	0.4
213.09435	0.3
215.07004	100.0
216.07370	1.8
225.05411	1.4
227.06844	0.4
243.06485	87.0
244.06830	1.6
253.04724	2.1
271.05963	62.2
272.06323	1.5
289.06992	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	451.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21114	0.3
52.48525	0.3
53.00248	0.4
53.03892	4.7
53.21770	0.3
55.01812	0.8
55.05453	2.5
57.03371	3.2
61.02862	3.5
67.05428	15.1
69.03355	15.4
69.06991	0.6
70.06504	4.5
71.04916	7.2
73.02847	2.1
79.05421	2.0
81.03341	18.1
81.06991	3.7
83.04918	0.5
83.08575	0.5
84.04438	0.6
84.08056	0.7
85.02832	71.3
85.06463	1.9
86.03162	0.7
86.09607	0.7
87.04408	0.7
87.65424	0.4
91.05403	2.0
93.06966	2.2
95.04906	0.9
95.08530	2.0
97.02826	19.9
98.03161	0.4
99.04391	52.2
100.04696	0.5
103.03883	100.0
104.04204	0.5
105.07002	1.6
107.04893	0.8
107.08525	0.9
109.02834	16.0
109.10115	7.9
110.07115	0.6
111.04431	0.4
111.08038	0.6
117.05436	0.4
119.08514	0.6
120.04451	5.1
120.08087	1.8
121.04756	2.8
121.10107	1.7
127.03880	82.9
128.04234	0.8
129.06947	0.6
133.10081	0.5
136.07564	0.5
139.05763	0.4
139.11137	0.4
145.04944	32.1
145.10123	1.6
149.09596	0.6
157.10193	0.4
163.05995	26.2
163.11177	1.5
181.04916	1.9
182.05283	1.4
184.59778	0.4
187.05977	2.7
203.10466	1.9
205.07098	1.7
217.12321	0.8
235.13214	0.5
253.07089	0.5
255.16002	0.4
271.08047	2.5
271.12924	4.5
289.09094	2.9
295.15216	0.9
307.10251	3.9
312.14764	0.5
343.13885	0.5
365.15488	2.2
407.16522	2.5
451.14783	6.3
451.24811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50727	0.4
55.05440	1.0
56.04958	2.5
56.96504	0.6
67.05414	0.9
68.04927	0.8
69.03339	1.3
69.06982	0.6
70.02870	0.5
70.06507	100.0
70.99438	0.4
71.04891	2.2
71.06818	1.0
71.80096	0.5
71.95515	0.5
72.08059	3.0
74.05978	0.6
79.05405	1.3
81.03315	0.5
81.06969	1.0
83.05993	0.7
84.03946	1.0
84.04425	21.8
84.08059	5.3
85.02824	5.4
86.05955	0.6
86.09608	2.8
88.03897	0.6
91.05378	4.9
93.06959	2.6
95.04889	0.6
97.02822	1.1
97.07543	1.2
98.05970	1.2
99.04325	0.7
102.05469	2.2
103.03871	2.1
103.05410	5.7
104.06860	0.5
107.04897	10.2
107.08501	1.2
109.06399	0.6
110.07111	4.1
111.06731	0.6
112.07547	45.5
113.07066	0.8
113.07813	0.6
115.08637	24.1
116.07030	5.5
119.04831	0.6
119.08502	0.6
120.08052	47.0
121.02795	3.6
121.08365	0.8
124.65528	0.5
125.09565	0.6
127.03840	2.6
129.10201	3.5
130.06506	1.0
130.39729	0.5
131.04866	4.1
131.08456	0.6
135.04337	0.9
135.18071	0.5
136.07542	0.9
143.08212	0.9
145.05014	0.6
145.10114	0.5
146.05946	2.4
147.04376	0.7
149.02296	1.3
149.05930	0.8
151.03873	2.6
152.04216	0.7
153.01865	0.8
153.88885	0.5
158.09563	0.9
166.08583	5.8
167.07062	0.6
168.08104	4.1
174.05414	0.7
175.10703	6.6
181.09674	0.9
184.07558	2.5
185.10660	8.3
186.09094	39.1
187.09410	0.7
195.06421	1.0
195.08011	0.8
204.10226	0.7
208.10730	3.4
211.07423	1.2
213.08978	0.6
215.07004	1.3
223.07526	6.8
225.05333	0.9
226.06145	0.8
226.11859	4.1
227.10181	3.2
231.11185	4.1
232.09592	3.5
237.02678	0.6
239.06958	8.9
241.08478	4.7
243.06450	1.0
244.12877	1.0
251.06841	1.0
263.06873	0.7
265.08502	2.7
267.06274	0.7
268.12839	3.6
269.08020	5.2
269.10641	0.8
271.06195	0.6
279.09961	0.6
286.13916	20.4
293.07858	2.1
297.07455	3.3
307.10287	0.7
323.09213	1.1
335.09198	1.1
353.10031	0.7
371.11667	0.6
387.20370	0.8
389.12161	5.2
390.15854	0.6
407.20016	0.6
410.89600	0.6
417.11572	1.3
433.15369	0.8
433.20670	12.4
435.12589	2.3
451.15378	1.3
451.21738	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	451.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.3
55.05453	29.4
56.04979	5.5
56.53955	1.0
57.03366	1.3
57.07003	1.9
63.74266	1.0
66.53294	1.0
67.05424	2.8
68.04957	1.1
69.03342	2.6
69.06981	5.3
70.06505	15.6
71.04916	1.3
72.08042	1.2
78.13744	1.1
79.05396	2.6
81.03321	2.7
81.06986	10.7
82.06496	6.9
83.04893	7.5
83.08528	17.3
84.04416	2.7
84.08061	9.7
85.02821	7.9
85.06476	1.6
86.09630	5.1
91.05396	6.2
93.06987	1.9
93.26042	1.1
95.04920	1.5
96.08082	4.3
97.02852	3.0
98.09625	100.0
100.07548	22.1
100.11187	50.3
103.03875	2.5
105.05579	1.4
105.06898	1.2
107.04906	6.3
107.08517	2.5
109.06503	1.7
109.71137	1.1
110.05978	5.3
110.07127	1.8
111.04398	23.8
112.07558	11.6
119.04898	2.8
120.08055	4.7
121.02806	1.7
121.06470	2.6
125.88956	1.1
126.09132	5.4
127.03872	4.7
128.07031	22.1
133.10071	1.4
136.07571	1.4
137.05942	2.3
139.08649	1.4
140.07068	6.9
147.04395	2.2
147.11694	1.5
149.02307	1.9
149.05966	1.6
149.09564	1.3
153.01807	1.6
166.15891	5.9
167.10675	1.6
168.11028	1.5
180.13783	7.9
182.15364	76.5
186.12135	1.7
188.43585	1.4
189.05179	1.2
190.12234	1.3
192.13725	1.3
192.55043	1.2
207.14975	2.3
208.13298	5.4
209.16388	6.9
210.14856	82.1
222.91408	1.3
227.17508	8.9
228.15819	2.5
237.14682	1.2
303.85916	1.2
323.57364	1.3
336.22711	1.5
337.21066	14.8
354.23810	62.6
355.24008	1.3
375.40555	1.4
433.31592	5.4
451.12042	4.9
451.32809	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89598	0.2
53.00233	0.3
53.03688	0.2
53.03889	3.0
55.01809	0.4
55.05446	3.4
57.03367	2.1
60.17007	0.2
61.02859	3.1
67.05424	1.4
67.98733	0.3
69.03349	11.7
69.06989	13.8
71.01254	0.3
71.04910	4.2
73.02828	1.7
74.78294	0.4
75.12386	0.3
79.05415	0.7
81.03336	14.1
81.06988	0.7
83.04908	0.7
85.02827	67.4
87.04384	0.5
91.03820	0.3
91.05414	0.5
92.10278	1.3
93.06992	0.4
95.04865	0.5
97.02823	19.2
99.04382	46.1
101.02348	0.3
103.03877	100.0
104.04193	1.3
105.06955	0.4
107.08563	0.5
109.02827	15.0
109.10110	0.3
111.11660	1.5
115.03904	0.3
127.03875	87.2
128.04214	1.2
145.04935	34.2
146.05153	0.3
163.05981	35.8
164.06247	0.3
187.05949	2.6
205.07048	2.6
219.13768	0.4
237.14748	0.3
253.06915	0.5
255.15804	0.6
271.08017	3.7
278.52560	0.3
289.09021	4.6
297.16888	0.5
307.10159	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	452.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	30.4
57.03369	10.3
57.07005	9.5
57.34230	1.5
59.63547	1.5
60.99531	1.5
62.06018	32.1
67.05421	17.5
67.16624	1.7
69.06985	41.5
71.08543	3.4
75.46352	1.7
75.74722	1.6
79.05397	8.7
81.06982	22.2
83.08538	19.0
85.02821	2.7
85.10072	1.9
93.06955	14.6
95.08538	16.5
97.10098	9.9
98.05962	2.1
98.98417	14.7
100.69326	1.9
107.08544	4.0
109.10088	7.5
121.10087	9.5
124.01641	1.8
135.08899	2.4
135.11627	4.5
155.01015	7.5
184.07324	2.9
216.06175	2.1
219.67621	2.0
280.26346	11.9
311.25760	100.0
352.34109	2.0
391.22348	4.2
415.50732	2.1
434.26755	3.5
452.27628	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	452.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05230	2.0
55.05449	34.8
55.10315	1.6
57.03373	21.6
57.06998	8.6
58.49670	1.3
63.00348	1.3
63.93218	1.3
65.03864	2.2
66.34493	1.3
67.05078	3.4
67.05424	69.1
69.06989	30.3
71.04903	2.6
71.08549	2.6
79.05395	19.2
81.06505	3.1
81.06973	78.8
83.08535	18.5
86.09608	7.1
91.05402	17.3
92.10958	3.7
93.06974	18.5
95.08530	65.6
95.92136	1.4
97.06435	2.6
97.10085	8.1
98.01871	1.5
98.98396	100.0
99.07994	2.2
103.03928	1.4
105.06951	10.0
107.08526	10.3
109.10120	20.7
113.09555	1.7
114.18930	1.5
116.73867	1.5
116.99458	7.2
119.08517	8.8
121.10065	8.5
123.11641	8.6
124.99936	3.2
133.10078	9.4
135.11621	3.7
137.13243	2.5
147.11662	6.6
149.13257	2.3
151.14845	1.9
155.01012	38.7
161.13152	3.0
163.14734	2.4
173.02065	3.2
175.14738	1.9
183.10080	1.6
184.07315	3.8
223.16559	2.4
245.22572	11.2
263.23666	26.7
312.76157	1.6
337.27252	64.1
338.27713	2.0
345.91467	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	4.3
55.05445	14.3
57.07007	2.9
63.60078	1.7
67.05429	24.9
69.03360	13.3
69.06993	13.4
70.06516	1.6
71.04877	2.2
71.18778	1.7
73.70999	1.9
74.02840	1.9
78.73147	1.7
79.05403	11.2
81.06980	23.1
83.08531	6.4
85.06465	3.6
91.05408	20.0
93.06976	100.0
95.04909	11.3
95.08536	80.8
97.02802	20.7
97.06481	8.8
97.10094	2.5
98.02235	1.9
105.06992	25.4
107.08542	61.1
109.06491	11.1
109.10088	22.3
111.08040	19.7
119.08532	33.4
121.06462	40.7
121.10097	38.3
123.08018	20.5
123.11691	8.1
125.09590	7.4
129.07008	2.1
131.08560	9.2
133.06464	2.3
133.10112	22.7
135.08040	9.6
135.11652	31.0
137.09639	3.1
137.13237	7.3
139.07539	13.7
143.08556	3.2
145.10118	12.9
147.08063	2.5
147.11656	14.9
149.05910	2.7
149.09659	2.7
149.13257	6.6
157.08627	3.1
157.10124	7.1
159.08080	2.6
159.11694	10.8
161.09636	6.2
161.13248	11.4
163.11099	13.1
165.12726	3.3
167.07129	2.1
167.08580	1.7
171.11664	10.0
173.09599	2.9
173.13216	10.4
175.07494	2.2
175.11159	6.5
175.14822	4.2
177.12732	2.6
177.16374	7.3
183.11760	2.2
185.09547	2.2
185.13232	2.4
187.11147	2.8
187.14862	3.1
189.12779	2.8
189.16338	3.6
213.16443	2.8
217.15860	2.6
227.14511	1.9
231.17467	2.5
241.15787	2.2
243.17487	1.8
245.15372	2.0
261.14804	7.0
273.21988	2.0
301.21609	7.0
319.22614	7.6
353.24786	3.3
363.23300	2.0
371.25809	16.6
381.24323	6.4
399.25253	10.3
417.26263	3.3
451.37991	7.0
468.49631	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25330	0.3
51.62199	0.4
53.03869	0.7
55.01790	0.6
55.05449	10.2
56.96487	0.5
57.03354	0.6
57.06967	0.3
64.90047	0.4
67.05428	2.2
69.03340	2.4
69.06986	3.0
70.06508	3.7
71.04892	2.0
72.08062	2.0
79.05406	2.2
81.03348	0.9
81.06962	3.1
82.06480	1.7
83.04886	0.8
83.08533	7.2
84.04411	0.8
84.08057	1.9
85.02828	4.7
86.03091	0.5
86.09596	0.7
87.00706	0.5
91.05383	1.9
92.63741	0.5
93.06966	0.9
95.04893	0.6
95.08508	0.8
97.02821	2.1
98.09608	0.6
98.97526	0.5
99.04367	4.0
100.07550	2.8
100.11183	38.5
103.03873	2.8
103.84617	0.5
105.03326	0.8
107.08532	0.7
109.02818	1.7
109.10098	5.2
110.05968	0.7
110.07133	0.7
110.10414	0.9
111.04385	2.8
111.08017	0.4
111.50078	0.5
112.07536	0.7
116.98564	1.1
117.07001	0.6
119.08526	0.5
121.02813	2.5
121.06381	0.4
122.03128	0.5
126.09100	0.6
126.85400	0.5
127.03876	3.8
127.08630	0.5
128.07022	2.3
131.08543	0.7
133.10059	0.7
139.08647	1.7
145.04933	1.0
151.11136	1.0
163.05977	0.5
182.15369	12.5
209.16451	8.2
210.14819	9.5
219.13716	0.5
226.19022	3.8
237.02834	0.7
271.05939	0.7
313.76743	0.5
326.27875	2.0
327.07492	1.7
336.22687	0.8
369.08508	0.6
435.33560	4.2
453.17175	100.0
453.34207	25.1
454.17758	6.3
454.24210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	6.6
55.01807	1.2
55.05457	9.5
57.03363	4.1
57.07000	1.0
59.04912	1.1
61.02845	1.7
67.05409	1.7
69.03059	1.0
69.03356	15.7
69.06987	17.3
71.04913	7.3
71.18549	0.9
73.02822	4.9
79.05403	1.1
81.03344	23.0
81.06960	4.3
83.08521	2.2
85.02831	81.9
87.00746	1.1
92.10917	2.5
95.08472	0.9
97.02824	21.1
99.04389	62.6
100.11189	10.7
102.67912	0.9
103.03882	100.0
109.02834	17.0
111.11681	4.1
116.38069	1.0
121.10126	1.3
127.03881	93.9
129.12717	1.7
141.12715	1.0
145.04932	28.9
163.05983	18.5
167.10936	1.2
182.15297	3.6
187.05951	5.2
200.12622	0.9
205.06969	1.9
209.16492	1.0
210.14874	1.6
233.05014	1.2
260.87488	0.9
271.07999	1.6
273.23816	0.9
289.09103	1.9
307.10049	1.1
315.17926	1.9
453.34436	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03868	2.1
55.01807	1.1
55.05454	14.3
56.04966	0.9
57.03363	3.8
59.06036	1.0
61.02846	2.2
65.65393	0.8
67.05428	2.1
69.03349	13.4
69.06991	24.4
70.06497	5.2
70.07314	1.0
71.04926	6.6
72.08069	1.0
73.02837	1.5
74.80383	0.8
79.05406	3.4
81.03334	17.4
81.06963	4.6
83.04919	1.3
83.08530	7.4
83.38103	0.8
84.04408	1.4
84.08064	2.3
85.02829	65.6
85.06439	1.4
90.05475	1.3
91.05406	2.1
93.06953	4.0
95.05911	1.0
95.08531	2.3
97.02808	13.4
97.06487	1.0
99.04389	53.8
100.07565	2.3
100.10567	1.8
100.11185	37.4
100.21568	1.0
103.03880	100.0
104.04229	1.0
105.06951	1.5
106.02119	0.9
107.08526	1.6
109.02836	18.1
109.10091	1.8
109.81831	0.8
110.07130	1.5
110.22449	0.9
111.04366	4.5
111.11695	7.6
120.04436	1.0
121.02782	1.1
121.10042	1.8
123.08012	1.3
127.03872	78.1
128.07005	1.4
129.12703	5.1
135.08023	1.5
139.08644	1.9
145.03871	1.4
145.04950	29.5
163.05994	27.7
182.15434	12.2
183.45375	0.9
187.05949	1.7
201.12610	1.1
205.07088	1.1
209.16444	12.2
210.14856	12.4
226.19145	3.3
289.35995	0.9
307.10205	3.7
326.27881	0.9
336.22638	1.5
361.63626	1.0
417.20911	1.2
433.09567	1.1
435.33154	5.7
453.16562	8.3
453.34174	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	453.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	5.5
54.61171	0.7
55.05453	10.3
57.03371	4.2
59.04940	1.1
61.02850	1.9
67.05413	1.9
69.03346	17.2
69.06987	23.7
71.04901	6.7
73.02823	5.1
81.03335	21.7
81.06939	1.2
83.04900	1.1
83.08546	3.8
85.02824	76.2
86.03162	1.2
87.04379	0.8
90.64268	0.8
91.91505	0.8
92.63393	0.9
95.08516	1.5
97.02818	18.6
99.03724	1.6
99.04381	56.4
100.11188	13.5
103.03875	100.0
109.02831	17.2
109.10112	1.2
111.04371	1.8
111.11697	1.7
114.09054	0.9
114.36964	1.0
117.05393	1.0
124.02577	0.7
127.03870	79.2
128.04173	1.0
129.12727	3.9
145.04929	27.2
151.34247	0.8
163.05981	22.1
168.81113	1.0
182.15366	5.4
187.05983	2.0
204.31749	0.9
205.06985	1.4
209.16444	3.1
210.14781	4.5
253.07050	1.4
271.08087	1.8
289.09140	1.7
307.10031	1.6
315.17941	1.8
444.34061	1.1
453.33820	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	0.1
55.05450	19.7
56.04945	0.1
56.05777	0.1
56.36487	0.1
57.07008	0.9
58.06519	0.2
67.05416	0.6
67.23432	0.1
69.03310	0.1
69.06975	0.8
70.06516	1.5
72.28111	0.1
81.06965	0.7
82.06495	3.9
83.04893	1.7
83.08537	17.4
84.08065	1.0
84.08875	0.2
85.06473	1.1
86.45925	0.1
87.67411	0.2
91.05424	0.2
94.06461	0.2
96.08052	0.6
97.06444	0.3
98.09631	2.2
100.07547	6.2
100.11185	100.0
101.11527	1.1
110.05988	3.5
111.04390	8.4
112.07536	2.8
112.11173	1.2
117.13816	2.1
124.07531	0.1
126.09111	2.4
127.08640	2.8
128.07037	6.6
129.05412	0.5
139.08641	4.7
140.07028	2.8
147.11676	1.2
150.12738	0.2
157.09814	0.2
157.87622	0.1
164.14342	0.7
166.15909	0.7
168.13777	0.5
175.11168	0.2
182.15367	33.4
183.15733	0.3
192.13770	1.7
199.21681	0.3
209.16458	27.5
210.14859	27.6
210.16570	1.2
211.15233	1.0
226.19104	8.6
227.17471	1.9
227.19379	0.2
228.15941	1.7
253.72090	0.1
261.77661	0.1
308.26791	1.3
309.25259	0.2
326.27972	4.4
327.28442	0.2
335.24234	0.8
336.22705	3.8
343.30563	0.5
345.23474	0.1
417.32010	0.2
435.33224	14.1
436.33432	0.8
453.34262	66.4
454.34583	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	454.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01810	0.1
53.03882	0.3
55.01817	0.2
56.96494	0.3
61.02845	0.7
67.06198	0.2
69.03349	1.4
69.06989	0.3
70.06512	4.0
72.08058	0.2
73.02829	0.3
75.00962	0.2
81.03326	0.8
83.01255	0.2
84.04433	1.5
84.08057	1.7
84.66897	0.2
85.02834	4.4
85.73717	0.2
86.09650	0.4
91.03896	0.2
97.02825	1.2
98.40137	0.2
101.73542	0.2
102.05571	0.2
103.05373	0.3
107.04902	0.2
109.02826	0.7
110.07165	0.6
118.53230	0.2
120.08057	5.1
127.03879	100.0
128.04221	0.8
129.10216	0.3
145.04932	0.3
146.06020	1.4
166.08656	1.1
187.08031	0.3
196.96466	0.2
199.08168	0.4
217.09280	0.2
284.84940	0.2
289.09036	2.8
289.11710	0.3
307.12329	0.2
454.19046	0.3
472.00616	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	454.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.3
55.01801	0.6
55.05449	0.6
56.04962	0.4
57.03374	0.8
57.38676	0.3
59.75267	0.3
60.65863	0.3
60.67041	0.3
67.05424	1.6
69.03342	2.2
69.07008	0.5
70.06516	7.7
71.04902	0.8
71.61628	0.3
72.08079	0.5
79.05408	1.4
81.03334	2.2
81.06969	1.9
83.04892	0.5
83.06052	0.4
83.08556	0.5
84.04445	4.1
84.08084	2.9
85.02845	4.3
86.09619	0.8
87.00789	0.4
90.23302	0.3
91.05422	2.6
93.07008	1.2
95.04884	2.5
95.05970	0.4
95.08536	1.6
97.02836	2.2
99.04379	1.5
102.05474	0.6
103.03877	0.8
105.06990	0.6
107.04906	100.0
107.08543	1.5
108.05242	1.6
109.02833	0.5
109.06454	0.8
109.10122	0.7
110.07127	2.7
110.98217	0.3
111.04417	4.0
112.08632	0.5
113.09609	1.6
119.04913	8.8
119.08513	1.2
120.08064	1.6
121.02836	0.4
121.10082	0.4
123.04384	2.0
123.08028	0.5
123.11617	1.3
127.03893	2.1
129.10226	0.5
131.08539	0.4
133.10117	0.6
135.04390	8.5
137.02327	16.2
137.05998	0.7
139.07640	0.4
145.04973	0.6
147.04398	4.4
147.11809	0.4
149.09608	2.3
151.03925	0.5
153.12747	0.6
161.13263	0.5
163.03888	0.5
165.06970	0.5
174.49281	0.4
181.04958	0.6
183.08101	0.8
189.12720	0.4
207.13858	0.7
211.07510	0.8
229.08580	11.1
239.06976	3.1
257.08023	9.4
275.09103	14.8
281.33246	0.4
285.41525	0.4
366.36749	0.4
454.17419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.5
54.04737	0.4
55.05447	2.8
56.96505	4.0
57.03364	0.6
57.07009	0.5
59.13469	0.3
60.34011	0.4
65.03840	0.5
67.05423	4.5
69.03336	0.8
69.06988	3.9
69.21406	0.4
70.06502	1.7
71.04897	1.0
73.02822	0.6
76.02150	0.8
79.05389	4.3
81.03320	2.4
81.06976	10.0
83.08524	2.9
84.08027	0.4
85.02830	4.3
86.03134	0.7
86.09614	0.9
91.05394	3.9
93.06966	9.3
95.04862	1.1
95.08529	11.3
97.02812	0.7
97.06467	0.5
97.10119	0.5
98.97494	1.7
99.04367	1.1
100.11166	0.8
100.15317	0.5
103.03874	2.7
104.10728	0.6
105.03332	0.6
105.06975	8.9
107.08531	5.9
109.02827	1.1
109.06493	0.8
109.10096	5.5
111.08026	2.6
116.98560	2.4
117.06962	2.3
119.08530	6.0
121.10098	4.3
122.02687	1.0
123.11639	1.0
127.03867	3.0
129.06943	1.8
131.08533	5.9
133.10077	6.5
134.99606	1.1
135.11633	3.4
139.07541	0.9
143.08519	7.1
145.04926	0.6
145.10074	10.1
146.99600	0.5
147.10637	0.5
147.11685	7.2
149.13234	2.9
151.03825	0.6
157.08717	0.6
157.10094	11.5
159.11636	12.6
161.13223	5.1
163.05962	0.6
169.10062	0.5
171.11656	6.4
173.13159	3.6
175.14761	1.0
177.00601	0.7
177.12666	1.1
182.15378	1.0
184.07300	0.7
185.13203	11.4
187.14761	1.9
199.14806	7.3
200.15543	0.8
201.16321	2.3
203.14284	2.3
213.16348	8.8
217.15880	0.7
224.24574	0.5
232.88248	0.5
241.19452	30.6
245.15382	0.5
245.38391	0.5
251.09416	1.8
259.20508	100.0
260.20868	3.1
269.10602	2.6
287.19992	23.2
305.20926	3.5
333.20514	0.5
390.20969	1.0
408.21973	7.9
418.20248	2.9
431.16010	0.8
436.21292	1.8
454.22278	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	454.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	10.1
55.01811	9.5
55.05457	1.1
57.03374	8.6
61.02858	8.2
67.87510	0.7
68.99711	4.2
69.03352	41.0
71.04921	5.2
73.02829	9.9
73.45411	0.7
81.03339	38.1
81.06974	0.6
81.94643	0.6
83.01288	0.9
85.02831	100.0
86.09547	0.7
86.19438	0.7
87.00760	41.5
87.04370	0.7
91.03881	4.2
93.06973	1.1
97.02829	38.3
99.04388	20.6
100.11215	0.6
103.03876	6.6
105.01817	29.1
109.02836	31.6
110.07119	3.0
117.01785	6.2
123.02814	0.8
127.03880	56.9
129.01833	5.9
144.97177	0.7
145.04936	21.6
147.02913	1.5
159.02861	17.9
163.05949	1.3
183.77994	0.7
213.03958	1.3
231.04967	12.0
249.05975	2.4
279.03796	0.9
347.77847	0.7
349.38977	0.8
383.87680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80610	4.9
53.03868	8.3
54.31897	4.8
54.81660	5.0
55.01795	6.1
55.05452	50.7
55.05674	5.1
57.03374	9.4
57.07004	8.1
61.02819	6.2
61.21962	5.4
62.12909	5.0
67.05416	8.5
69.03352	45.7
69.03661	5.7
69.06990	99.3
71.04900	7.6
73.02826	43.1
75.93710	5.9
79.05408	15.4
81.03313	35.6
81.06959	25.3
82.06510	7.0
83.04896	9.4
83.08517	13.6
84.08070	9.7
85.02822	100.0
86.03128	8.2
91.05412	8.2
93.06956	27.8
95.08488	9.9
97.02822	35.9
99.04363	41.2
100.11198	68.2
103.03876	67.8
104.04221	10.9
107.08515	10.4
109.02843	11.4
111.04392	7.1
111.11689	9.5
114.09135	10.1
115.03881	9.2
119.01894	10.1
127.03875	72.7
128.04211	15.2
134.21384	6.0
135.11642	13.9
137.02924	7.8
145.04929	24.1
155.01855	9.6
161.02934	8.8
173.02907	28.8
174.03110	12.5
175.02641	10.3
182.15373	32.5
185.02951	7.1
206.63208	6.9
210.15019	11.5
221.67931	6.3
233.05069	8.4
253.57417	8.9
268.99976	6.5
325.12317	9.6
361.70306	6.4
454.26379	9.2
466.10123	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	454.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.9
54.61304	0.5
55.01803	0.7
55.05453	8.5
57.03373	13.1
58.40733	0.5
59.04926	0.5
61.02856	2.7
67.05424	1.1
69.03353	3.4
69.06989	11.3
71.04911	82.5
73.02840	3.2
75.04392	4.8
81.03342	0.9
81.06976	1.2
83.04899	11.4
83.08554	2.0
84.04453	0.6
84.08067	0.8
85.02831	100.0
85.06480	0.7
86.03202	0.5
87.04382	2.0
92.10262	1.0
97.02823	4.5
99.04391	3.1
100.11163	5.0
103.03865	1.1
109.02827	0.9
109.10155	0.5
111.04390	6.1
111.11675	3.2
127.03893	2.5
129.05440	23.6
145.04941	2.4
147.06511	12.2
163.05954	0.6
164.09167	3.0
182.15405	2.6
183.15779	0.7
210.14925	1.1
213.15236	0.5
219.41466	0.5
239.16292	0.6
248.41551	0.6
255.08591	1.2
273.09778	1.2
276.78802	0.6
289.42581	0.7
309.12000	0.9
399.01135	0.6
425.12680	0.7
453.84229	3.2
454.34250	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.8
55.01796	0.6
55.05451	8.3
57.03372	12.8
57.07013	0.5
59.04925	0.8
61.02847	1.0
62.28270	0.5
67.05420	0.8
69.03342	2.7
69.06989	10.0
70.06505	2.4
71.04911	84.7
73.02824	3.0
75.04395	5.4
79.05408	1.1
81.03327	1.1
81.06969	0.9
83.04895	10.4
83.08512	1.2
85.02829	100.0
86.03139	0.6
87.04376	2.1
91.49557	0.5
93.06979	0.8
95.04911	0.6
95.08540	0.9
97.02827	4.4
99.04400	1.2
100.11192	3.8
109.02832	2.3
109.10067	0.7
111.04427	4.2
111.11656	2.7
127.03880	3.9
129.05432	23.0
145.04938	1.3
147.06522	8.9
156.13795	0.7
164.09155	2.7
168.67003	0.6
182.15416	1.4
210.14870	1.0
255.08554	0.9
273.65845	0.5
309.11734	0.9
311.44839	0.6
315.36838	0.8
324.58627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	4.1
55.05437	1.0
57.03363	2.4
61.02839	0.7
67.05418	0.9
69.03352	11.6
69.06965	0.5
69.29678	0.5
71.04557	0.7
71.04912	5.6
73.02821	1.4
74.37170	0.5
81.03337	15.0
85.02826	60.3
86.09638	0.6
92.45077	0.6
95.08539	1.0
97.02818	18.6
99.03722	0.9
99.04386	43.3
103.03877	100.0
105.06982	0.8
109.02834	15.9
109.10108	0.9
119.08475	1.1
127.03871	81.6
128.04214	0.8
133.10068	0.7
145.04932	30.5
145.10078	0.7
161.01236	0.9
163.05983	29.7
177.00768	0.8
187.06004	1.3
189.00706	0.9
205.07019	1.1
216.23685	0.6
239.65045	0.6
240.48280	0.6
244.75388	0.6
252.97054	0.7
271.08093	2.6
279.03830	2.6
289.09152	3.0
307.10172	6.3
309.98093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98881	1.0
53.00240	1.1
53.03877	1.0
53.71837	1.0
54.81421	1.0
55.05445	8.1
55.28507	1.1
57.03367	18.9
57.07009	53.6
59.40388	0.9
63.17896	1.0
64.33016	1.2
67.05427	8.6
67.33212	1.0
69.06985	10.9
71.08547	33.8
81.06983	12.7
83.08532	9.5
85.10098	14.9
89.05933	1.6
92.10770	1.3
95.08527	15.8
97.10088	2.6
99.08035	1.4
101.13724	1.3
109.10110	7.5
122.20892	1.1
137.08673	1.1
140.64722	1.1
161.25728	1.1
211.31436	1.1
257.24658	1.8
282.27863	2.7
313.27319	100.0
314.27686	6.0
401.86783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03361	4.1
57.07009	49.0
62.06008	23.5
62.20893	3.9
67.05425	7.8
67.58124	3.1
71.08546	35.0
81.06975	9.8
83.08537	4.1
83.23093	4.1
85.10093	7.5
88.40059	4.1
92.10923	10.0
95.08514	6.4
98.98390	9.8
103.66305	3.5
109.10134	4.2
155.01047	4.7
202.81332	4.0
257.67111	3.9
282.27896	19.3
313.27310	100.0
314.27820	4.3
393.24042	8.6
476.78244	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	454.2925
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
53.00248	0.2
55.05447	0.8
57.06741	0.3
57.07010	7.0
62.06017	0.2
62.98029	0.1
66.09283	0.1
67.05424	0.6
69.06979	0.7
71.08551	3.1
76.56157	0.1
81.06963	0.7
82.50443	0.1
83.08544	0.6
85.10092	1.1
85.12473	0.2
86.05972	0.2
86.09616	0.2
95.08514	0.6
97.10047	0.3
98.05983	0.3
131.00064	0.1
132.46449	0.1
282.27853	100.0
283.28177	2.9
300.29123	0.2
455.21683	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	454.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05191	1.8
55.05449	37.8
56.96492	2.4
57.07016	2.2
62.18674	1.6
67.05428	3.7
69.03333	2.1
69.06974	7.9
70.06503	8.0
70.90769	1.2
71.04900	1.7
71.51784	1.3
72.77901	1.5
74.54565	1.4
74.60291	1.6
79.05422	3.7
80.69389	1.7
81.03329	2.1
81.06963	8.4
82.06477	9.0
82.08829	1.4
83.04887	6.2
83.08540	33.3
84.04422	3.0
84.08086	5.4
85.02827	2.2
85.06449	2.3
86.09616	3.8
91.05381	2.6
93.06976	2.5
95.08509	2.4
97.02813	2.2
97.06480	1.9
98.09575	2.1
100.07554	12.3
100.11185	96.6
104.10663	2.8
105.06949	1.7
109.10097	3.0
110.05964	1.8
110.07064	1.8
111.04394	21.1
112.07566	5.8
118.12265	2.9
124.99963	2.4
126.09113	3.7
127.03838	1.8
127.08617	2.5
128.07062	14.5
129.05434	2.6
135.11642	2.0
140.07034	3.6
156.63194	1.6
182.15381	58.5
188.75270	1.7
200.16486	3.0
209.16490	23.3
210.14854	61.4
210.16719	2.9
226.19063	2.7
227.17554	5.2
228.15887	8.1
327.26434	2.0
388.26114	1.7
402.33417	1.7
404.52408	1.6
436.31790	15.8
454.26193	3.2
454.32651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81674	2.5
55.05438	5.1
57.07011	43.8
57.40032	1.9
69.06987	2.8
71.06378	2.8
71.08544	27.6
72.08038	2.8
73.06452	3.4
73.61840	2.1
75.45718	2.4
78.60464	2.3
83.08511	3.7
85.10083	16.8
86.09612	4.9
87.04388	3.0
89.05947	100.0
93.06948	4.9
95.08550	5.1
98.98363	4.4
100.63102	2.1
107.06921	2.9
124.99887	3.0
133.08543	34.3
177.11166	3.9
184.07272	4.6
283.17398	18.5
313.27194	3.7
344.81509	2.8
437.34396	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	455.1157
Annotation	Neurodazine
Peak:m/z	Relative Intensity
50.92820	0.6
50.96724	0.5
51.42831	0.5
51.73226	0.6
52.87189	0.5
54.38499	0.5
54.98369	0.5
55.05424	0.7
59.33902	0.6
60.25406	0.6
65.20697	0.7
70.06503	4.4
70.76161	0.6
73.80995	0.6
81.06979	0.7
84.04379	2.4
84.08088	1.2
85.02822	2.7
86.09644	0.7
92.10837	0.8
96.12093	0.7
99.04382	1.1
103.03869	1.4
109.02854	0.8
110.07106	1.4
114.36406	0.7
127.03874	1.5
149.02086	8.0
185.02876	2.6
185.04237	2.6
203.03964	1.2
267.08252	2.9
269.06201	2.8
307.22812	0.7
311.07294	5.1
329.08374	9.1
337.41623	0.7
353.08096	1.0
393.11514	3.8
395.09351	5.6
455.11502	100.0
456.11670	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	455.1157
Annotation	Neurodazine
Peak:m/z	Relative Intensity
54.51080	1.0
66.34341	0.9
80.96436	1.2
132.10072	1.6
178.37083	1.0
257.96945	1.2
370.25415	1.3
373.65121	1.3
455.11548	100.0
456.11829	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	455.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03856	0.9
55.01798	1.3
55.05431	1.1
56.04966	1.7
56.96481	6.0
57.03347	1.1
59.06055	25.7
62.06012	1.4
63.11023	0.8
63.85623	0.8
69.06978	1.2
70.06509	59.6
71.04898	4.0
73.02800	1.1
79.05416	1.5
81.03315	2.0
83.04889	1.6
84.04433	10.5
84.08049	5.2
85.02832	8.6
85.06463	1.6
86.09634	14.9
88.03880	1.8
91.05398	4.4
93.06960	2.0
95.04861	1.7
95.06054	1.2
95.08563	1.1
97.02814	4.1
98.97487	3.9
99.04350	1.7
103.03854	5.3
104.97767	0.9
107.04897	21.0
107.12769	1.0
108.05190	4.4
109.02778	1.1
110.07092	6.7
114.05381	1.0
116.98568	1.6
119.04845	2.0
120.08084	2.3
121.02802	1.5
123.07980	1.3
127.03864	8.1
128.14342	1.1
128.98479	1.1
131.06982	1.9
131.08508	1.7
132.06544	8.0
134.99631	2.0
136.07539	1.1
142.04985	1.5
145.05002	1.4
146.06003	1.3
146.22745	1.2
146.99663	1.6
147.04414	7.8
149.02075	9.5
176.32515	1.1
177.00563	1.6
181.04935	1.4
185.04185	7.7
185.05527	1.0
191.56389	1.2
195.07918	1.3
200.00162	1.0
223.07506	1.8
227.02194	4.7
229.11751	17.3
237.02687	1.5
239.02153	1.7
239.06914	6.2
241.08237	1.2
257.03250	2.3
270.08395	1.5
309.08566	2.0
309.83862	1.2
311.07144	1.4
329.08374	11.4
336.67285	1.4
395.09103	2.4
396.26340	1.2
455.11261	100.0
456.11688	5.9
473.07294	2.0
474.07690	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	0.6
53.03881	0.6
53.95319	0.3
55.01807	0.5
55.05449	14.7
56.94091	0.4
57.03371	12.2
57.07023	0.6
59.04923	0.5
61.02863	2.1
67.05435	1.6
69.03351	4.9
69.06986	100.0
70.06491	0.7
70.07319	1.0
71.01278	0.8
71.04906	55.6
73.02816	4.3
75.04391	7.9
81.03323	2.2
83.04417	0.5
83.04894	13.9
83.08540	2.5
85.02824	93.6
86.03139	0.8
87.04401	1.0
95.04906	0.7
97.02825	5.9
99.04373	1.7
101.05965	0.6
103.03846	1.7
109.02816	1.8
111.04381	7.3
111.05961	0.4
111.11663	30.2
111.82190	0.4
119.98762	0.4
127.03872	4.2
129.04509	0.7
129.05432	17.5
129.12709	24.6
145.04913	0.9
147.06500	9.1
147.13777	6.8
158.87057	0.4
239.16295	0.6
240.59753	0.5
255.08540	0.8
309.11465	0.7
413.49866	0.5
455.18158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47375	1.0
81.07007	1.5
86.14214	1.2
89.05963	2.5
91.41149	1.3
92.10902	2.3
112.16724	1.3
115.59995	1.3
121.15970	1.5
146.06075	1.3
151.78352	1.3
155.24181	1.4
241.52509	1.6
455.33362	100.0
456.33496	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	456.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00227	0.3
53.03709	0.2
53.03891	3.4
55.05455	37.1
55.55833	0.3
57.03374	0.5
60.89240	0.2
61.02853	0.3
62.10030	0.2
69.03358	0.7
69.06992	0.3
70.06528	0.6
71.04901	1.3
77.03831	0.3
79.05409	1.8
81.06971	0.3
83.01277	1.1
83.04903	44.9
84.05231	0.4
84.63558	0.3
85.02837	3.7
91.05425	0.7
95.04905	9.4
95.08554	0.4
97.02863	0.4
101.02299	0.5
101.05952	0.7
105.03341	100.0
105.04485	2.8
106.03671	1.8
109.10143	0.3
110.07136	0.4
111.00722	0.5
123.04382	2.2
127.03864	0.5
129.01784	0.4
133.10120	0.4
150.48993	0.3
184.07263	1.3
251.05513	0.6
257.06555	0.3
279.04919	1.4
299.07593	1.2
321.05991	5.6
339.07111	1.9
370.63089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	1.2
57.03363	1.0
67.05123	0.8
67.05434	13.2
69.03336	2.7
69.06985	6.5
70.06499	1.3
73.02827	2.7
79.05395	0.9
81.06966	0.8
84.04426	0.9
85.02839	4.7
86.09139	1.2
86.09628	20.4
91.05389	3.2
95.08491	0.7
96.08056	1.3
97.02810	3.7
103.03907	1.1
106.06472	0.8
107.04887	3.3
109.10127	9.4
117.05685	0.8
118.06484	10.6
119.04960	5.2
119.07282	100.0
120.05678	0.9
120.08136	5.3
122.05966	3.8
127.03864	1.2
127.11156	2.9
130.06532	5.2
134.05997	23.4
135.04388	1.0
135.06769	14.2
136.07536	1.4
145.04948	1.0
148.07487	0.7
150.05466	6.0
176.06972	4.8
179.08685	0.6
185.09680	0.8
195.07976	0.8
199.42935	0.6
207.08000	1.0
210.06752	0.8
212.08345	0.8
223.07501	2.7
225.09122	0.9
235.07475	2.7
237.09048	3.7
238.08574	0.8
239.10629	1.1
240.10228	1.1
241.08521	3.4
245.73415	0.7
251.06985	0.9
252.10146	14.3
254.11746	20.8
256.09653	7.6
260.39572	0.6
269.12802	35.7
270.11029	1.4
280.09689	4.0
298.10672	8.8
300.12149	0.8
315.13354	58.0
316.13602	3.2
322.17938	0.8
337.19214	1.3
338.17542	1.3
382.20901	0.8
383.19644	5.5
393.17990	0.8
411.19043	1.6
419.32388	0.8
428.21753	16.5
439.18637	5.8
456.20868	5.3
464.12784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1105
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.03883	1.1
57.03363	1.7
69.03345	3.2
70.06509	13.2
79.05357	0.7
81.03324	3.5
81.06973	0.7
84.04436	3.7
84.08078	4.7
84.14659	0.7
84.78795	0.8
85.02827	1.6
86.09622	1.7
86.90071	0.8
88.03883	0.8
90.05483	1.1
91.06794	0.7
98.98409	1.9
99.04382	1.4
102.05521	1.2
103.03857	1.5
107.04903	5.4
110.07110	4.0
114.36329	0.8
117.05522	0.8
127.03889	1.6
146.06052	0.9
147.55009	0.8
158.01561	0.9
159.09145	1.2
167.72899	0.7
172.08633	3.5
187.23727	0.7
191.05832	1.0
216.07539	2.6
231.12291	0.7
237.02565	1.9
239.06831	1.1
243.08739	5.4
249.71912	0.9
299.84082	0.9
350.06000	1.9
359.13504	1.9
361.46191	0.9
389.12833	0.8
414.10782	0.9
429.11401	1.3
439.10059	8.9
457.10959	100.0
457.20963	3.2
458.11243	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2044
Annotation	Tyr Gln Phe
Peak:m/z	Relative Intensity
53.05154	1.1
53.56136	1.2
55.81695	1.1
56.60413	1.1
57.66482	1.2
61.48436	1.2
67.05415	1.8
69.03345	1.4
69.06961	1.8
79.05373	2.0
81.06981	4.5
86.09636	1.8
87.96865	1.3
90.05096	1.1
92.64809	1.3
95.08537	5.1
105.06981	2.9
107.08548	6.2
109.10088	2.8
119.08533	2.3
120.08131	1.4
121.10103	1.8
133.10097	10.5
137.09586	2.0
145.10081	1.9
178.20360	1.2
184.07330	1.4
283.07675	1.6
302.19434	1.5
309.25012	1.3
345.07825	12.8
380.25540	1.4
423.94858	1.6
457.20358	100.0
458.20779	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	457.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	4.9
55.01800	5.0
55.05444	2.2
57.03359	4.1
57.07002	2.4
58.77923	0.9
59.04927	1.1
61.02853	2.5
67.05428	4.4
69.03348	100.0
69.06985	12.3
70.06497	5.5
71.04901	4.0
73.02816	1.9
79.05406	5.3
81.03335	17.5
81.06969	10.3
83.04896	8.9
83.08543	1.6
84.04424	5.4
85.02824	30.9
85.06466	2.1
86.09618	1.7
87.00750	17.5
90.05536	1.0
91.05402	8.2
93.06975	9.4
95.04887	2.5
95.08524	14.8
97.02818	12.9
97.06453	7.4
98.97466	1.1
99.04370	6.9
103.05439	1.3
105.01788	7.2
105.06977	8.1
107.04890	4.5
107.08538	25.0
109.02820	7.8
109.06469	9.3
109.10054	1.8
111.08042	4.3
111.11681	1.1
116.98559	1.7
117.01790	1.3
117.03320	1.4
117.06957	1.2
119.04865	1.8
119.08524	7.1
120.08041	16.7
121.06433	5.4
121.10101	22.5
123.04417	1.7
123.08014	5.8
123.11632	8.2
125.09583	28.5
127.03894	12.4
129.07019	1.3
129.12775	1.1
131.08540	12.2
133.10085	9.8
134.99559	1.1
135.08012	21.7
135.11667	6.8
136.07567	2.1
143.08521	1.4
145.02827	1.9
145.04926	2.1
145.10080	5.4
147.04358	1.5
147.11688	2.3
149.09599	14.2
149.13255	5.5
150.10397	1.4
151.11076	1.3
153.09036	7.5
158.10855	7.8
159.02858	1.7
161.09583	2.1
163.03860	1.7
163.11162	5.1
163.14789	5.7
165.05466	1.4
165.12721	5.3
173.13205	30.1
177.00549	1.4
177.05484	1.6
181.04861	2.5
182.08127	1.6
186.54153	1.0
190.86728	1.1
191.14262	85.7
192.14655	1.9
193.04787	1.4
202.08623	4.1
209.04343	1.6
209.15317	69.6
210.15659	1.7
251.05856	1.0
274.07468	1.0
324.32632	1.1
378.98508	1.1
457.20621	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01790	0.5
55.05442	2.9
57.03363	0.6
59.04908	0.5
67.05427	3.4
69.03352	9.4
69.06978	3.4
70.06513	0.8
71.51521	0.4
73.02820	1.0
79.05416	4.1
81.03316	2.1
81.06977	9.3
83.04940	1.0
83.08531	0.5
84.04440	0.7
84.08076	1.0
85.02820	5.1
86.09635	0.6
87.00767	1.0
91.05401	5.3
92.10251	0.5
93.06962	3.9
95.04901	0.8
95.08533	2.5
97.02821	4.8
99.04389	0.7
105.06979	7.4
107.04893	2.1
107.08545	21.5
109.02812	0.6
109.06462	7.2
109.10109	7.4
115.05396	1.1
117.06951	2.2
119.08509	2.2
120.08022	0.6
121.06435	0.9
121.10103	14.6
122.07239	6.0
123.08016	0.9
127.03870	2.4
129.49930	0.5
131.08531	2.4
133.04903	0.6
133.10097	100.0
133.69652	0.4
134.10452	1.1
135.08028	13.4
135.11662	0.6
137.09595	57.2
138.09962	1.0
144.09412	0.5
145.04990	1.2
145.10066	2.1
147.11656	0.9
149.13245	12.9
151.11168	0.6
158.10892	1.1
163.14777	1.9
164.80530	0.5
173.13246	4.7
191.14255	19.9
209.15340	4.1
247.13184	0.5
361.42963	0.5
457.20404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	4.9
55.01800	5.0
55.05444	2.2
57.03359	4.1
57.07002	2.4
58.77923	0.9
59.04927	1.1
61.02853	2.5
67.05428	4.4
69.03348	100.0
69.06985	12.3
70.06497	5.5
71.04901	4.0
73.02816	1.9
79.05406	5.3
81.03335	17.5
81.06969	10.3
83.04896	8.9
83.08543	1.6
84.04424	5.4
85.02824	30.9
85.06466	2.1
86.09618	1.7
87.00750	17.5
90.05536	1.0
91.05402	8.2
93.06975	9.4
95.04887	2.5
95.08524	14.8
97.02818	12.9
97.06453	7.4
98.97466	1.1
99.04370	6.9
103.05439	1.3
105.01788	7.2
105.06977	8.1
107.04890	4.5
107.08538	25.0
109.02820	7.8
109.06469	9.3
109.10054	1.8
111.08042	4.3
111.11681	1.1
116.98559	1.7
117.01790	1.3
117.03320	1.4
117.06957	1.2
119.04865	1.8
119.08524	7.1
120.08041	16.7
121.06433	5.4
121.10101	22.5
123.04417	1.7
123.08014	5.8
123.11632	8.2
125.09583	28.5
127.03894	12.4
129.07019	1.3
129.12775	1.1
131.08540	12.2
133.10085	9.8
134.99559	1.1
135.08012	21.7
135.11667	6.8
136.07567	2.1
143.08521	1.4
145.02827	1.9
145.04926	2.1
145.10080	5.4
147.04358	1.5
147.11688	2.3
149.09599	14.2
149.13255	5.5
150.10397	1.4
151.11076	1.3
153.09036	7.5
158.10855	7.8
159.02858	1.7
161.09583	2.1
163.03860	1.7
163.11162	5.1
163.14789	5.7
165.05466	1.4
165.12721	5.3
173.13205	30.1
177.00549	1.4
177.05484	1.6
181.04861	2.5
182.08127	1.6
186.54153	1.0
190.86728	1.1
191.14262	85.7
192.14655	1.9
193.04787	1.4
202.08623	4.1
209.04343	1.6
209.15317	69.6
210.15659	1.7
251.05856	1.0
274.07468	1.0
324.32632	1.1
378.98508	1.1
457.20621	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.5
55.05442	2.6
56.03716	0.3
57.03359	0.6
57.07004	0.7
65.03855	0.3
67.05424	3.2
69.03348	6.2
69.06980	2.0
71.04897	0.4
77.58964	0.3
78.15412	0.3
79.05408	5.5
80.47298	0.3
81.03332	1.5
81.06510	0.4
81.06971	7.4
83.04896	1.9
83.08527	0.5
84.53154	0.3
85.02832	2.9
87.00748	1.4
88.81998	0.3
89.56118	0.3
91.05399	5.7
93.06960	4.3
95.04891	1.5
95.08529	2.1
97.02834	1.2
99.04329	0.4
105.01794	0.5
105.06975	7.8
107.04886	3.0
107.08531	23.0
109.02824	1.2
109.06474	5.0
109.10105	7.9
115.05400	1.3
117.06982	2.3
118.07735	0.4
118.72709	0.3
119.08516	3.7
121.06439	1.5
121.10094	16.0
122.07235	6.2
123.08045	0.6
127.03863	2.0
131.08531	3.1
133.10089	100.0
134.10443	2.2
135.08003	10.0
135.11649	0.6
137.09589	56.4
138.09935	1.7
143.08598	0.5
145.10110	1.1
147.11650	1.4
149.09605	1.4
149.13225	9.1
151.11133	0.3
158.10880	1.6
159.02895	0.6
163.14760	0.8
173.13208	5.1
191.14262	27.4
192.14552	0.6
209.15323	2.3
266.00412	0.3
344.00012	0.3
422.01822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2324
Annotation	Vindoline
Peak:m/z	Relative Intensity
55.05454	8.3
57.03367	2.0
58.92085	0.7
62.02921	0.7
64.78687	0.8
65.23925	0.7
67.05431	20.8
67.83006	0.8
69.06990	11.7
74.86433	0.7
77.17693	0.8
79.05397	6.2
80.23399	0.8
81.06973	17.6
83.08526	4.5
86.09625	1.7
88.02158	1.4
91.05397	3.4
93.06950	5.5
95.08514	11.2
104.49147	0.9
105.07002	1.9
107.08542	3.9
109.06503	0.9
109.10110	2.0
119.08505	3.0
120.96598	8.2
121.10101	1.7
123.11723	1.0
124.99949	0.9
133.10098	1.5
135.11673	0.9
156.97421	1.0
174.98477	4.3
176.99152	2.0
184.07335	1.8
195.00229	8.4
211.87895	1.1
213.00032	2.0
337.27185	8.8
359.25446	1.3
377.26453	2.0
439.22131	6.2
456.36185	1.3
457.23132	100.0
458.22968	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12179	1.1
56.71487	1.3
60.92559	1.3
64.46299	1.1
81.06976	1.5
145.03299	1.5
173.67482	1.5
205.08403	12.5
275.16150	3.1
293.17148	2.0
457.25500	100.0
458.25922	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	457.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	26.8
55.16853	4.3
57.07003	5.3
64.44477	4.7
67.05432	40.4
69.06977	24.6
79.05392	28.7
81.06973	51.6
81.14132	4.6
91.05404	26.2
93.06413	5.7
93.06965	36.0
95.08527	100.0
99.09597	4.7
105.06946	38.1
107.08540	53.4
109.10082	52.8
111.07983	10.8
119.08511	44.3
121.10063	43.4
123.11630	8.5
125.09541	5.8
131.08571	8.9
133.10085	40.5
135.11632	31.0
145.10078	10.3
147.11667	21.2
149.13213	19.2
159.11662	27.9
161.13205	24.4
163.14804	9.0
173.13223	20.0
175.14740	8.5
187.14848	8.3
189.16266	9.2
203.17949	7.3
214.55536	4.9
265.82404	5.9
369.31018	5.6
421.34412	8.5
457.36642	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	459.1281
Annotation	Chrysin 7-(4'-acetylglucoside)
Peak:m/z	Relative Intensity
55.01807	0.3
65.03864	0.2
68.03115	0.0
68.99701	0.2
69.03346	0.1
69.22357	0.0
78.84632	0.0
81.03331	0.3
83.25705	0.0
91.05406	1.2
105.03343	0.1
106.36419	0.0
109.02827	0.1
117.61765	0.0
119.04897	0.8
121.02827	0.4
128.06189	0.4
129.06967	0.7
131.04887	0.2
131.08549	0.1
133.02808	0.7
134.03590	0.1
137.02312	7.4
141.06989	0.2
143.08528	0.4
145.02820	1.5
145.06505	0.1
149.02313	0.7
152.06134	0.3
153.06989	1.1
155.08487	0.1
157.06467	1.2
165.06969	0.3
169.06439	0.1
171.08008	1.0
181.06442	2.6
182.07100	0.1
184.05145	0.2
185.06062	0.3
197.05968	0.3
198.06660	0.2
199.07513	11.9
200.07878	0.2
205.68674	0.0
209.05751	0.4
210.06718	0.2
211.07487	0.3
213.05423	0.1
226.06270	0.1
227.06985	5.3
228.07260	0.0
237.05409	2.2
255.06465	100.0
256.06799	1.9
459.12723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1286
Annotation	Chrysin 7-(4'-acetylglucoside)
Peak:m/z	Relative Intensity
53.03891	1.6
53.87629	0.1
55.01802	0.9
55.05429	0.2
56.07298	0.1
57.03364	1.0
61.02858	1.3
61.03102	0.2
67.05426	0.2
67.60477	0.2
68.99695	0.2
69.03352	6.7
69.06966	0.3
70.06508	0.3
71.04904	0.3
73.02819	1.2
78.43529	0.2
81.03336	6.9
84.08067	0.2
85.02342	0.3
85.02831	5.9
86.09627	2.8
87.09964	0.7
91.05401	1.2
92.63477	0.2
93.06979	0.3
95.08503	0.3
95.69208	0.2
97.02823	3.2
99.04407	1.5
103.03870	0.7
107.08524	0.3
109.02829	4.2
109.10087	0.8
110.03261	0.2
110.72959	0.2
115.03880	0.3
119.04931	0.2
121.14876	0.2
124.59513	0.2
126.74461	0.2
127.03876	3.2
128.06137	0.2
129.06952	0.2
131.04913	0.2
133.02806	0.4
133.10103	0.7
134.10381	0.2
135.08081	0.2
135.11615	0.3
137.01344	0.3
137.02318	5.8
137.09618	0.3
137.47797	0.2
143.08484	0.2
145.02841	1.2
145.04941	0.7
149.02277	0.4
153.06970	0.7
157.06531	0.8
171.08006	0.9
181.06454	1.9
187.06042	1.4
199.07515	9.0
209.05930	0.3
226.06233	0.2
227.06989	3.7
237.05426	2.5
239.07060	0.3
255.06471	100.0
256.06784	2.5
279.06534	0.3
297.07654	0.7
458.79880	0.2
459.12836	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1284
Annotation	Chrysin 7-(4'-acetylglucoside)
Peak:m/z	Relative Intensity
55.01801	0.1
55.45263	0.1
64.33621	0.1
65.03866	0.1
68.99706	0.1
69.03345	0.1
74.83749	0.1
81.03333	0.2
83.25636	0.1
85.02806	0.2
91.05408	1.4
99.04361	0.1
105.03322	0.1
119.04891	1.0
121.02811	0.2
128.06175	0.4
129.06946	0.8
131.04890	0.1
131.08537	0.1
133.02831	0.5
134.03563	0.1
137.02313	8.2
141.07007	0.1
143.08517	0.5
145.02798	1.6
149.02324	0.5
151.55733	0.1
152.06148	0.1
153.06976	1.2
157.06453	1.2
158.96814	0.1
165.06978	0.1
169.06468	0.2
171.07993	0.8
176.97112	0.1
181.06427	3.1
182.07205	0.1
184.05205	0.4
185.05942	0.2
197.05983	0.2
198.06725	0.1
199.07510	13.9
209.05930	0.5
210.06837	0.2
211.07463	0.4
227.06989	6.0
237.05421	2.1
247.33871	0.1
255.06459	100.0
256.06805	2.2
337.82892	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	459.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	2.8
55.01814	1.6
55.05455	8.6
57.03364	1.9
57.07008	5.0
63.72975	1.1
63.89945	1.2
67.05431	14.8
68.99725	3.0
69.03367	10.1
69.06987	2.3
70.06519	15.9
70.35763	1.1
72.08080	2.5
81.03346	6.0
81.06982	8.5
83.08543	2.3
84.04426	1.3
84.08073	1.7
85.02836	11.6
85.06470	28.1
86.09667	2.6
87.00760	2.3
89.99447	1.3
91.05435	2.2
93.06973	2.7
95.04877	2.5
95.08544	7.4
97.02840	2.2
99.04390	1.7
100.07561	1.6
100.11201	14.9
103.05453	3.0
105.01829	2.1
105.03336	3.2
105.06985	3.2
106.46037	1.3
107.04913	1.4
107.08545	2.4
109.02827	5.6
109.06474	25.9
109.10113	1.8
111.00744	1.5
111.04391	2.5
120.08086	17.0
121.08416	1.8
123.04391	23.2
123.08029	14.9
125.09599	5.2
127.03900	12.6
127.07533	17.3
137.05934	5.5
137.09605	2.1
139.03903	3.1
147.08029	2.8
151.03896	7.4
151.07518	7.5
155.03294	3.3
159.02887	1.7
164.04636	1.9
165.09087	28.8
168.13751	1.5
169.08598	2.6
175.07622	7.0
182.15439	3.2
184.07381	1.6
193.08582	76.9
194.09032	2.1
210.14928	5.7
210.34811	1.6
211.09636	100.0
212.09917	1.6
255.06499	5.7
435.78958	1.5
455.31543	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82151	0.8
55.01814	10.5
56.04964	4.5
56.96492	1.2
58.99522	10.1
58.99788	1.1
62.06030	5.0
65.03846	1.1
67.05433	11.9
69.03336	1.4
69.06969	0.7
70.02882	0.9
70.06511	25.1
71.04923	0.6
72.04420	4.0
72.08064	1.1
73.01051	0.8
73.02845	1.2
74.00569	4.9
74.05978	1.5
75.01366	39.4
76.02144	14.3
81.03343	1.5
82.06503	1.2
83.06013	3.9
84.04432	31.6
84.08057	7.7
85.02833	5.4
86.09619	3.5
86.98981	6.6
88.02129	3.1
88.03889	3.6
90.05492	5.7
91.05409	1.1
92.10863	1.5
93.06965	0.8
95.04881	4.6
96.04424	0.8
96.08041	1.0
97.02822	1.8
98.05997	1.3
98.97500	0.8
99.04376	3.2
99.07979	1.0
102.05468	3.0
103.03874	8.3
104.01633	22.5
109.02808	0.9
110.07111	8.1
110.84279	0.8
115.08636	0.8
116.01630	48.1
116.07049	1.0
116.98520	1.3
120.08065	3.9
126.05510	2.7
127.03910	5.6
127.04840	0.8
129.06544	5.2
129.10208	1.6
130.04985	6.9
130.06519	1.0
134.99567	1.1
136.06123	0.8
136.07565	3.1
138.05476	19.5
138.09125	6.7
140.07071	8.6
142.03207	3.8
145.04945	1.5
153.06511	0.8
155.08171	0.8
158.02689	100.0
159.03038	1.3
162.07835	1.0
168.04733	10.0
170.02690	3.1
176.03743	35.5
187.05309	1.2
195.05843	5.6
196.04214	1.4
213.06909	20.4
231.96576	0.7
237.02850	1.0
277.39786	0.8
297.14355	1.1
312.10187	1.1
313.08508	11.7
330.11136	31.1
331.11331	1.0
370.10532	8.5
459.08215	6.1
459.14630	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	459.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	1.6
58.58165	1.0
62.18899	1.2
64.28693	1.3
64.80431	1.3
67.05445	1.5
69.06979	1.1
76.47262	1.3
80.61089	1.1
86.09637	2.4
91.05403	18.7
93.07021	1.1
95.08515	2.5
107.08517	1.6
109.06483	2.9
117.06956	17.2
119.04897	100.0
119.08539	2.6
134.09593	3.0
177.09010	1.3
184.07332	1.4
194.11751	9.9
195.63564	1.1
238.12285	6.3
266.11783	2.5
280.22543	1.5
374.78046	1.3
391.14499	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75099	0.6
53.03686	0.6
53.03890	12.7
55.01815	14.8
57.03374	9.3
60.04449	0.8
61.02854	8.3
68.99699	4.7
69.03347	44.3
69.44862	0.7
70.06495	0.9
71.04912	6.5
73.02827	10.2
79.05405	1.3
81.03336	46.3
83.01264	1.1
85.02827	100.0
87.00751	51.4
87.04353	1.2
91.03877	3.9
95.04872	2.8
97.02822	39.9
99.03795	1.2
99.04385	18.5
103.03884	0.9
103.05392	9.4
105.01811	23.8
105.03320	12.0
105.04490	0.8
105.06973	3.1
105.08298	0.7
107.04900	11.7
107.08578	0.9
108.04427	9.8
109.02827	40.1
117.01812	7.7
120.05679	1.0
126.05439	4.0
127.03872	49.9
128.04156	1.1
129.01788	6.0
131.04869	1.2
135.08044	11.0
139.03865	6.0
145.04945	21.0
147.02849	1.1
149.36044	0.9
154.06223	51.3
159.02858	20.0
163.07512	34.9
167.06989	2.9
180.07748	1.7
184.16269	0.9
195.10126	69.4
196.10466	1.7
207.10115	0.9
213.03783	1.7
230.06581	1.0
231.04939	8.2
248.07643	4.5
299.09140	1.7
362.36761	0.8
425.28027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01794	0.4
55.05455	6.6
57.03359	0.4
57.05757	0.4
59.31295	0.2
69.03349	1.1
70.06525	0.2
72.08072	100.0
73.07740	0.2
73.08402	1.0
85.02832	2.3
87.04398	2.0
90.70490	0.3
96.06129	0.2
97.02839	1.1
100.07549	0.4
101.05966	0.3
104.07081	1.0
116.07023	0.3
118.08604	43.0
119.08977	0.3
127.03899	1.5
138.05489	2.4
140.88045	0.2
141.60980	0.3
145.05017	1.0
155.07077	0.2
182.01062	0.3
182.03426	0.3
193.27675	0.2
232.91682	0.2
295.50729	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	461.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94365	0.2
52.59071	0.2
53.03891	0.4
55.01801	0.9
55.77155	0.2
57.03369	0.9
58.46662	0.2
59.23275	0.2
61.02846	1.2
64.33211	0.2
68.99689	0.2
69.03348	1.3
70.06505	1.3
73.02826	1.3
76.02135	1.3
76.74231	0.2
78.56782	0.2
79.05415	1.4
81.06974	0.2
83.01263	0.5
83.04876	0.3
84.04415	0.2
84.08047	0.3
85.02853	1.5
86.09652	0.4
90.05474	1.3
91.05410	1.7
93.06982	0.3
95.04909	2.1
97.02818	0.3
97.06443	0.8
103.03886	2.3
103.05404	0.3
104.01646	0.3
105.03362	0.2
105.04443	0.3
105.06988	0.4
107.04902	100.0
108.05224	0.9
109.02820	0.4
109.06487	0.3
115.05422	0.5
116.01636	1.1
117.06961	1.4
119.04906	1.4
120.08043	0.4
121.02834	1.0
121.06499	0.3
123.04376	1.2
125.05950	0.4
126.05533	0.2
128.06183	0.2
129.06940	0.4
129.10204	0.3
131.04883	1.5
131.08545	0.5
133.02875	0.3
133.06511	0.7
135.08051	0.9
136.07570	0.4
139.07532	0.3
143.04970	0.3
144.05707	0.3
145.06467	3.8
145.10072	0.5
147.04384	3.0
149.05919	0.3
155.04903	0.2
157.06459	0.9
158.02689	1.7
158.18132	0.2
159.04431	0.5
159.11693	0.3
161.02376	1.1
161.05986	0.5
169.06407	0.4
171.04382	2.1
173.05942	1.3
173.09639	0.3
176.03792	0.4
177.05460	0.3
178.07690	0.4
179.03487	0.2
181.06445	0.4
183.04395	0.2
183.07985	0.7
185.05948	1.8
187.03850	0.3
187.11154	0.4
189.05399	1.1
190.07764	0.3
191.08580	0.3
193.06432	2.6
194.07166	0.3
195.07971	0.3
197.05937	0.4
201.05443	1.1
202.07835	0.9
203.08522	0.9
205.04950	1.4
207.08054	0.8
209.06009	0.3
210.06801	0.3
211.03812	2.2
211.07440	0.3
213.05600	0.3
215.10614	0.3
217.04951	1.2
219.08101	1.0
220.08807	0.4
221.09593	1.7
227.06842	0.2
229.04971	2.2
231.07986	1.8
233.11829	0.7
234.06662	0.9
235.05762	0.4
236.08337	0.2
237.09084	0.4
239.06961	0.3
245.09572	0.4
245.11757	0.3
247.05698	0.4
247.07846	0.4
248.08463	0.3
249.09062	2.6
250.06143	0.4
251.07034	0.9
252.07854	0.4
253.08539	0.5
259.05969	0.9
260.08331	0.4
263.06918	2.1
264.07568	0.3
265.08511	1.5
267.10138	1.3
271.05844	0.3
275.07071	0.3
276.07739	1.0
277.08554	4.1
279.10187	0.5
281.07996	1.0
291.06384	0.2
291.10080	1.0
293.07983	2.5
295.09637	1.4
301.07529	0.2
305.08023	5.4
307.09421	0.4
311.09238	0.3
317.07849	0.4
319.09686	1.7
323.09125	4.4
335.09271	1.1
341.10144	6.5
347.09027	1.7
361.10760	0.2
365.10123	4.1
389.10046	0.9
407.11166	1.2
425.12115	1.0
443.12717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90016	0.7
53.03879	2.0
55.01812	1.0
55.05442	6.0
57.03357	1.9
59.04928	0.9
61.02846	1.5
62.88369	0.7
64.33331	0.9
65.03871	1.1
65.38895	0.9
67.05427	27.8
69.03345	20.6
69.06976	2.0
70.06504	11.2
71.01258	1.5
71.04906	10.4
73.02827	1.9
76.02142	1.8
79.05392	1.1
81.03329	11.9
81.06971	6.8
83.04882	8.4
84.04420	2.1
84.05212	1.3
84.08065	4.5
85.02824	47.0
86.09622	2.2
87.04390	1.2
88.03921	1.1
90.05505	1.1
91.05396	1.9
93.06953	1.9
93.53000	0.9
95.04896	2.3
95.08528	4.4
97.02827	16.1
97.06448	3.6
99.04385	40.8
103.03874	58.2
105.06955	1.1
107.04893	21.8
107.08523	1.7
109.02847	13.7
109.06447	1.7
109.10097	55.1
110.07094	1.6
113.05955	7.8
119.08485	2.2
120.08048	5.0
120.25068	0.9
121.06450	2.0
122.07238	11.3
127.03873	63.1
129.10202	1.6
135.08046	1.2
137.06006	1.2
137.09589	100.0
138.09889	1.1
141.05443	2.1
145.04930	24.1
148.57568	0.9
149.09517	1.1
151.03877	42.6
151.04999	5.0
152.04222	16.8
152.05354	2.1
155.09370	1.9
155.10632	49.5
158.02724	2.1
161.09525	1.0
163.05971	19.0
166.03964	1.0
187.05942	1.9
193.06400	1.8
197.11646	1.9
222.33131	0.9
223.94652	1.0
255.06577	1.1
271.08139	3.9
289.08984	1.7
299.09460	0.8
307.10077	4.2
349.01202	1.1
404.70792	1.1
461.23102	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65639	2.2
51.73108	2.5
54.72552	1.7
55.05443	9.4
56.66074	2.1
57.07002	4.0
67.05425	40.5
69.06973	12.5
79.05398	5.0
79.61294	1.9
81.06514	2.4
81.06979	54.7
82.06512	2.8
83.08530	9.3
86.09624	3.0
89.05949	4.2
91.05412	3.0
93.06963	17.1
95.08529	64.9
105.06966	2.7
107.08546	10.2
109.10117	19.7
116.00496	2.9
119.08532	8.6
120.66447	2.0
121.10097	10.6
135.11671	2.2
147.11629	3.1
149.13205	11.1
151.14778	10.3
168.05305	2.2
184.07213	3.0
184.16833	2.9
254.55357	2.4
334.30917	46.0
355.65973	2.3
364.31271	2.5
443.36090	10.0
461.37344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	1.4
54.10447	0.6
55.01809	1.4
56.96510	0.7
57.03362	2.4
61.02851	1.1
68.99688	0.8
69.03354	8.5
70.06510	6.0
71.04917	0.6
71.42357	0.6
72.08067	0.6
73.02837	1.4
77.34747	0.7
79.05402	0.6
81.03341	6.7
81.06979	0.9
84.04426	0.9
84.08071	1.4
85.02827	15.7
85.53723	0.5
85.58949	0.7
86.09626	2.2
87.00748	6.1
87.04382	1.2
91.05392	1.3
93.07009	0.7
95.04914	2.7
97.02820	8.5
98.97502	1.2
99.04395	3.4
101.96375	0.6
103.03901	0.8
105.01818	3.0
105.06974	2.8
107.08567	0.8
108.14626	0.7
109.02814	6.1
109.06480	1.1
109.10081	0.6
111.04398	0.9
119.08518	1.3
121.06432	1.1
121.10106	0.6
123.04362	3.7
123.08022	0.7
127.03848	6.8
129.10242	0.8
131.08549	0.9
133.03165	0.9
133.10114	2.4
135.08022	1.1
140.04662	36.1
143.08499	0.9
145.04939	2.4
147.04416	1.3
149.09601	0.9
153.01813	2.8
155.06999	49.0
156.07390	0.8
156.09242	0.7
159.02844	2.9
159.08023	1.0
161.09451	0.8
173.08104	6.2
173.09447	0.7
197.08057	100.0
198.08492	2.5
199.11174	3.6
211.11134	0.7
217.12253	1.1
247.13330	4.8
261.02817	1.3
301.06824	1.0
393.51212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.19
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27287	0.2
53.03883	0.3
54.81553	0.2
55.01803	1.5
55.05453	4.5
56.04975	0.5
57.03377	0.3
57.30597	0.2
58.99517	1.2
59.04939	2.4
67.05424	0.5
69.03342	0.2
69.07005	0.3
70.06507	3.5
71.04909	5.2
71.06743	0.2
72.04408	0.9
73.80943	0.2
74.05993	1.1
74.09614	0.9
76.02138	9.7
83.04899	100.0
84.04427	5.7
84.05219	0.5
85.02834	0.6
86.09634	1.2
88.02165	0.3
90.05481	5.9
93.06973	0.5
94.73483	0.3
94.96001	0.2
95.08539	2.8
99.04391	0.9
100.02133	0.3
102.05485	0.4
103.03857	0.4
104.01635	2.1
110.07115	1.0
115.73738	0.3
116.01606	3.8
119.04951	0.4
120.08052	0.3
120.92471	0.3
123.08037	1.6
126.05484	0.5
127.03880	0.6
127.04964	1.0
129.10199	0.2
129.80286	0.2
130.03227	0.5
130.04987	1.4
141.09084	3.2
142.03210	1.5
146.06003	0.3
147.04416	1.4
158.02684	8.7
159.04366	0.4
175.05322	1.0
176.03685	3.3
179.06929	0.4
187.05365	0.4
188.07014	0.5
193.06392	10.3
233.05888	2.1
241.06445	0.3
258.05164	0.5
286.04721	1.4
301.06998	3.8
322.10672	3.7
376.76266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	6.8
53.66397	0.6
55.01822	8.5
55.05465	0.9
57.03382	6.0
61.02855	5.9
67.05411	0.7
68.99718	3.7
69.03352	35.9
70.06510	1.1
71.04909	5.2
72.08057	0.5
73.02832	6.1
79.05431	1.2
81.03342	27.0
84.04423	0.7
85.02829	83.3
87.00755	34.5
91.03874	0.9
91.05406	3.4
93.06966	0.8
95.04900	7.1
97.02824	21.5
99.04388	12.2
100.07569	0.7
105.01814	22.5
105.07012	1.7
107.04894	1.4
107.08559	1.0
108.04419	1.1
108.05697	0.7
109.02835	22.0
109.03531	1.3
111.04381	1.4
115.03911	0.9
117.01820	2.7
117.06959	0.9
119.08559	2.8
120.08092	0.8
121.06460	1.5
127.03888	31.2
129.01807	3.2
133.06514	0.6
136.05139	2.8
138.06760	3.7
145.04961	8.9
146.04404	0.7
147.02858	0.8
147.08051	3.4
148.08798	4.3
149.09563	0.8
151.07524	100.0
159.02863	8.4
161.06000	0.8
163.07571	0.7
164.08263	4.5
165.09048	9.2
177.08980	2.4
178.09898	2.6
179.10640	48.5
184.08684	0.8
188.08289	1.6
189.09067	4.3
191.10628	1.6
193.08551	0.7
197.11697	34.7
198.12054	0.9
203.10672	3.8
205.08601	2.7
213.09059	0.8
215.10660	1.0
217.08595	1.0
221.11671	4.4
227.10640	0.8
229.12175	1.2
231.05002	5.4
231.10152	0.9
233.11598	0.9
239.12856	1.2
241.12308	0.8
243.10062	1.2
261.11362	0.7
269.11603	1.1
287.12677	11.2
305.13776	9.8
391.13751	1.0
409.14990	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	462.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	2.4
53.15035	0.3
55.01801	2.2
55.05446	0.6
56.96490	0.4
57.03359	1.9
59.04931	0.6
60.44924	0.4
61.02848	0.9
67.05399	0.8
68.63134	0.3
68.99717	0.6
69.03350	9.0
69.06973	0.8
70.06511	8.5
71.04928	1.2
72.08080	0.9
73.02815	1.7
76.02123	1.4
79.05396	1.8
81.03331	7.0
81.06958	1.9
81.78972	0.3
83.04879	0.8
84.04428	3.1
84.08049	2.4
85.02824	19.7
86.09606	1.6
86.32304	0.3
87.00253	0.4
87.00755	7.1
90.05478	0.7
91.05381	5.2
93.06967	9.7
95.04893	2.4
95.08549	1.1
97.02824	7.6
97.06432	0.7
99.04393	3.7
103.03885	0.5
105.01829	4.5
105.06954	6.5
107.04881	0.6
107.08530	28.9
107.38481	0.3
109.02831	8.0
109.06454	2.2
109.10103	3.1
110.07088	1.6
117.01794	0.5
119.04908	0.7
119.08530	3.0
120.08027	0.8
121.06446	2.3
123.04397	1.4
123.11697	1.1
127.03864	12.1
129.01756	0.4
129.10222	0.5
130.06496	0.6
131.08549	0.5
133.10092	28.6
134.10399	0.4
135.11655	25.1
136.07547	0.9
136.12012	0.6
137.05957	2.3
137.09607	3.1
143.08476	0.5
145.04898	1.9
146.05977	0.8
151.11203	2.5
158.02692	0.5
159.02847	2.7
159.09119	0.9
161.08296	0.7
161.09576	15.6
167.11789	0.5
179.10626	46.6
180.10995	0.7
188.06963	0.7
193.06364	0.7
197.11690	100.0
198.12042	3.0
203.10620	0.4
205.84435	0.4
213.03947	0.9
231.04906	1.8
265.14349	1.6
287.05463	2.2
321.70523	0.4
322.35764	0.4
409.14575	0.4
445.16904	4.9
455.76080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76575	1.9
54.81785	2.4
55.01807	15.4
55.05445	13.7
56.04962	14.7
57.03351	2.9
58.99509	14.2
61.65272	2.8
64.18857	2.1
67.05423	16.5
69.03328	2.4
69.06989	5.0
70.06517	4.2
72.04415	2.9
72.08076	2.4
73.01083	3.5
74.00607	3.1
76.02130	22.4
79.05410	4.2
80.56392	2.3
81.06980	39.7
84.04433	37.5
85.02822	11.0
86.00548	5.1
86.09610	3.8
86.98975	4.7
87.02628	3.3
90.05483	10.9
91.05418	5.9
93.06965	5.1
95.08524	9.6
97.10091	3.1
104.01617	13.6
105.07003	4.1
107.08567	3.4
116.01606	28.4
116.07030	3.1
123.11642	3.7
126.05476	14.2
127.03909	4.7
136.07553	4.4
140.14308	21.5
144.06567	3.7
147.11681	3.2
151.03659	2.5
158.02689	59.5
172.11440	3.2
173.13101	3.1
176.03691	11.1
193.06389	5.2
198.13086	26.6
199.11548	4.4
212.16351	5.9
216.14088	4.0
272.13184	3.0
315.17288	100.0
462.22189	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	462.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	2.0
53.41533	1.2
54.12318	1.3
55.01794	1.6
55.05452	2.9
57.03374	3.1
61.02849	3.7
62.76721	1.6
67.05429	9.7
69.03351	23.1
69.07008	2.0
70.06504	18.7
71.04906	3.9
73.02837	2.0
79.05399	11.8
81.03327	8.3
81.06976	7.2
83.04893	7.3
84.04438	6.3
84.08055	3.6
85.02824	36.9
86.09606	6.7
87.04391	2.9
88.03885	2.1
91.05387	17.9
93.06973	18.9
95.04909	16.9
95.08548	9.5
97.02830	16.3
97.06442	2.9
99.04402	6.9
103.03873	3.4
103.05394	1.6
104.27940	1.6
105.06973	25.0
107.04915	6.6
107.08543	16.0
109.02828	6.7
109.06474	11.5
109.10104	6.7
110.07095	2.9
111.04387	9.8
113.05942	2.6
117.06994	2.7
118.75548	1.8
119.04879	2.2
119.08541	41.3
120.08056	6.4
121.02815	3.4
121.06431	13.7
121.10105	11.9
123.08022	7.7
125.09630	1.7
125.97484	1.8
127.03877	11.3
128.06197	2.1
129.06876	2.2
129.10268	1.7
131.08537	24.1
133.06456	2.9
133.10124	15.0
135.08008	21.4
137.09592	8.0
139.03917	2.1
139.35579	1.8
140.07033	3.5
143.08524	11.1
145.04970	3.3
145.06468	7.7
145.10136	16.8
147.08038	14.6
147.11685	2.4
148.04851	1.8
149.09590	22.1
152.07007	2.5
155.08540	2.7
156.09407	5.4
157.10117	8.3
158.07196	3.5
158.10928	1.9
159.08054	15.2
159.11655	12.0
161.09573	14.9
165.09079	10.5
166.07784	2.0
167.10692	2.7
168.09351	2.7
171.07965	2.8
171.11664	7.5
172.08820	8.5
173.09567	3.5
173.13208	8.0
175.07555	18.0
175.11160	6.7
179.10596	2.6
181.10091	7.7
183.11630	6.8
187.11171	16.5
189.09065	8.6
189.12737	1.8
193.08533	8.3
193.10098	2.6
196.08832	2.5
197.11722	11.0
199.11151	34.1
201.12733	12.3
203.10689	8.5
205.12170	3.0
207.10094	8.1
210.09225	2.0
211.11148	9.3
217.12184	18.6
219.13675	1.9
229.12160	11.8
235.13258	2.7
237.14308	2.0
246.14705	2.4
247.13225	61.5
265.14291	100.0
283.15378	4.0
286.04739	2.9
301.07068	9.9
334.78708	1.7
462.14035	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.9
55.01810	0.8
55.05432	3.2
57.03368	1.4
61.02841	1.3
63.32562	0.7
65.03844	1.3
67.05426	7.5
69.03347	15.3
69.06965	1.3
71.04894	3.3
73.56937	0.7
79.05397	4.2
81.03324	1.2
81.06960	5.1
83.04891	3.1
85.02829	14.7
91.05405	9.6
93.03334	1.2
93.06970	13.5
94.36251	0.7
95.04887	17.9
95.08504	7.1
95.92648	0.9
97.02814	6.7
97.06446	1.4
99.04350	4.0
105.06967	22.8
105.80241	0.9
107.08531	8.2
109.02821	1.3
109.06452	10.8
109.10094	1.9
111.04385	9.4
111.08028	1.4
113.05962	5.7
115.05276	1.0
117.06954	4.3
119.08538	26.3
121.02810	2.0
121.06441	14.1
121.10098	3.9
123.08016	11.6
125.05885	0.8
127.03906	1.4
128.06216	1.6
129.06938	3.3
130.07751	1.1
131.08540	14.7
133.06470	3.2
133.10091	9.4
135.08014	25.1
137.09631	3.9
139.03870	1.2
139.07510	1.9
141.06982	1.0
142.07744	2.0
143.08528	5.5
144.09317	1.6
145.06461	3.2
145.10089	11.4
147.08029	13.5
147.11589	6.0
149.05916	1.1
149.09558	1.8
151.07541	1.1
155.08516	3.8
156.09291	4.2
157.10100	7.9
158.07204	6.8
159.08017	13.5
159.11653	14.2
160.08601	1.3
161.09584	14.3
161.13185	1.4
165.09052	9.4
168.09314	3.6
171.07971	1.9
171.11598	6.0
172.08807	7.7
173.09605	5.9
173.13231	8.7
175.07509	20.9
175.11110	12.0
181.10100	1.1
183.11633	5.3
185.09570	1.5
186.10385	1.1
187.11133	12.7
189.09087	5.0
189.12674	6.7
193.08575	2.5
193.10092	2.9
196.08774	4.6
199.11150	9.7
201.12677	10.9
203.10623	13.5
211.11160	7.8
217.12178	8.5
219.13850	1.4
229.12227	8.8
235.13196	3.3
247.13206	23.4
265.14282	100.0
266.14584	4.2
423.97992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	2.1
55.05452	2.4
57.03379	2.0
58.05928	1.5
60.46251	1.5
61.02852	2.7
62.39368	1.5
64.33208	1.8
66.73314	1.5
67.05434	4.5
69.03363	15.0
69.07011	1.8
69.23154	2.0
70.06488	4.1
70.88398	1.9
71.04913	2.7
79.05362	2.3
81.06957	2.1
83.04884	4.4
83.06009	1.9
83.53241	1.8
84.04431	13.8
84.08066	3.7
85.02827	17.2
86.09637	2.4
91.05401	10.4
93.06973	8.8
95.04888	18.3
95.08503	3.9
97.02791	4.3
97.06503	2.3
105.06976	23.1
107.08531	8.3
109.02883	2.3
109.06474	9.4
109.10087	2.5
111.04380	10.1
113.06052	2.3
117.06949	4.1
119.04895	2.3
119.08527	28.0
121.02841	3.3
121.06493	14.0
121.10135	2.6
123.08009	11.2
130.04967	3.3
130.06540	2.8
131.08513	16.2
132.08058	8.6
133.06505	2.0
133.10071	4.8
135.08046	23.2
137.06012	2.6
137.09575	3.4
143.08490	8.3
144.08080	2.2
144.09302	2.8
145.06502	2.7
145.10091	12.7
147.04366	6.9
147.08025	10.0
147.11597	2.1
149.09583	2.8
155.08527	2.8
156.09299	2.9
157.10135	4.7
158.07239	8.3
159.08003	12.2
159.09161	24.0
159.11659	14.6
161.05928	2.1
161.09581	13.7
165.09088	10.6
170.05974	19.8
171.07999	2.9
172.08820	4.5
173.09506	3.7
173.13208	9.5
175.07527	21.3
175.11133	10.1
181.06245	2.3
183.11734	3.8
185.09683	3.4
187.11153	15.0
189.09073	3.5
189.12793	3.0
193.08540	3.0
193.10184	2.2
199.11147	10.5
201.12708	8.0
203.10695	4.6
211.11179	9.0
217.12236	8.1
229.12119	4.5
244.04039	1.9
247.13213	29.8
265.14301	100.0
428.14462	2.5
437.65164	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25389	1.9
53.00243	3.1
53.03880	10.5
53.53536	1.8
54.10278	1.9
55.01812	5.7
55.05450	22.7
55.05666	2.2
56.96483	2.8
57.03366	13.3
57.07023	2.2
57.79788	2.2
60.94563	1.8
61.77933	1.8
67.05427	58.5
69.03342	13.7
69.06989	71.7
71.04895	14.1
73.06464	5.7
76.56390	2.1
79.05411	64.9
81.03333	33.6
81.06978	83.5
83.04893	5.7
83.08527	11.8
84.04426	3.3
85.02827	39.8
85.06465	3.4
86.09640	3.4
86.44162	2.2
91.05399	51.0
93.06964	44.3
95.04868	30.9
95.08533	40.2
97.02811	15.2
97.06458	22.6
99.04382	34.7
99.08042	3.2
100.11168	4.7
103.03873	41.1
105.03342	82.3
105.06982	54.5
106.03669	36.3
107.04896	15.0
107.08537	56.9
109.02827	46.9
109.06455	17.1
109.10089	15.2
111.04421	2.1
111.08052	3.2
117.06965	19.7
119.08546	40.9
121.10098	20.2
123.08023	5.0
125.05919	2.3
125.09579	3.1
127.03880	77.5
129.06931	4.4
131.08539	34.9
133.06465	3.0
133.10097	18.3
134.64868	2.4
135.08008	14.6
135.11626	4.0
137.09607	12.5
141.06929	3.8
143.07040	27.4
143.08513	10.1
145.04951	14.5
145.10126	32.2
147.11632	9.3
149.09579	23.8
151.11142	3.0
156.06442	2.6
156.20728	2.4
157.10083	3.7
159.11679	14.7
161.08034	10.5
161.09512	3.1
161.13155	3.0
163.11098	5.6
164.14027	2.4
165.09138	2.9
169.04881	3.0
169.10031	3.4
173.09709	2.7
173.13242	5.4
185.13116	2.7
187.11089	3.3
187.14764	8.7
201.16370	20.2
207.13777	3.6
211.14867	5.2
229.07031	2.9
229.15839	25.3
247.16867	100.0
265.17923	40.3
270.13434	2.7
301.06998	18.0
312.36685	2.7
332.59637	2.9
391.20883	3.8
462.15936	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	462.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48200	1.0
55.05447	1.7
57.07020	11.2
58.06532	2.8
60.30978	1.1
67.05421	2.1
70.06509	39.7
71.08540	3.6
72.08073	3.3
79.72148	1.4
84.08066	3.7
85.10090	1.7
86.09613	11.9
88.07549	3.5
89.05955	2.1
95.08533	2.1
114.09071	1.6
132.10178	9.7
146.11700	11.5
172.95116	1.7
176.12807	1.9
184.07242	2.1
190.14406	2.3
190.96277	2.0
268.29968	2.1
294.31619	3.2
312.32434	2.5
356.35147	58.1
357.35562	3.2
400.37677	26.7
460.24847	1.5
462.41434	100.0
463.30173	2.8
463.42004	5.7
475.40964	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.123
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
50.86948	0.1
51.49723	0.1
53.17873	0.1
54.32916	0.1
54.81522	0.2
55.01806	0.2
56.04962	0.8
59.58960	0.1
63.37933	0.1
69.03336	0.2
70.06506	2.3
71.04878	0.2
71.06847	0.2
72.08044	0.2
74.05601	0.2
74.05988	4.6
74.09618	2.3
75.06298	0.3
79.05371	0.2
81.03349	0.2
83.04900	1.6
83.06875	0.2
84.04421	0.8
84.08064	0.7
85.02808	0.8
86.09618	0.7
90.05443	0.2
93.06927	0.2
95.04909	0.2
97.02839	0.2
99.04380	0.2
103.03893	0.3
105.03325	0.9
105.06927	0.2
107.08466	0.2
109.02815	0.3
110.07092	0.2
119.08535	0.3
121.02831	0.3
125.02311	0.2
125.05948	0.2
127.03920	0.3
134.03596	0.4
135.04358	0.6
139.03862	0.4
139.05309	0.5
141.06818	0.2
144.05630	0.2
145.10109	0.2
149.02275	0.2
151.03838	0.8
152.01025	0.7
153.01743	0.3
155.04907	0.2
157.04912	2.3
157.06285	0.4
160.31378	0.2
161.02316	2.6
163.03883	0.2
167.03377	3.5
167.04816	0.7
171.04236	0.2
184.05162	1.2
185.05930	1.5
193.06310	0.3
195.04387	1.6
197.08113	0.3
199.07515	0.4
199.11101	0.2
202.06177	0.3
212.04686	2.1
213.05428	1.6
217.08534	0.4
223.03810	1.0
227.06941	1.4
229.04826	0.3
230.05676	2.0
230.81076	0.2
240.04079	2.1
241.04890	3.8
242.05519	0.3
245.08020	6.0
255.06509	2.1
258.05148	5.7
268.03595	1.9
269.04303	0.3
273.07520	0.7
283.05820	1.4
286.04633	16.5
287.04843	0.3
296.92789	0.2
301.06995	100.0
302.07361	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	463.1233
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
53.03876	0.1
55.23383	0.1
65.25374	0.1
68.99702	0.7
69.03341	0.6
70.06493	0.2
81.03294	0.2
85.02827	0.8
92.10941	0.3
95.35781	0.1
97.02815	0.7
106.19457	0.1
107.04942	0.2
109.02792	0.1
109.66716	0.1
114.05403	0.1
118.04102	1.1
119.04871	0.5
119.99181	0.1
120.87883	0.1
121.02805	0.3
131.04863	0.1
135.08014	0.2
140.01015	0.8
145.05000	0.1
147.08000	0.1
151.07504	1.5
152.07840	0.2
156.05667	0.1
157.06386	0.1
160.05156	0.2
168.00502	4.0
169.01303	0.5
171.74313	0.1
177.35359	0.1
179.10616	0.5
184.05164	0.5
186.01547	6.6
197.11746	0.4
198.21133	0.1
212.04628	0.9
213.05295	0.2
227.03265	0.1
229.04903	0.6
240.04114	1.4
241.04874	0.9
255.06406	0.9
257.04407	0.8
258.05127	3.4
268.03583	0.7
269.04431	0.2
283.05893	0.2
285.03860	11.1
286.04648	99.7
287.04950	3.6
298.67184	0.1
301.06995	100.0
302.07278	3.5
363.80533	0.1
399.76065	0.2
463.21576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46589	1.0
52.83404	1.0
53.03880	6.7
55.05423	1.3
57.03373	4.6
59.88787	1.0
67.05424	1.5
68.08893	1.0
68.79952	1.0
69.03349	15.7
81.03333	45.5
81.06967	1.5
84.04408	6.0
85.02826	54.7
97.02825	42.0
99.04383	2.2
109.02831	100.0
110.03167	5.2
115.03844	2.0
127.03876	22.5
139.03844	2.0
169.04930	9.3
184.07333	1.7
229.06947	1.7
357.28955	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	alpha-Tocospiro B
Peak:m/z	Relative Intensity
51.67579	1.6
55.05451	17.8
55.27092	1.9
57.07014	39.0
60.23879	1.8
67.05426	8.6
69.06987	26.1
71.08549	27.1
79.05433	2.3
81.06981	15.8
83.08543	13.1
85.10104	12.8
91.05388	1.9
93.06968	4.7
95.08532	16.9
97.10102	8.5
99.04400	3.4
105.06995	4.3
107.08548	3.4
109.06459	10.5
109.10098	7.8
123.08022	8.6
125.05961	12.5
127.07493	24.1
127.40575	2.1
133.10117	2.5
135.08032	2.5
137.05850	2.3
139.07518	100.0
149.05968	4.1
149.09560	3.3
151.07620	4.1
169.08655	2.4
177.09102	9.8
204.76099	2.4
301.29099	2.9
319.29953	4.0
397.38675	2.3
417.37198	9.9
438.74481	2.2
445.36618	34.3
463.37726	35.8
487.51309	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	463.3779
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
54.71324	5.8
54.81742	5.7
55.05451	11.3
57.07010	33.3
62.84921	5.8
67.05434	6.2
69.06975	34.3
71.08538	23.4
81.06987	10.7
83.08550	8.1
85.10078	9.1
88.56773	5.2
95.08535	12.4
97.10118	6.1
99.04456	4.9
107.08546	5.9
109.06460	8.4
109.10097	5.9
116.56819	4.8
119.08530	6.8
123.08006	6.4
125.05927	12.4
127.07504	29.8
139.07509	100.0
165.09076	6.3
177.09065	7.2
179.11858	6.1
192.44870	5.7
206.58031	6.0
209.71762	5.0
256.31918	5.4
417.37000	6.8
445.36716	35.0
463.37900	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	3.7
55.01810	5.8
55.05434	0.9
56.04953	2.5
56.96485	0.6
57.03370	4.7
60.04458	0.9
61.02851	3.2
65.03858	0.6
67.05440	0.8
68.99722	0.9
69.03000	1.1
69.03350	17.2
69.06978	0.9
70.06510	23.6
71.04913	2.8
72.08079	1.2
73.02815	3.8
74.05977	1.4
76.02126	1.5
77.81293	0.7
79.05399	2.5
81.03336	16.0
81.06957	0.8
81.74850	0.6
82.07547	0.5
83.01257	0.9
83.04890	1.5
83.06016	1.0
84.04429	10.5
84.08073	6.9
85.02831	34.1
85.04768	0.7
85.06458	0.7
85.08417	0.7
86.03123	0.6
86.05984	1.3
86.09638	5.0
87.00759	13.7
87.04372	1.2
88.03886	0.7
90.05477	1.2
91.03867	1.2
91.05406	11.1
93.06975	10.0
95.04865	3.1
97.02828	12.4
98.05971	1.0
98.97473	0.9
99.04391	7.2
101.07124	0.8
102.05434	0.7
103.03861	3.6
103.05411	7.1
105.01801	8.4
107.04907	4.2
107.08539	5.2
108.04423	2.5
109.02831	10.4
109.06464	0.7
110.07129	8.3
111.04418	0.6
111.07420	0.9
112.08665	0.7
113.05968	0.8
114.05525	0.8
115.08613	0.8
116.98573	2.2
117.01782	0.6
119.04879	2.9
120.05660	0.9
121.06466	18.0
123.04385	1.1
125.09580	9.2
126.05463	1.5
127.03878	15.4
129.06630	0.9
129.10167	3.2
130.04994	1.0
130.15906	0.7
131.04915	2.3
133.02863	0.7
134.99643	0.9
135.08012	2.4
136.07544	0.9
137.05954	12.0
138.06746	1.1
139.07460	0.6
145.04942	4.7
145.06390	0.9
146.05963	0.7
147.04362	1.5
148.05121	1.1
149.05949	6.4
151.03851	3.2
151.07535	2.6
156.07634	0.8
158.02756	1.1
159.02847	2.7
159.09154	1.0
161.05927	0.8
163.07478	0.6
166.06219	10.2
167.06900	0.6
169.04901	2.6
170.05186	0.6
175.07483	1.0
179.06912	1.1
181.08563	100.0
182.08887	1.0
187.07518	0.8
187.14243	0.8
188.07053	1.1
191.07123	0.9
193.06448	1.2
195.10118	2.5
199.09644	12.5
203.07159	0.8
219.01593	0.8
223.09619	5.7
237.02742	1.0
247.09621	1.1
248.07603	1.0
265.10623	1.3
279.07401	3.4
286.04562	0.7
287.04868	0.7
289.10629	3.7
301.06998	3.6
302.07336	3.7
307.11700	6.4
319.13315	0.8
322.10696	0.8
402.18146	1.0
440.48230	0.7
463.17664	5.2
464.18210	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81443	1.0
55.19149	0.7
56.19344	0.9
56.96497	12.5
57.12616	0.8
58.61145	0.8
71.95181	1.3
72.13751	1.0
85.55062	0.9
98.97510	42.8
116.98568	62.6
122.03595	4.3
127.60688	0.9
134.99623	74.2
137.05946	60.7
138.06256	1.4
145.51126	0.9
153.00676	20.7
158.01218	4.6
159.13821	0.9
161.82085	1.0
165.57692	1.0
180.05588	1.0
181.53471	0.9
197.01219	4.2
211.02870	1.2
215.02489	1.0
220.00328	1.3
226.11055	16.5
235.02716	27.4
238.01434	3.9
241.03938	1.1
244.12169	18.9
248.86349	1.1
249.83263	0.9
253.03775	100.0
254.03993	2.1
268.12173	1.6
271.04800	12.0
276.05310	7.1
292.26285	4.4
329.13071	1.4
344.15262	3.3
348.51608	0.9
362.16312	2.0
404.17346	80.5
405.17670	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	464.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69758	3.8
55.05454	39.7
57.03368	32.5
57.07009	9.7
57.49946	3.8
57.93572	4.1
62.06002	8.5
67.05428	100.0
69.06975	30.6
70.06509	6.2
73.46297	4.6
74.09573	4.4
78.16906	4.1
79.05404	36.9
81.06979	78.5
83.04860	5.3
86.09637	9.4
91.05408	11.7
93.06969	56.2
95.08530	57.4
98.98363	6.1
105.06976	9.7
107.08530	23.0
109.10110	27.1
112.99985	80.4
119.08528	12.1
121.10057	6.8
123.11680	7.4
124.99880	6.4
131.08557	7.6
135.11639	8.0
149.02234	6.0
169.02632	11.0
241.70607	6.0
323.26074	36.1
335.25684	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86377	0.6
58.01138	0.6
67.05438	0.7
69.06985	1.0
71.04890	0.7
72.90126	0.9
73.26432	0.6
74.87427	0.7
74.93702	0.6
81.06963	1.2
84.08057	0.9
86.09618	7.9
97.02822	0.8
105.06951	0.7
109.10059	0.8
114.09115	0.9
119.08528	0.8
120.08051	6.6
120.70021	0.8
134.05939	0.8
146.05945	1.2
151.03850	1.1
188.07059	1.8
201.05182	1.2
216.07523	16.4
217.08339	11.3
230.09726	0.7
233.16864	0.8
271.04221	1.7
331.36115	0.8
379.13599	5.8
421.14566	28.6
465.13580	100.0
466.13779	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	466.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61440	1.1
53.00232	1.6
55.01798	2.1
56.96494	2.0
57.03374	36.3
59.04915	7.4
60.04441	2.5
61.02856	2.2
63.63040	1.2
64.82333	1.2
65.03854	1.4
69.03351	100.0
70.06503	7.7
71.04879	1.6
72.63660	1.6
73.02814	2.7
75.04406	10.1
81.03311	5.1
84.04413	3.1
84.08039	6.2
85.02827	71.2
86.09616	6.4
87.03870	2.3
87.04391	58.9
90.05508	2.0
90.16058	1.4
91.05406	2.6
92.10316	2.7
97.02236	3.2
97.02827	65.5
104.05269	1.5
109.02886	1.7
110.07114	1.8
111.04381	1.9
115.03886	55.3
116.04206	1.5
116.07047	1.5
119.04885	2.8
120.08012	1.6
126.05430	1.2
127.03857	7.0
131.27129	1.4
133.04938	49.8
137.02313	61.0
145.04956	3.1
147.04376	11.4
150.07594	11.1
155.03360	46.7
169.04930	1.9
202.59152	1.4
206.76065	1.6
227.02911	1.5
229.07092	1.5
241.06689	1.5
247.12677	2.0
273.52927	1.5
322.10510	1.4
339.10898	5.8
361.87350	1.5
466.15994	2.4
467.19034	16.8
483.15240	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	466.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	4.0
55.01800	1.0
55.05444	0.4
56.04959	0.6
56.96478	0.6
57.03358	2.2
58.19071	0.4
59.04923	0.4
61.02841	1.8
65.10388	0.4
67.05437	0.4
69.03007	0.8
69.03349	14.1
70.06512	12.1
71.04910	4.6
73.02814	2.5
76.02157	0.4
79.05397	0.8
79.61356	0.4
80.86018	0.5
81.03339	9.9
81.03799	0.8
83.01252	0.9
83.04877	0.8
83.58905	0.5
84.04430	5.5
84.08056	2.4
85.02351	0.8
85.02828	18.5
86.05991	0.6
86.09631	0.7
87.04376	0.9
91.05393	2.7
92.50900	0.4
93.06994	0.5
95.04886	0.4
97.02230	0.6
97.02825	13.6
99.04396	14.7
101.07022	0.6
102.05472	0.9
103.03889	8.6
105.06946	2.0
107.04839	0.5
107.65590	0.4
109.02842	5.1
110.07109	3.7
110.62672	0.5
112.08698	0.5
115.05418	10.9
116.98582	0.7
117.02732	0.5
117.06940	2.2
118.06481	0.6
119.08535	0.7
120.08055	0.9
121.06506	0.4
123.08044	0.6
127.03890	15.3
129.10182	0.7
130.06506	7.6
131.07210	0.4
132.08066	9.9
133.06340	0.5
134.99625	0.6
136.07596	1.8
142.06505	63.8
143.07317	7.2
144.08080	14.8
145.04994	3.4
145.06444	0.6
145.08383	0.6
146.06009	0.6
147.04382	0.7
149.05908	0.5
151.03893	0.6
155.05913	0.7
157.07579	0.8
158.05983	6.0
159.06741	3.9
160.07550	100.0
161.07892	3.1
163.05972	0.7
181.05000	0.8
186.09096	0.4
188.07022	9.1
213.04002	0.5
231.06482	0.7
233.11801	0.8
237.02736	1.1
240.92204	0.5
242.09172	0.9
244.09520	0.4
251.12671	0.7
269.71741	0.4
286.11569	0.7
288.61026	0.4
298.75592	0.4
304.11920	2.8
322.12808	1.1
339.07361	1.7
406.14792	0.7
466.16998	48.0
467.17532	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	466.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	23.6
55.05444	7.7
56.04969	3.3
57.03365	2.8
58.99508	2.2
59.04921	1.3
60.05580	1.5
61.01072	3.2
61.33266	1.3
62.73571	1.2
62.99000	3.0
65.03854	2.2
67.05077	2.6
67.05426	74.7
69.03333	6.1
69.06974	7.3
70.02857	2.1
70.06509	48.1
71.04911	25.5
72.04419	8.4
72.08050	2.4
74.00571	7.7
74.02332	1.3
75.02598	1.3
76.02140	2.7
77.00529	3.1
79.05418	10.9
81.03328	3.4
81.06976	15.6
83.04888	3.3
83.06026	11.2
83.08529	2.8
84.04426	62.3
84.08055	13.7
85.01041	1.8
85.02823	14.8
85.06459	16.7
86.05962	1.6
86.09629	21.2
86.98944	2.3
87.02630	2.7
88.02095	2.1
88.03905	1.4
89.00528	9.3
90.05466	15.0
91.05399	10.0
93.06957	5.9
95.04882	3.0
95.06004	1.4
95.08530	1.8
97.02801	2.6
97.10084	7.7
99.02596	2.1
99.05519	1.7
101.04185	1.5
102.05470	6.8
103.02070	2.5
103.03888	1.4
104.01646	10.5
105.06947	8.6
107.04887	8.2
107.08544	13.7
109.02816	2.8
109.06441	1.5
109.10108	46.7
110.07127	12.7
112.08719	1.6
114.05478	1.3
115.05705	2.1
115.08640	3.0
116.01635	24.3
116.07051	1.7
119.04904	1.8
120.08027	1.7
121.06425	1.6
121.10106	1.5
123.04387	6.1
125.05924	1.4
125.09580	19.0
126.05471	58.6
127.03841	5.5
127.04974	6.5
127.11111	7.9
129.06543	17.3
129.10176	1.9
130.04973	9.1
130.06677	1.4
133.10106	6.9
136.07549	10.2
137.05939	2.4
141.06445	2.8
141.07401	3.8
142.03217	2.3
142.06511	1.7
144.06528	43.9
145.04976	2.1
145.05983	1.5
147.08060	1.6
148.07504	1.8
149.02290	2.4
151.03877	6.2
153.06540	2.3
158.02682	57.6
158.03937	2.8
159.08379	100.0
160.07486	1.7
160.08650	1.7
165.05472	3.0
167.08884	2.4
176.03731	23.2
181.04785	1.9
181.06178	1.8
181.08521	2.6
185.09982	6.4
191.04771	6.8
193.06505	2.1
203.10962	6.9
221.09181	1.6
231.06451	2.7
233.11833	1.9
237.02570	1.7
239.06982	1.7
251.12718	2.9
259.05997	2.6
269.13687	2.3
287.05450	2.8
287.14954	1.8
302.14203	7.8
307.92618	1.6
319.16672	14.1
320.15140	7.1
337.17798	43.0
338.18073	2.3
377.17200	17.1
412.72675	1.5
448.20535	1.7
449.20569	1.5
466.16348	2.5
466.22128	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	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	4.0
55.01804	7.2
55.05460	23.9
57.03376	38.5
57.07002	4.9
59.28953	2.8
61.02851	13.7
67.05423	15.6
67.84149	2.7
69.03010	4.4
69.03354	83.9
69.06989	23.5
70.06502	5.1
70.88267	2.4
71.01297	3.3
71.04933	2.4
71.43319	2.5
73.02435	3.3
73.02835	79.1
79.05415	7.5
81.03349	15.8
81.06978	73.4
83.04899	6.1
83.08535	4.9
85.02830	100.0
85.06485	4.2
87.04391	31.2
91.03880	3.3
91.05421	4.7
93.06944	11.3
95.04912	5.5
95.08545	34.5
97.02832	81.7
100.11195	32.7
105.06983	7.1
107.08546	7.0
109.02841	6.0
109.10116	5.3
111.11687	7.2
115.03892	49.2
119.08494	4.3
121.10155	6.4
123.11674	5.0
127.03878	20.1
128.06985	3.7
133.04930	36.6
133.10132	4.6
137.13249	18.3
145.04945	19.6
145.10065	3.6
147.11714	4.4
150.07643	3.3
155.14285	7.3
159.11719	4.9
168.13828	5.3
175.03923	3.3
182.15366	7.0
201.16438	6.9
210.14885	6.3
217.52948	3.5
240.29861	3.0
286.26285	3.2
287.92365	3.0
340.09622	3.6
398.65689	3.3
466.31076	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	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00231	0.9
55.01801	2.5
55.05223	1.0
55.05451	14.5
57.03374	9.1
57.07005	4.7
59.04924	1.5
61.02841	6.6
67.05433	8.4
69.03348	15.2
69.06989	17.2
70.06498	7.1
71.01257	1.0
73.02831	31.0
73.68683	1.1
79.05407	11.9
81.03332	2.1
81.06977	100.0
82.06496	2.4
82.52707	1.2
83.04901	5.0
83.08531	9.1
84.08050	2.8
85.02831	31.9
85.06432	2.0
86.09646	12.0
87.04382	2.6
90.34090	1.2
90.57703	1.1
91.05419	1.9
92.10963	1.7
93.06940	2.3
94.36837	1.5
95.04866	1.7
95.08543	25.2
97.02312	1.2
97.02833	19.5
99.04366	1.3
100.07551	8.0
100.11190	19.3
105.06973	1.6
107.08536	4.5
109.02796	2.3
109.10058	2.5
111.04393	14.9
112.07540	5.5
114.09127	1.7
115.03854	8.3
123.11663	1.9
127.03867	7.3
128.07013	9.7
129.05403	1.2
133.04919	8.2
133.10101	1.7
135.11665	1.3
137.13213	17.8
140.07027	1.7
145.04918	7.8
151.65222	1.1
157.11868	1.3
168.13800	20.6
169.14160	2.6
182.15372	23.9
183.15674	5.1
184.07268	1.4
196.13303	12.7
197.13615	1.6
209.16551	3.8
210.14848	20.8
211.15181	6.0
259.08047	2.1
295.10336	1.6
295.23700	4.4
323.54028	1.1
337.20947	2.4
422.30014	16.8
423.30325	11.6
466.00781	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47735	2.0
56.96470	2.0
57.06996	13.6
65.03860	2.3
68.88864	2.0
69.06989	2.9
70.06516	28.0
71.08524	4.6
81.06963	2.8
85.53201	2.1
86.09612	9.6
88.07549	31.1
95.08529	3.0
102.09108	20.3
119.08540	3.2
122.09641	2.1
129.67235	2.3
139.03836	2.4
149.02319	98.5
149.03410	6.1
167.02454	2.1
172.95155	3.4
184.07259	14.0
190.96037	2.3
193.04924	100.0
237.07526	83.9
238.21671	2.4
256.26254	60.0
466.31561	90.4
467.31934	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	466.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07014	43.4
69.06956	5.2
71.08550	34.0
71.44511	3.1
85.10085	17.7
89.05953	100.0
93.45313	3.7
97.33653	3.2
100.38015	3.7
105.00034	3.4
107.06957	5.4
110.03248	3.3
133.08575	31.0
136.23929	3.2
161.47437	3.8
161.75961	3.8
177.11288	4.3
191.21193	3.6
239.14862	19.3
300.16321	3.9
398.36844	3.9
449.38309	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1892
Annotation	Trp Asp Phe
Peak:m/z	Relative Intensity
54.81342	0.7
55.05432	0.6
65.85393	0.6
70.06511	15.7
76.45226	0.5
84.04432	3.6
84.08064	2.5
85.02830	1.1
86.09611	2.5
110.07082	1.1
120.08056	4.7
128.07030	4.6
129.10201	0.6
136.07555	2.9
137.02332	2.9
155.90596	0.6
168.92395	0.6
171.05045	1.0
186.09135	2.4
203.05215	0.6
223.61803	0.7
279.14304	5.3
287.12491	2.6
297.15421	3.0
302.13602	0.9
305.12521	1.2
323.13364	5.5
323.16504	0.6
347.13336	3.9
365.14505	2.7
446.33704	0.9
449.18164	3.4
467.18762	100.0
468.19061	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1888
Annotation	Trp Asp Phe
Peak:m/z	Relative Intensity
57.24893	0.5
61.09109	0.5
66.66380	0.5
67.13040	0.4
70.06503	7.9
80.13078	0.5
83.16589	0.5
84.04414	1.1
84.08067	1.0
89.19094	0.5
101.76559	0.6
120.08043	2.9
128.07048	3.3
137.02290	1.1
142.06625	0.5
171.04987	1.0
186.09186	1.1
271.80121	0.8
279.14392	3.3
287.12405	2.6
297.15509	3.0
302.13538	0.9
323.13336	4.3
347.13428	2.2
365.14401	1.1
390.89087	0.6
449.17886	3.0
467.18781	100.0
468.19040	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	467.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	1.9
55.05450	30.0
56.05781	1.3
57.03147	2.2
57.03378	40.4
57.07012	77.2
62.58919	1.5
67.05083	3.1
67.05424	53.7
68.05755	6.3
69.06990	30.0
70.07299	2.4
71.08188	2.2
71.08547	45.8
79.05392	8.7
81.06971	51.5
82.07298	7.8
83.08534	18.7
85.06455	2.1
85.10101	21.4
85.23197	1.6
86.09618	2.2
89.05918	2.0
90.73348	1.6
91.05360	2.5
93.06966	8.2
95.08526	48.4
96.08887	2.5
97.06449	2.1
97.10092	8.6
98.98399	100.0
107.08485	2.8
109.10096	20.5
110.10394	2.1
111.11655	1.7
112.40516	1.7
112.99966	43.2
116.99400	2.9
119.08536	2.0
121.10075	2.0
123.11662	7.2
124.99983	2.6
136.99977	3.2
143.18587	1.7
155.01010	67.3
169.02617	11.4
184.07281	3.0
239.23746	7.5
263.23758	2.1
313.27304	97.2
337.27255	20.2
338.27664	37.0
370.64401	2.0
393.23901	3.2
449.26572	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	467.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	1.9
56.43350	1.2
56.66190	1.4
57.07005	1.9
58.90760	1.4
66.88174	1.2
67.05440	11.8
69.06977	2.3
79.05412	2.4
81.06970	3.3
81.12604	1.7
83.08542	1.5
86.09619	2.5
89.05962	2.1
91.05393	1.6
92.10901	3.9
95.08546	2.9
95.94794	1.3
109.10039	2.0
115.05396	1.5
118.05901	1.4
118.06511	20.7
124.99900	1.5
130.06471	13.8
132.08069	21.9
142.06511	5.5
143.07262	1.8
144.08055	16.0
146.05984	99.8
159.09149	48.5
160.07510	1.5
170.05974	11.8
184.07390	1.8
188.07033	100.0
205.09694	25.6
421.31516	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81841	0.6
56.96497	1.5
65.32716	0.5
65.48103	0.6
70.06517	0.8
72.36347	0.5
76.02158	0.7
84.04440	1.0
84.08066	0.6
86.09652	3.1
88.03894	0.6
88.14608	0.7
93.06993	1.4
103.05417	6.0
107.04913	2.6
110.07099	2.4
120.08064	100.0
121.08447	1.5
131.04878	1.2
136.06131	0.8
136.07532	0.7
147.04456	0.8
149.06007	0.8
166.08611	21.8
171.76178	0.6
172.95236	0.9
240.05292	0.9
324.13525	0.7
400.63983	0.7
422.58737	0.8
467.18839	1.1
468.19315	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49122	2.1
55.01817	4.3
55.05443	19.7
55.05818	2.2
56.04989	2.0
57.03368	4.9
61.02819	2.2
62.74380	2.4
67.05430	26.4
69.03345	17.8
69.06981	20.0
70.06507	13.1
71.04899	17.4
72.08068	4.4
79.05430	24.4
81.03323	12.0
81.06979	57.9
83.04910	17.8
83.08540	5.6
84.04440	5.4
84.08070	4.8
85.02831	41.6
85.06457	11.7
86.09610	5.4
91.05396	24.1
92.10892	5.3
93.06972	57.3
95.04887	23.7
95.08532	55.3
96.81867	2.2
97.02811	14.4
97.06462	41.8
99.04385	40.0
103.03881	24.8
105.06973	43.2
107.04857	4.1
107.08545	43.5
108.08817	2.9
109.02798	9.2
109.06473	32.9
109.10090	20.1
111.08028	26.0
111.49866	2.1
113.05911	10.5
117.06976	3.7
119.04874	3.2
119.08516	28.1
120.08026	8.9
121.02802	5.8
121.06463	100.0
121.10116	16.7
123.04382	3.3
123.08004	5.1
123.11642	13.1
125.05985	17.3
127.03863	27.6
127.07524	13.3
127.11139	4.1
129.06966	2.3
131.08517	10.4
133.06413	3.7
133.10109	31.7
135.04384	4.4
135.08006	15.2
135.11630	10.0
137.05989	4.5
137.09555	12.3
139.07503	32.1
143.07031	4.3
143.08556	8.9
145.04907	5.4
145.10098	9.3
147.08041	9.0
147.11682	74.9
149.09660	2.9
149.11108	2.1
149.13222	2.4
151.03900	4.0
151.11183	8.9
153.09052	3.1
157.08543	11.4
157.10078	20.8
159.06485	9.7
161.13264	20.4
163.05983	3.8
165.09071	12.8
165.12714	26.9
169.12221	24.6
171.11620	17.1
173.13144	4.1
175.11157	45.8
181.10086	4.1
189.12674	27.9
191.08113	4.6
193.12181	40.3
199.11179	35.3
207.13744	13.7
211.13245	32.3
217.12201	80.5
229.14311	13.3
235.13248	68.1
236.13441	3.9
239.11726	3.8
253.14296	83.7
253.69785	2.6
257.13873	5.2
271.15314	14.5
287.13882	3.4
289.16354	24.8
293.21274	2.6
307.10220	3.7
311.27795	2.8
327.13446	3.3
469.14499	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	468.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.9
57.07001	5.7
58.81503	0.9
60.08099	23.1
66.66973	1.0
67.05423	1.4
69.06959	1.7
70.91616	0.9
71.07293	7.9
71.08520	1.2
71.95789	1.1
73.40382	1.0
76.55967	1.0
78.14794	1.0
81.06950	2.0
85.10079	1.1
86.09627	72.1
92.10219	2.6
95.08521	1.3
98.98392	5.1
104.10676	96.4
113.52375	1.5
124.99956	37.1
136.76964	1.3
143.00996	1.7
184.07301	100.0
186.24944	1.2
186.88251	1.0
190.19937	1.1
235.16170	1.3
285.24170	2.1
390.32034	1.5
450.29517	4.1
468.30746	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	468.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19684	0.1
55.05460	0.2
56.04966	0.2
56.73508	0.2
57.03368	0.8
57.07013	2.2
57.34122	0.2
58.06540	0.3
60.08096	8.8
67.05425	0.4
69.06988	0.4
70.06502	0.4
71.07285	3.9
71.08549	1.2
75.98319	0.2
79.05396	0.2
81.06976	0.5
83.08546	0.3
85.10110	0.4
86.09627	49.3
87.09956	0.2
91.83315	0.2
92.64830	0.2
95.08531	0.8
98.98396	4.8
104.10681	4.1
105.92033	0.2
124.99961	34.6
130.38489	0.2
143.01010	0.4
169.96765	0.2
177.75278	0.2
184.07304	100.0
185.07616	0.8
207.13246	0.2
285.24179	0.8
407.87863	0.2
450.29761	0.5
468.31024	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	468.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68723	1.1
55.05453	3.3
57.07013	49.4
68.29297	1.4
69.06995	6.0
71.08541	32.2
73.06457	7.2
83.08492	1.9
85.10116	16.7
89.05952	100.0
92.68799	1.5
107.07025	1.8
133.08586	23.2
151.06789	1.4
169.19537	1.8
173.18382	1.4
177.11162	13.1
184.07237	2.7
200.26323	1.7
257.24707	3.7
283.17474	18.8
301.27426	2.3
451.36118	27.0
490.77295	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80141	0.2
53.03881	2.8
55.01818	3.5
55.05441	0.6
56.96498	0.4
57.03373	2.4
59.04940	0.3
61.02841	0.6
62.32699	0.3
67.05425	2.3
69.03349	12.1
69.06989	0.4
70.06518	3.4
71.04911	7.5
73.02826	0.7
76.55906	0.3
79.05386	0.3
81.03334	10.4
81.06978	2.5
83.04891	1.1
84.04408	1.3
84.08050	0.7
85.02822	7.0
85.06451	0.3
86.03133	0.3
86.09631	0.4
87.00753	0.3
87.04379	0.4
91.05421	0.6
92.10889	0.6
93.06957	0.7
95.08532	0.6
95.87181	0.3
97.02812	1.8
97.06453	0.3
99.04391	8.8
103.03883	8.1
103.05373	0.4
107.08543	0.6
109.02833	4.4
109.10088	0.6
110.07114	1.6
116.04930	0.3
117.05432	1.3
118.06492	2.9
120.08044	1.7
121.10098	0.5
123.11625	0.5
127.03879	7.7
127.07513	0.3
129.10208	0.4
131.04953	0.6
141.12714	0.5
145.04958	2.3
145.07590	5.9
147.09151	4.7
163.05936	1.5
163.08643	0.6
173.07068	10.9
173.08409	0.6
175.08633	4.6
187.06001	0.4
191.08119	100.0
192.08455	1.5
220.07915	0.3
231.11325	0.3
271.22610	0.5
289.11743	2.2
291.03812	0.3
301.41214	0.3
307.05688	5.4
307.12839	31.6
308.13000	0.6
318.75861	0.3
325.13892	7.8
400.63446	0.3
415.15036	0.4
430.11340	0.4
433.16040	3.0
469.11087	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	469.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	2.9
54.81447	0.7
55.01807	1.5
55.05458	5.9
55.05671	0.8
55.14442	0.6
56.04968	0.9
56.96497	1.8
57.03369	7.2
61.02851	1.4
67.05429	6.5
69.03349	9.9
69.06989	1.6
70.06512	10.8
71.04908	6.3
73.02839	1.7
79.05414	3.5
80.05685	0.6
81.03333	7.3
81.06973	5.1
83.04893	4.7
84.04420	3.1
84.08066	0.9
85.02831	17.1
86.03163	0.7
86.09613	1.1
91.05392	1.5
93.06957	2.9
95.08525	2.7
97.02868	5.7
97.06501	0.8
99.04386	21.5
100.11216	2.6
101.05936	1.0
103.03884	18.9
104.04256	0.7
105.06927	1.0
107.08514	1.5
109.02827	5.4
109.10109	3.3
110.07088	1.7
117.05441	2.9
119.08540	1.0
120.08047	4.1
121.10062	1.1
123.11656	0.9
124.03846	1.0
127.03880	17.4
135.11656	0.9
137.09596	0.8
145.04956	6.3
145.07584	4.0
146.08374	3.1
147.09149	100.0
159.09143	10.1
160.09955	4.5
161.09561	0.9
161.10721	3.5
163.05986	3.3
164.07030	1.0
173.10669	1.2
185.10495	0.8
189.10199	12.1
191.08122	47.3
192.08655	1.1
199.12199	1.0
203.11749	1.2
219.11255	2.8
244.19032	0.8
245.12817	6.1
253.21616	0.8
253.70930	0.7
263.13815	13.9
271.22620	0.9
281.14932	13.6
289.09039	1.3
291.03745	1.6
305.15012	5.1
307.09827	1.5
307.12872	5.0
315.73541	0.8
323.15991	3.7
325.13919	11.1
344.07965	0.7
345.18021	5.2
347.15866	1.3
363.19171	8.6
365.16995	9.5
389.16837	5.3
407.18054	13.2
425.19107	17.8
451.16895	4.4
469.18088	40.5
469.33429	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06021	0.3
50.53443	0.3
53.03886	4.6
54.81686	0.4
55.01801	2.5
55.05440	1.5
57.03362	2.5
59.04929	0.3
69.03342	10.5
71.04910	6.0
81.03333	22.1
83.04891	3.8
83.07814	0.4
85.02808	2.6
92.10956	0.5
92.49478	0.4
97.87353	0.4
99.04383	12.4
103.03859	3.0
109.02833	8.4
116.10654	0.7
117.05431	2.1
118.06493	3.2
127.03846	3.2
145.07611	4.2
147.09145	10.0
162.07924	0.7
163.08582	0.9
173.05630	0.8
173.07048	10.6
175.08603	10.9
190.07318	0.8
191.08107	100.0
192.08415	2.7
198.14801	0.5
204.08896	0.7
205.09660	0.7
213.10028	0.4
231.11162	0.7
233.09119	0.7
271.10577	0.9
289.11734	5.1
307.12830	20.2
308.12881	0.7
325.13892	16.4
326.14130	0.9
328.00195	0.4
331.12762	3.6
349.13785	3.7
389.16891	2.1
397.14041	2.9
397.18582	0.4
415.14920	6.7
433.15903	7.9
435.91953	0.4
451.17041	6.9
452.30832	0.6
469.33984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53922	1.0
54.26464	1.0
57.62950	1.0
60.00022	1.0
64.33768	1.3
70.06495	1.7
72.04419	1.4
75.09543	1.1
89.05947	10.4
102.79682	1.2
116.07045	2.9
122.09601	1.3
133.08537	1.9
149.43143	1.3
283.17520	2.3
425.33804	44.4
443.34869	59.7
469.32825	100.0
470.33093	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05254	1.5
53.03882	4.3
53.11246	1.4
53.70304	1.6
53.94589	1.5
55.01805	11.2
55.05458	17.7
57.03376	6.3
57.07007	1.7
59.04943	1.7
60.08080	2.0
60.60801	1.6
61.02851	8.9
67.05430	40.0
68.99708	2.6
69.03354	38.9
69.06983	3.9
70.06518	26.7
71.04909	10.2
72.08076	43.2
73.02822	9.9
79.05392	6.9
81.03344	33.5
81.06976	94.5
81.32632	1.8
83.04886	2.4
83.06041	1.8
83.08540	6.8
84.04430	10.5
84.08047	7.9
85.02829	100.0
85.06465	7.3
85.94138	1.6
86.03123	2.9
86.09637	10.6
87.00759	41.4
87.05531	7.1
87.62297	1.7
91.05404	4.1
93.06981	3.7
95.08531	3.8
97.02821	35.5
98.09615	2.8
99.04388	19.0
99.08061	2.0
100.07526	2.0
100.11196	9.7
103.03857	13.5
104.04227	2.9
104.10699	7.9
105.01808	29.2
107.08506	2.7
109.02840	28.5
109.06387	2.2
109.10087	3.4
110.07104	8.2
111.04397	2.5
111.13895	1.8
112.08649	2.5
115.03845	2.3
116.07045	7.6
120.08049	9.3
121.74519	1.7
123.11662	74.3
127.03875	54.3
127.33347	1.9
128.04222	2.4
128.07014	1.9
129.01805	3.7
130.06586	1.8
133.10123	2.0
134.46794	1.7
136.07562	3.7
139.99504	1.7
141.12726	72.8
145.04962	15.8
151.11192	2.4
158.47772	1.8
159.02870	8.5
163.06006	2.5
182.15352	9.1
183.15652	2.2
184.07314	7.3
187.13290	40.3
195.07655	2.3
196.06017	11.2
198.14853	3.8
205.14369	15.5
210.14871	7.6
213.03937	3.3
226.14334	6.1
231.04927	8.8
256.86118	1.9
354.24042	2.1
384.28915	2.3
452.23962	3.0
453.23441	2.2
469.33740	3.5
470.33585	2.1
499.34509	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	470.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	2.7
54.92342	0.4
55.01815	2.2
55.05452	10.5
57.03373	7.0
61.02857	9.9
61.44130	0.4
67.05418	0.6
69.03350	19.2
69.06989	37.7
71.01344	0.4
71.04902	2.0
71.97211	0.5
73.02826	4.0
76.55904	0.5
79.05401	0.5
81.03329	7.4
81.06966	2.1
83.08546	0.8
84.04433	0.8
84.08059	0.5
85.02828	100.0
86.03195	0.5
87.04388	2.9
91.03888	4.0
95.08553	0.8
97.02825	24.1
99.04387	4.7
103.03902	0.8
108.98274	0.6
109.02832	8.8
111.11669	11.0
114.09107	0.6
119.08478	0.6
127.03878	21.5
140.98669	0.5
145.04936	24.5
148.75836	0.5
163.05984	10.3
182.18095	0.5
190.50427	0.5
263.55579	0.5
325.11472	0.8
363.70056	0.5
462.36572	0.6
495.37234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81274	1.0
55.05444	1.5
56.04967	2.8
56.96496	2.8
57.03363	1.4
62.54026	1.0
63.60955	1.3
67.05418	8.5
69.03342	2.9
69.06975	2.2
70.06148	1.8
70.06510	48.8
71.04901	12.0
71.89703	1.1
72.08050	2.4
79.05407	2.3
81.03339	2.8
81.06953	2.2
83.04905	1.4
83.06020	2.2
83.08542	1.8
84.04427	26.9
84.08078	15.3
85.02818	10.9
86.04292	1.2
86.09623	8.4
87.00802	1.4
91.05413	2.8
93.07008	1.9
95.04862	1.4
95.08501	1.5
97.02859	2.6
98.97510	8.0
99.04382	6.7
102.05450	5.1
103.03882	2.1
109.02828	6.5
109.10118	5.8
110.07125	17.1
112.08699	1.5
116.07027	2.0
116.98532	10.3
119.04898	2.9
120.08017	2.1
127.03881	7.9
129.10204	6.1
130.06477	2.8
131.08525	1.7
134.99641	11.3
136.07445	1.4
139.11159	1.6
143.00134	1.5
145.12259	1.7
147.04398	10.5
148.04726	1.4
153.00700	1.7
157.12218	2.4
158.05936	1.9
161.01199	2.2
164.98550	2.0
177.00716	1.4
182.99640	21.8
183.11298	1.5
195.11209	1.8
201.00691	100.0
219.01749	40.9
219.13966	1.4
221.54216	1.4
230.29471	1.4
237.14943	1.7
240.74361	1.4
242.03148	1.6
243.01813	2.3
267.10938	1.4
271.32797	1.3
278.29584	1.6
286.58856	1.4
309.02808	2.5
309.11926	1.6
322.90158	1.3
327.03790	6.4
345.04889	2.0
351.03854	12.0
369.04871	12.3
387.05685	2.7
411.05563	1.6
425.89240	1.7
433.78458	1.4
471.08908	75.1
472.09656	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81557	0.8
55.01780	0.8
55.05449	6.0
56.04963	0.9
57.03373	8.2
58.54961	0.7
59.04921	5.2
60.04436	1.3
61.02843	1.4
64.33189	0.9
65.72927	0.7
67.05428	76.6
69.03332	3.5
69.06982	2.0
69.13124	0.7
70.06515	10.9
71.04909	100.0
72.05203	0.9
72.08083	0.9
73.08632	0.7
73.28059	0.7
74.05970	1.6
74.09596	1.1
75.04366	4.5
75.17943	0.7
81.03344	0.9
81.06986	9.5
83.04886	4.7
83.08534	9.4
84.04432	5.9
84.08037	3.9
85.02825	40.1
85.06448	4.9
86.05997	0.9
86.09629	1.5
88.03905	1.4
88.18471	0.8
91.05382	0.9
92.10777	0.8
95.47829	0.7
96.77439	0.8
97.02833	2.8
102.05446	1.3
107.04917	1.7
109.10104	72.4
110.07121	7.9
111.04359	1.4
112.03951	0.9
119.04856	1.0
120.08064	1.4
127.03848	2.0
127.11149	28.0
129.05423	4.6
136.07512	1.3
137.17627	0.8
145.12216	59.3
146.06004	1.3
147.06538	1.6
163.13258	48.0
236.26035	0.9
321.69962	0.9
325.18628	1.4
352.79678	0.9
471.18585	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	17.0
56.04971	0.5
56.96495	0.4
57.03371	0.3
57.06993	0.3
65.59047	0.3
67.05429	1.1
69.06986	1.5
70.06510	3.2
71.04943	0.2
72.08067	0.4
79.05396	0.4
81.06994	0.4
82.06511	1.9
83.04895	1.6
83.08539	13.5
84.04440	1.3
84.08051	1.4
85.02818	1.0
85.06469	0.5
86.09621	1.0
91.05400	2.4
94.06434	0.3
95.08495	0.6
98.09612	1.7
98.97511	1.8
100.07550	5.6
100.11185	100.0
101.05936	0.3
101.11518	1.3
105.06968	0.3
105.13987	0.3
106.07342	0.3
109.10099	0.6
109.72653	0.2
110.05980	1.2
110.07098	0.3
111.04375	7.4
112.07587	2.0
116.98591	2.0
117.13800	2.0
119.04866	2.0
121.02867	0.2
126.09134	1.7
127.08630	0.4
128.07028	5.4
129.05417	0.6
134.99606	0.4
137.09593	1.6
138.09987	0.3
139.08670	2.2
140.07037	2.8
147.04367	1.6
147.11632	0.3
165.09056	0.3
175.03882	1.9
177.00658	1.1
181.04951	2.5
182.15369	26.2
183.15701	0.5
192.13760	0.5
207.06436	2.1
209.16447	14.3
210.14862	26.1
211.15202	0.6
221.07260	0.3
226.19179	1.6
227.17441	3.7
228.15974	3.0
245.18512	2.6
257.35440	0.3
277.34433	0.3
292.03949	0.3
326.28094	1.3
336.22906	0.6
337.21255	0.4
339.03909	0.3
343.30527	2.1
390.39847	0.3
435.33066	0.5
453.34268	4.3
471.35324	65.8
472.35654	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	473.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75707	0.7
52.74862	0.9
52.97997	0.8
53.09963	1.0
54.12546	1.1
56.10293	0.9
56.96490	7.3
57.77543	0.9
58.10575	0.9
60.71030	0.9
61.27864	0.8
84.52354	0.9
86.09653	1.0
91.04234	1.0
100.58984	1.2
102.92529	2.0
125.00049	1.1
136.93120	5.3
146.99576	2.2
154.78554	1.0
154.94148	25.0
167.02142	1.1
172.95201	100.0
190.96243	95.5
195.96741	2.5
208.97293	2.1
210.96817	9.5
213.97894	1.1
216.97905	1.2
228.97810	38.9
230.99396	2.5
246.98874	9.6
319.19296	10.2
335.18991	1.8
337.20483	28.5
338.20749	1.2
341.37842	1.2
355.21512	1.1
360.21848	1.2
399.16251	1.7
410.08380	1.1
417.16946	1.8
421.44916	1.1
455.18338	10.3
457.26041	1.1
473.19696	88.1
474.19968	5.8
496.21411	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	473.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	1.6
56.96499	11.6
60.65823	0.9
65.67668	1.1
67.05418	1.5
69.06978	1.4
80.95048	1.2
81.06991	1.4
83.08593	1.0
86.09631	5.0
88.39970	1.1
90.54265	1.1
93.06984	1.3
93.94415	1.1
95.08525	1.5
102.92542	2.4
110.40257	1.1
117.85591	1.1
136.93137	4.9
146.99686	1.5
154.94118	19.2
172.95197	100.0
184.07362	6.3
190.96254	90.9
195.96793	6.4
197.83656	1.1
205.98007	1.2
210.96776	11.0
228.97815	38.0
230.99356	1.2
246.98906	8.8
255.60062	1.1
315.59427	1.2
319.19284	8.4
337.20419	32.2
353.55777	1.3
399.15714	1.5
417.17068	1.9
455.18509	9.6
472.24661	1.4
473.19675	82.9
474.20267	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55729	0.6
53.03918	0.6
53.54733	0.6
54.97680	0.7
55.01811	1.0
55.05445	4.9
57.03372	5.0
57.64528	0.7
60.71384	0.7
62.78728	0.7
67.05441	1.8
69.03343	12.0
69.06995	1.9
70.06510	4.5
72.08041	0.9
73.02842	1.9
79.05385	1.3
81.03323	1.5
83.04909	1.5
83.08561	2.0
83.68330	0.7
84.04418	1.0
84.08041	0.8
85.02832	11.7
86.09640	1.6
87.00794	0.8
87.04395	5.3
91.05395	3.2
92.10298	0.8
93.06992	1.2
95.08492	2.8
97.02818	9.3
100.07543	1.9
100.11192	15.7
101.11491	7.2
105.06965	1.5
107.04929	1.0
109.02881	1.1
110.07095	1.2
111.04362	1.5
115.03864	3.6
119.08537	2.0
121.10095	1.1
123.08021	1.4
127.03926	1.1
130.06500	1.8
133.04912	1.6
133.10162	1.4
137.09669	0.8
143.07295	1.1
144.08061	30.0
148.07579	1.6
149.03011	0.9
149.09613	5.3
156.08089	1.7
158.02664	0.9
158.09605	17.4
162.09106	12.5
168.08080	3.9
174.09067	1.9
181.04903	4.0
182.15236	2.0
183.15729	3.6
184.07552	1.8
184.16002	1.1
186.09094	14.6
189.12761	1.4
193.75195	0.9
201.03612	1.0
204.10124	14.2
207.13824	4.2
209.16527	3.0
210.14941	1.5
210.16824	3.1
211.15172	1.5
211.17082	0.9
212.15349	1.0
212.36458	0.9
227.19469	1.0
276.12363	3.2
283.07855	4.8
285.05923	1.5
287.07379	1.3
288.12201	1.4
294.13248	3.9
306.13406	4.3
329.15680	1.7
345.07800	14.2
347.09561	1.3
411.19693	1.9
455.34860	14.4
456.35138	4.3
473.19839	100.0
474.20117	5.0
480.96454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	3.5
55.01803	2.8
55.05453	3.8
57.03368	2.4
57.07006	3.7
59.04922	0.6
61.02846	2.3
67.05424	14.2
68.99699	1.0
69.03349	14.1
69.06981	1.0
70.06487	1.0
71.04909	3.2
73.02827	2.2
79.05399	2.7
81.03338	14.0
81.06976	18.5
83.04928	1.3
84.04411	0.6
84.08078	1.0
85.02827	100.0
85.06459	6.0
86.03188	0.6
86.09635	0.7
87.00757	15.1
87.04427	0.7
91.03872	0.6
91.05390	5.2
93.06975	7.1
95.04891	2.1
95.08533	54.8
97.02826	10.5
97.06437	0.7
99.04393	5.5
103.05412	0.7
105.01811	7.8
105.06971	10.9
106.97945	0.5
107.04874	0.6
107.08545	8.6
109.02837	7.9
109.06474	4.3
109.10117	10.7
111.04375	0.7
111.08059	0.6
113.05946	4.1
116.06180	0.8
117.01810	1.0
117.06987	0.7
119.08537	14.9
121.06449	1.1
121.10114	11.8
123.08025	15.6
123.11659	66.5
124.11983	1.0
125.05947	6.2
126.98972	0.5
127.03873	11.2
131.08559	2.2
133.06454	0.7
133.10091	2.7
135.08012	0.9
135.11670	5.4
136.06480	0.6
137.09575	6.6
139.07495	0.9
139.32442	0.6
141.05380	0.7
145.04938	3.0
145.10124	2.9
147.08020	3.3
147.11682	12.3
148.09238	0.6
149.09601	23.4
151.07535	3.6
151.14821	0.9
156.09373	1.1
159.02841	2.8
161.13197	5.8
163.11128	2.5
165.12758	4.0
165.49300	0.6
167.10645	3.3
171.11711	1.2
174.10364	2.1
179.14323	0.7
189.12709	13.0
207.13774	48.1
208.14038	0.9
225.14812	23.3
231.04970	1.0
426.12601	0.6
473.19638	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	473.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82011	1.8
57.26184	2.4
57.34764	1.8
59.40321	1.9
76.02129	5.1
86.09630	4.7
132.10089	2.3
197.33586	2.1
301.22568	2.3
307.97122	2.6
473.32309	100.0
474.32639	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	473.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81942	0.5
57.07017	0.4
64.71614	0.4
65.96064	0.4
72.53899	0.4
74.55280	0.4
98.40610	0.4
103.77426	0.3
149.42249	0.4
184.07333	0.8
205.12326	0.7
270.08810	0.5
347.94284	0.4
350.59918	0.5
401.09607	0.5
449.50049	0.5
473.34412	100.0
474.35028	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	0.4
53.03888	1.7
55.05453	67.3
56.05799	0.5
61.58516	0.2
63.85435	0.2
66.89697	0.2
83.01257	1.3
83.04902	100.0
84.05222	0.6
91.32333	0.3
93.06976	0.3
95.08533	0.4
101.05927	1.3
111.00727	0.5
229.07001	2.0
257.06525	6.0
274.24716	0.3
290.99161	0.3
311.11014	1.2
333.94574	0.3
339.10675	2.6
357.11554	1.7
372.95657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01822	0.2
55.38699	0.1
69.03350	0.4
69.06989	4.5
76.25369	0.1
77.80566	0.2
85.02830	1.1
85.63088	0.2
86.09627	100.0
87.09944	1.2
97.02836	0.7
127.03888	0.8
132.10170	37.3
133.10503	0.4
186.62476	0.2
205.01332	0.2
252.39948	0.2
437.95447	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	474.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	1.3
55.01796	4.3
55.05438	1.2
56.96502	0.7
57.03366	2.2
57.07001	2.8
59.04928	0.9
61.02845	2.6
65.03833	0.6
67.05434	6.8
69.03349	9.7
69.06973	3.8
70.06489	1.1
71.04910	8.0
73.02821	1.4
79.05405	4.7
81.03330	7.2
81.06973	5.1
81.53649	0.5
83.04865	0.9
83.08504	1.0
84.04412	1.0
84.08038	1.0
85.02341	0.8
85.02829	19.0
85.06469	5.6
86.09595	0.7
87.00763	8.0
91.05377	5.1
92.11011	0.7
93.06963	6.1
95.04898	5.4
95.08525	9.0
97.02833	5.1
97.06449	2.5
99.04372	4.0
105.01814	5.8
105.06982	8.6
107.08540	13.6
109.02840	5.7
109.06467	100.0
109.10108	27.8
110.06840	0.7
111.08038	2.7
115.05400	0.6
117.01789	0.8
117.06944	4.0
119.08506	6.4
120.08069	0.9
121.02832	2.6
121.06416	0.7
121.10085	8.7
123.08019	14.7
127.03873	6.7
129.06908	0.7
131.08543	17.1
132.05464	0.6
133.10083	12.1
135.08023	41.9
135.11601	0.6
137.09592	1.2
138.43860	0.5
145.04936	3.5
145.10092	3.9
147.11638	3.4
149.09579	3.5
149.13210	2.9
150.10356	0.9
151.03851	0.8
153.09087	3.2
158.10858	4.1
159.02856	1.4
163.14760	0.6
173.13240	17.0
175.14742	2.9
191.14275	49.2
192.18271	0.7
209.15326	43.6
210.15668	1.1
248.86922	0.6
271.05832	1.0
347.48105	0.6
473.27054	0.8
474.26898	0.7
475.21051	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	474.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.7
55.01797	0.3
55.05443	2.2
57.06994	0.4
59.65216	0.3
63.14889	0.3
67.05417	2.2
69.03343	6.2
69.06973	2.2
70.06504	2.4
71.04900	0.6
79.05411	4.7
81.03326	2.2
81.06968	5.9
83.04877	1.9
83.08574	0.5
84.04401	0.4
85.02820	2.2
86.09595	1.2
87.00760	2.2
91.05397	4.6
93.06959	3.1
95.04887	1.5
95.08549	1.5
97.02821	2.1
97.06474	0.4
99.04404	0.7
103.05440	0.4
105.01781	0.4
105.06976	6.9
107.04901	3.1
107.08531	17.7
109.02828	0.8
109.06452	7.2
109.10104	7.1
111.08079	0.4
115.05425	0.5
116.98561	0.5
117.06969	2.7
119.08496	2.9
120.08048	0.5
121.06443	1.7
121.10089	12.4
122.07240	4.8
123.08026	2.3
127.03857	2.4
131.08545	2.3
133.10089	100.0
134.10446	2.4
134.91830	0.4
135.08006	11.2
135.11592	0.7
137.09586	58.4
138.09946	0.6
145.04941	0.9
145.10103	1.7
147.11678	2.8
149.09590	0.9
149.13225	9.9
158.10864	1.5
159.02895	0.5
163.14806	1.4
173.13219	6.2
177.00749	0.5
191.14267	42.9
192.14613	1.4
209.15317	8.8
231.04977	0.7
243.06491	0.4
271.05878	5.4
347.14127	0.4
365.14853	1.5
403.17078	0.5
421.18335	0.6
439.19485	1.7
453.12283	0.4
494.47226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1235
Annotation	Apigenin 7-(6'-ethylglucuronide)
Peak:m/z	Relative Intensity
53.03877	0.2
55.01796	0.1
60.63128	0.1
65.03863	0.1
67.01788	0.1
68.99710	0.6
69.03356	0.5
73.88136	0.1
76.55886	0.0
81.03343	0.8
85.02827	0.4
87.84018	0.1
89.03775	0.1
91.01843	0.1
91.05405	1.9
92.10260	0.2
97.02809	0.3
99.04381	0.1
104.00744	0.1
105.03341	0.1
107.04919	0.3
109.02813	0.4
110.87675	0.1
111.00752	0.4
111.23199	0.1
115.05409	0.1
117.06993	0.1
119.04909	1.0
121.02829	0.6
125.97314	0.1
127.03873	0.4
129.06903	0.1
131.04890	0.4
131.08553	0.1
133.02841	0.1
133.06467	0.1
137.02333	0.1
141.06952	0.6
145.02849	1.8
145.06488	0.2
147.04391	0.3
147.08026	0.3
149.02325	4.1
153.01807	8.0
159.04404	1.1
159.08020	0.4
165.01816	0.8
169.06456	1.4
171.02757	0.1
173.05945	0.4
175.07466	0.1
181.06505	0.1
183.02908	0.1
183.04373	0.1
185.05927	0.1
187.03896	0.4
187.05966	0.3
187.07535	0.7
190.33968	0.1
197.05949	1.7
200.04811	0.1
201.05438	0.2
203.06996	0.1
213.05460	0.1
215.06999	8.5
225.05392	0.8
226.06268	0.1
227.07016	0.1
229.04892	0.1
242.05713	0.1
243.06476	5.2
244.06863	0.1
253.02527	0.1
253.04890	2.4
271.05963	100.0
272.06290	1.8
475.12064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1233
Annotation	Apigenin 7-(6'-ethylglucuronide)
Peak:m/z	Relative Intensity
53.91452	0.1
55.01805	0.1
59.00105	0.1
61.20628	0.1
64.39291	0.1
65.03857	0.2
67.01778	0.3
68.99695	0.7
69.03341	0.3
70.06497	0.2
77.47550	0.1
81.03294	0.2
84.08028	0.1
85.02809	0.4
91.05399	2.5
92.10242	0.1
95.04875	0.1
97.02805	0.3
107.04893	0.3
109.02831	0.2
111.00739	0.3
117.06925	0.1
119.04900	1.4
120.08080	0.1
121.02840	0.6
127.03840	0.1
131.04903	0.5
131.08560	0.1
133.02800	0.1
133.06477	0.1
133.10095	0.1
135.04364	0.1
137.02328	0.1
141.06956	0.8
145.02832	2.0
145.06435	0.3
147.04361	0.3
147.08011	0.3
149.01143	0.1
149.02309	3.6
150.03055	0.1
153.01793	9.7
155.04854	0.1
157.06425	0.1
159.04353	1.2
159.08020	0.4
165.01805	1.0
169.06450	1.5
173.05946	0.4
175.07384	0.1
177.05415	0.1
181.06488	0.1
183.02821	0.3
183.04294	0.1
185.05946	0.1
187.03923	0.4
187.05986	0.1
187.07454	0.8
191.04889	0.1
197.05922	1.7
200.04724	0.1
201.05350	0.2
210.57564	0.1
213.05438	0.1
215.06979	8.7
216.07370	0.1
219.06435	0.1
225.05397	0.7
226.06308	0.1
227.07007	0.2
229.04947	0.1
242.05771	0.3
243.06465	5.7
253.04865	2.8
271.05939	100.0
272.06241	2.0
279.14911	0.1
350.51245	0.1
475.21454	0.9
475.32303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1234
Annotation	Apigenin 7-(6'-ethylglucuronide)
Peak:m/z	Relative Intensity
50.89555	0.1
55.01806	0.1
62.90347	0.1
65.03857	0.1
68.99705	0.1
69.03352	0.1
70.06511	0.4
81.03321	0.3
84.04414	0.1
85.02812	0.1
89.03839	0.1
91.05409	0.6
93.03336	0.4
94.42896	0.1
97.02844	0.3
107.01249	0.6
107.04889	0.1
109.02794	0.2
109.06456	0.1
115.05399	0.2
117.06944	0.1
119.04906	0.6
121.02806	0.4
125.02295	0.8
127.03864	0.1
129.06912	0.1
133.02812	0.4
134.03604	0.1
135.00720	0.1
137.02328	0.1
141.06967	2.0
145.02820	2.4
145.06454	0.6
147.04361	0.1
149.02327	0.3
153.01804	4.7
153.07082	0.1
153.10210	0.1
155.04865	0.1
157.06355	0.1
159.08026	0.1
162.54333	0.1
165.01807	0.3
169.06444	6.9
170.07059	0.1
173.05978	0.3
181.06471	0.1
187.07487	0.2
197.05940	7.6
198.06526	0.1
215.06995	10.3
216.07320	0.1
225.03209	0.1
225.05408	3.3
227.07045	0.2
242.05588	0.1
243.06470	3.1
253.02179	0.1
253.04875	2.5
271.05951	100.0
272.06265	1.8
272.19604	0.1
313.49841	0.1
475.32224	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	475.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	3.9
55.01818	1.0
55.05460	0.6
57.03364	2.2
61.02855	3.1
65.03877	0.6
67.01796	1.0
67.05416	0.7
69.03346	12.1
69.06962	0.7
70.06512	12.8
71.04910	4.7
73.02829	2.5
81.03343	14.6
81.06969	0.6
83.04893	0.9
84.04425	1.3
84.08072	2.3
85.02830	39.4
86.09634	3.5
87.04388	0.5
90.72786	0.6
91.05390	1.2
93.06962	0.7
93.89823	0.5
95.04898	2.1
95.08539	1.0
97.02828	29.7
99.03725	0.9
99.04389	37.6
103.03880	40.5
105.03376	0.5
105.07002	0.8
107.04906	0.5
107.08581	0.6
109.02841	14.9
110.07120	1.0
110.96844	0.7
114.95753	0.7
115.03935	0.7
116.07014	0.9
119.04914	0.8
119.08566	0.9
120.08054	3.2
123.04387	10.9
127.03880	46.1
136.82176	0.5
145.04935	17.9
147.04404	3.3
151.03893	25.5
153.01785	0.7
163.03922	0.7
163.05974	7.6
165.05437	1.0
169.04933	100.0
170.05310	2.4
175.03911	1.4
175.92815	0.6
177.05492	0.8
181.04958	1.2
187.06009	0.9
189.05487	1.0
193.04927	13.8
193.06532	1.0
205.04893	0.7
207.06479	4.1
207.13734	0.8
211.06003	8.3
213.12350	2.2
215.07051	0.8
217.04988	1.0
231.06535	2.2
235.05928	5.6
259.05981	3.3
271.05902	8.2
271.08249	0.7
277.07028	3.9
431.18661	2.2
474.20224	1.1
475.17499	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2146
Annotation	SILDENAFIL
Peak:m/z	Relative Intensity
51.14654	0.3
53.79830	0.3
54.25504	0.3
55.05433	0.8
58.99511	0.3
59.04908	0.4
67.05419	0.8
69.03339	0.9
69.06979	0.7
70.06491	0.9
73.02823	0.4
79.05419	0.4
81.03338	0.6
81.06972	0.8
81.15713	0.3
84.04424	0.4
84.08038	0.4
85.02827	0.8
86.09624	0.5
91.05395	0.6
93.06947	0.4
95.08561	0.6
97.02805	0.5
105.06952	0.4
107.08546	0.7
109.02792	0.5
109.10040	0.4
119.08533	2.3
124.33265	0.4
127.03893	0.6
127.05003	0.5
133.10072	0.8
149.02307	0.5
153.01805	2.4
157.28481	0.4
164.86276	0.4
175.14772	0.5
215.07001	1.6
225.05458	0.4
243.06451	1.6
271.05966	23.6
272.06320	1.6
329.08362	0.5
331.17221	4.2
373.18356	0.5
413.21341	10.3
415.19254	5.9
457.20444	0.5
475.21432	100.0
476.21863	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	475.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76580	2.0
53.03880	4.2
55.01806	4.9
55.05446	10.6
57.03361	13.7
57.06993	2.4
59.04919	2.6
61.02851	5.5
67.05418	14.1
67.21624	2.7
68.99701	3.5
69.03353	46.3
69.06979	12.1
70.06509	38.6
71.04901	15.7
73.02817	5.6
79.05396	11.1
81.03336	20.7
81.06976	29.7
83.04900	3.6
83.08537	3.2
84.04425	11.6
84.08064	12.6
85.02346	4.6
85.02828	100.0
85.06467	3.8
86.03165	5.9
86.09620	10.2
87.00760	47.3
89.05948	4.3
90.43549	2.3
91.05403	14.5
93.06981	23.7
95.04904	69.2
95.08539	29.5
96.08865	3.0
97.02820	25.5
97.06456	34.4
99.04389	20.6
99.08023	2.5
105.01810	18.7
105.06981	47.8
107.04891	2.7
107.08547	32.3
109.02841	19.0
109.06472	73.7
109.10100	16.0
110.10462	3.1
111.08006	5.5
115.05385	2.4
115.07478	5.2
118.04143	2.5
119.08511	21.0
120.08035	4.1
120.08942	3.1
121.10085	35.2
123.08022	14.8
123.11662	22.7
124.11977	10.6
125.09583	10.2
127.03893	34.7
127.82589	2.3
131.08514	15.6
133.06462	17.5
133.10098	68.7
135.08026	14.2
135.11691	5.5
137.09601	2.8
138.60507	2.9
139.11153	3.0
145.04936	3.9
145.10109	5.3
147.11681	42.2
148.11980	3.3
149.09587	14.8
149.13240	9.2
151.11061	3.3
153.09085	31.7
158.10873	3.4
159.02821	3.2
161.05974	19.3
165.12796	5.9
169.57500	2.4
171.10135	3.2
173.13228	24.5
191.14279	29.3
193.08554	9.4
203.88065	2.6
207.13771	5.7
208.14139	4.8
209.15387	54.0
225.14885	5.9
227.16377	48.3
412.26392	2.9
440.37314	2.7
475.17615	25.8
486.15198	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	475.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	8.4
55.01808	10.8
55.05445	10.9
56.32404	2.2
57.03363	15.6
57.06996	2.6
58.13904	2.2
58.59801	2.3
59.04902	2.8
61.02842	10.1
62.15078	1.9
64.62226	2.1
67.05122	2.1
67.05420	16.8
68.99710	3.5
69.03053	2.3
69.03355	35.7
69.06987	11.9
70.06507	17.2
70.80043	2.4
71.04898	16.2
72.08051	3.0
73.02840	2.7
79.05403	12.3
81.03340	20.8
81.03728	2.0
81.06982	31.8
82.59176	2.1
83.04890	4.3
83.08546	12.8
84.04404	4.0
84.08060	9.1
85.02831	100.0
85.06461	9.8
86.03144	5.0
86.09641	2.7
87.00752	47.7
87.04394	2.3
91.05405	13.9
93.06971	33.7
95.04900	70.2
95.08530	24.5
96.08862	2.5
97.02817	33.4
97.06471	41.1
99.04385	23.5
99.08041	10.0
103.05418	2.5
105.01810	25.8
105.06979	63.4
107.08543	35.5
109.02833	22.2
109.06465	85.4
109.10093	25.8
111.08043	8.6
114.35838	2.2
115.03893	2.8
115.05415	3.8
115.07523	5.7
119.08517	22.3
120.08042	2.5
121.10100	44.6
123.08012	15.2
123.11637	24.4
124.12019	8.9
125.09602	12.1
127.03864	32.5
131.08551	21.1
133.06433	19.3
133.10098	67.4
135.08012	9.5
135.11620	3.9
139.11128	5.4
145.04919	8.8
145.10098	10.9
147.11655	58.6
149.09607	15.3
149.13190	3.8
151.11134	2.9
151.55722	2.1
153.09117	29.0
159.02867	3.9
161.05952	23.6
163.14830	10.5
165.12695	11.3
173.13187	23.7
191.14252	37.6
193.08604	11.7
207.13872	5.1
209.15363	76.8
213.51050	2.2
225.14919	2.9
227.16386	57.9
253.91978	2.5
276.13492	2.3
297.36951	2.5
298.16058	2.4
457.20181	2.5
475.17709	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	475.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	8.4
55.01808	10.8
55.05445	10.9
56.32404	2.2
57.03363	15.6
57.06996	2.6
58.13904	2.2
58.59801	2.3
59.04902	2.8
61.02842	10.1
62.15078	1.9
64.62226	2.1
67.05122	2.1
67.05420	16.8
68.99710	3.5
69.03053	2.3
69.03355	35.7
69.06987	11.9
70.06507	17.2
70.80043	2.4
71.04898	16.2
72.08051	3.0
73.02840	2.7
79.05403	12.3
81.03340	20.8
81.03728	2.0
81.06982	31.8
82.59176	2.1
83.04890	4.3
83.08546	12.8
84.04404	4.0
84.08060	9.1
85.02831	100.0
85.06461	9.8
86.03144	5.0
86.09641	2.7
87.00752	47.7
87.04394	2.3
91.05405	13.9
93.06971	33.7
95.04900	70.2
95.08530	24.5
96.08862	2.5
97.02817	33.4
97.06471	41.1
99.04385	23.5
99.08041	10.0
103.05418	2.5
105.01810	25.8
105.06979	63.4
107.08543	35.5
109.02833	22.2
109.06465	85.4
109.10093	25.8
111.08043	8.6
114.35838	2.2
115.03893	2.8
115.05415	3.8
115.07523	5.7
119.08517	22.3
120.08042	2.5
121.10100	44.6
123.08012	15.2
123.11637	24.4
124.12019	8.9
125.09602	12.1
127.03864	32.5
131.08551	21.1
133.06433	19.3
133.10098	67.4
135.08012	9.5
135.11620	3.9
139.11128	5.4
145.04919	8.8
145.10098	10.9
147.11655	58.6
149.09607	15.3
149.13190	3.8
151.11134	2.9
151.55722	2.1
153.09117	29.0
159.02867	3.9
161.05952	23.6
163.14830	10.5
165.12695	11.3
173.13187	23.7
191.14252	37.6
193.08604	11.7
207.13872	5.1
209.15363	76.8
213.51050	2.2
225.14919	2.9
227.16386	57.9
253.91978	2.5
276.13492	2.3
297.36951	2.5
298.16058	2.4
457.20181	2.5
475.17709	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	475.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03136	0.2
68.51605	0.2
70.06502	0.5
78.91083	0.2
84.04440	0.3
118.82045	0.2
144.74374	0.3
144.92137	0.3
158.83237	0.3
169.52454	0.3
233.29836	0.2
249.15681	100.0
250.16011	2.3
405.48883	0.3
454.49112	0.3
491.51810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48226	0.6
53.03876	2.9
55.05426	0.9
57.03372	1.1
60.20785	0.5
65.03864	2.4
67.05415	3.6
69.03349	7.4
70.06506	0.6
71.04910	1.1
73.02822	1.3
79.05400	5.0
81.03335	7.4
81.05715	1.3
81.06970	0.7
83.04918	1.2
85.02827	13.7
92.04932	5.2
95.04868	1.3
96.08061	7.1
97.02814	5.3
99.04382	13.3
103.03894	9.9
106.06498	53.7
107.06850	1.0
108.08060	57.6
109.02842	5.7
109.05222	1.1
110.05992	0.6
123.06773	8.9
124.06643	1.2
124.07553	36.1
127.03872	16.3
134.05977	33.1
135.06323	0.8
136.07559	14.5
145.04955	3.2
147.04337	0.7
148.07570	1.0
149.19240	0.6
152.07043	100.0
153.07474	0.8
164.06981	1.0
167.22888	0.6
168.84976	0.7
170.08086	28.9
192.10196	0.7
194.08102	0.9
272.97369	0.7
296.11426	1.1
314.12247	1.2
440.15128	0.7
458.16586	10.9
476.17554	87.5
477.17862	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	476.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57537	0.4
53.03886	3.6
55.01814	6.3
56.04965	1.2
57.03363	2.4
60.04460	0.5
61.02841	2.5
67.05447	0.6
68.04944	0.4
68.99702	2.1
69.03005	0.8
69.03352	13.0
69.03703	1.0
69.06988	0.8
70.06144	0.9
70.06511	27.6
71.04891	2.0
71.06845	0.8
72.08068	0.8
73.02821	3.2
79.05415	6.0
81.03336	10.7
83.06026	0.5
84.04433	12.9
84.08070	7.4
85.02833	24.7
85.03355	1.0
85.04762	0.7
86.09638	5.0
87.00757	11.1
88.07536	1.1
91.05389	4.6
93.04455	0.5
93.06957	0.7
95.04894	1.1
96.04427	0.6
97.02823	10.7
98.05979	0.6
99.04383	3.7
101.07096	0.7
102.05466	2.2
103.05395	8.2
105.01803	4.7
105.06976	68.6
106.07332	0.8
107.04882	0.7
108.04420	4.1
109.02139	0.7
109.02831	10.0
110.07112	4.8
112.08646	0.7
113.07071	0.7
115.05412	13.7
115.08646	0.9
117.01822	2.0
118.04098	5.2
119.04921	1.1
120.04382	0.5
120.08026	2.2
120.77615	0.4
121.06450	0.7
126.05463	3.1
127.03880	14.5
129.01775	0.9
129.10197	3.2
131.04883	2.4
132.05663	0.5
133.06461	66.8
134.06726	0.6
135.53772	0.6
138.05444	0.8
143.05026	0.7
143.05991	5.0
145.04948	2.9
147.04538	0.5
149.05968	0.7
159.02867	5.0
161.05949	100.0
161.77293	0.5
162.06310	1.9
167.06973	0.8
193.08566	58.1
194.08904	0.7
211.09726	0.6
223.06239	0.5
231.05098	0.6
237.13498	0.6
248.07623	1.9
266.08704	0.5
282.80356	0.5
283.08582	0.7
453.95883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	6.1
55.01810	9.5
55.05452	5.0
56.09966	1.0
57.03373	11.9
59.04929	1.0
61.02861	8.5
62.72287	1.1
63.66261	1.0
65.48277	1.0
67.05079	2.2
67.05431	65.4
68.60941	1.0
68.99712	2.1
69.03006	2.1
69.03352	45.3
69.06988	5.2
70.06503	2.7
71.04894	7.1
73.02822	4.8
76.02132	5.8
78.48521	1.0
79.05419	14.0
81.03335	31.6
81.06977	11.8
83.01256	1.2
83.04896	2.8
84.04445	9.8
84.08050	2.3
85.02827	99.5
86.09650	2.1
87.00753	38.1
87.04397	5.2
90.05444	4.2
91.05408	48.6
93.06959	6.8
94.06471	1.3
95.04885	2.3
95.08539	2.8
97.02824	31.3
97.06454	1.2
99.04387	12.9
101.02264	1.7
102.05435	1.5
103.05396	1.2
105.01804	35.5
105.03337	1.7
105.06976	27.6
107.04890	2.3
107.08521	4.7
108.04477	1.1
109.02827	26.4
109.06452	8.7
109.10147	1.2
111.04372	1.9
111.08068	1.2
115.03857	5.4
117.01802	2.0
119.08548	11.3
121.02827	6.4
123.07964	1.2
125.05937	8.0
126.05459	1.2
127.03880	38.1
127.07592	1.7
129.01819	2.2
129.06941	4.9
131.08534	21.6
133.04919	4.5
133.10103	100.0
134.10457	1.7
135.08041	1.9
143.08530	1.2
145.04951	11.1
145.10098	2.7
147.11667	9.3
148.06056	1.2
149.05931	1.6
151.03867	7.5
151.11125	1.9
157.10107	6.3
158.02672	6.3
159.02849	8.4
159.07962	1.6
159.11517	1.2
161.09573	1.4
171.11549	1.5
173.13240	1.3
175.11151	9.0
175.14799	4.2
179.48923	1.2
185.13112	1.3
191.14377	1.3
193.06410	2.8
193.12225	18.1
209.15314	1.7
211.13170	1.9
213.03812	1.6
217.12163	1.3
231.04964	7.6
243.17232	1.3
271.06012	2.9
272.06284	1.5
283.13199	5.4
369.14255	1.4
380.12762	1.2
405.15219	2.3
475.21463	2.6
475.32526	4.6
476.21652	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	476.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	1.4
55.01801	1.7
55.05450	3.5
57.03360	1.3
57.06996	0.6
59.65054	0.3
61.02843	1.3
64.33315	0.3
64.50814	0.3
67.05415	0.7
68.99714	0.5
69.03345	5.5
69.06984	9.1
70.14030	0.3
71.04887	0.6
71.59208	0.3
73.02816	1.4
76.02119	0.7
78.75565	0.3
79.05399	1.4
81.03328	4.9
81.06982	2.7
83.08530	2.0
85.02823	9.6
85.06471	0.3
87.00745	6.2
91.05367	2.3
93.06969	2.6
95.08527	5.4
97.02823	4.9
99.04368	1.9
105.01799	3.1
105.06971	11.4
107.08543	5.5
109.02837	4.5
109.10079	2.5
117.01793	0.7
117.06953	1.3
119.08531	41.6
120.08797	0.4
121.10091	4.0
123.11660	0.5
127.03886	5.1
129.01849	0.4
131.08525	1.2
133.10089	41.3
134.10381	0.4
135.11639	1.8
145.04935	1.7
145.10071	2.8
147.11668	8.2
158.02669	1.2
159.01692	0.3
159.02829	2.4
159.11586	0.5
160.12422	1.5
173.13260	1.3
175.14777	100.0
176.15123	3.0
177.16359	1.3
193.15874	3.1
198.09076	0.4
231.05028	0.7
271.05945	0.7
272.06244	0.4
308.95114	0.3
385.76483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	0.2
55.01801	0.2
55.05447	4.6
57.07011	3.7
59.04940	1.0
60.04910	0.1
65.03864	0.3
66.64156	0.2
67.05072	0.4
67.05424	9.1
69.03340	0.8
69.06985	10.1
70.06525	0.3
75.20776	0.2
75.29526	0.2
77.03828	0.2
79.05402	2.3
81.03323	0.4
81.06972	8.2
83.04880	0.2
83.08532	2.9
84.04431	0.2
85.02825	1.8
85.06464	2.1
87.00780	0.7
89.47030	0.2
91.05399	6.7
93.06967	7.5
95.04884	0.9
95.08528	26.5
96.08883	0.7
97.02809	0.8
103.05375	0.3
104.06180	0.2
105.01801	0.3
105.06968	16.3
106.07262	0.2
107.08531	9.1
109.02818	0.3
109.06462	1.0
109.10101	33.3
110.10423	0.7
117.06944	2.2
118.07768	0.2
119.08531	68.6
120.08775	1.7
121.09229	0.2
121.10091	4.6
121.33847	0.2
123.07990	1.6
123.11622	1.6
125.09608	0.2
127.03869	0.8
131.08527	2.3
132.09305	0.9
133.10089	76.7
134.10478	2.0
135.11650	12.0
137.09587	10.0
145.04865	0.3
145.10086	4.9
146.10826	0.3
147.04370	0.3
147.11659	18.4
148.11961	0.4
149.13232	4.4
151.14783	5.0
159.11612	0.9
160.12427	3.5
173.13193	1.7
175.14778	100.0
176.15117	3.4
193.15836	23.1
194.16135	0.8
286.65298	0.2
287.56287	0.2
475.32404	0.4
476.32236	0.8
489.01453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2768
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
51.65960	0.3
55.01806	0.7
55.05452	7.0
56.04983	0.4
62.05991	0.6
67.05424	22.4
69.06989	6.7
73.10668	0.3
78.15071	0.4
79.05404	7.2
81.06970	14.1
82.83661	0.3
83.08537	1.6
85.05202	3.7
86.05979	1.5
91.05389	2.8
93.06962	6.6
95.04866	0.6
95.08528	11.1
98.05978	19.6
105.06951	1.6
105.82358	0.3
107.08549	3.0
109.10092	3.4
112.07535	2.8
119.08540	1.5
121.10122	0.9
123.11635	0.6
124.07458	0.5
134.32005	0.4
135.11649	0.6
138.09117	0.8
140.10637	0.5
146.28035	0.3
149.13228	0.4
153.65219	0.3
154.12233	0.8
166.12253	0.5
168.13782	0.7
169.45644	0.4
173.22774	0.4
182.15434	0.7
194.15192	0.6
194.45441	0.3
196.16992	0.8
208.16901	0.8
222.18474	1.7
234.18477	0.7
248.19986	0.6
304.26270	100.0
305.26611	2.3
459.66931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	19.0
57.03364	6.5
57.81808	4.5
60.69681	3.8
62.06015	44.8
62.06288	5.8
67.05428	51.4
69.06985	9.1
79.05418	43.4
81.06966	51.4
91.05377	20.6
93.06959	51.8
95.08504	32.2
98.98368	8.9
104.78725	4.2
105.07002	10.7
107.08506	19.6
109.10172	7.0
114.37679	4.9
119.08563	6.1
121.10078	8.6
133.10117	5.3
171.23358	5.1
172.95267	4.7
184.07254	8.8
191.90829	4.6
195.00156	5.6
202.97733	4.3
257.35040	4.6
304.26190	7.9
335.25778	100.0
458.26349	5.9
476.27283	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	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	1.2
55.05232	1.1
55.05455	20.2
57.03373	10.1
57.06997	3.5
62.06017	42.9
65.03849	1.7
67.05427	60.3
69.03340	1.9
69.06993	21.0
71.04899	1.5
73.02821	2.1
73.06388	0.7
79.05408	36.7
81.06974	48.8
83.04934	1.7
83.08539	7.6
83.60411	0.8
83.61784	0.7
85.02829	1.4
85.06466	1.9
86.09599	0.9
91.05414	19.1
93.06976	43.1
95.04887	4.5
95.08531	38.4
97.02815	4.4
97.06446	1.6
97.10104	1.7
98.05965	1.4
98.69292	0.8
98.98392	17.9
105.06981	14.0
107.08537	21.7
109.06502	1.0
109.10115	11.8
114.06985	0.9
117.06962	2.1
119.08526	13.3
121.10091	13.9
123.11644	2.1
124.01563	3.4
124.26444	0.8
130.07681	0.8
131.08527	4.7
133.10092	6.7
135.11638	7.8
142.02657	1.9
143.01884	0.9
145.10085	4.2
147.11664	2.1
149.13251	1.8
153.03845	1.0
155.01009	3.6
159.11697	1.6
161.02885	2.0
161.13161	1.8
165.39101	0.9
173.02913	4.5
173.13260	1.9
175.14764	1.0
175.21806	0.8
184.07362	1.2
185.02974	1.2
198.05246	1.0
211.12480	0.8
216.06329	4.5
245.04987	1.7
261.22031	5.5
304.26300	10.8
317.24750	1.0
335.25726	100.0
336.25983	6.8
386.50772	1.0
407.10345	1.5
415.22061	1.6
458.26776	10.9
476.27542	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	476.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10237	1.2
51.97834	1.2
54.43368	1.1
54.54925	1.1
55.05447	11.0
63.44254	1.1
66.24054	1.2
67.05430	30.8
67.06097	1.2
69.06982	7.2
70.24195	1.4
73.92140	1.3
76.55746	1.5
79.05404	12.9
81.06973	27.8
83.08568	1.8
85.05217	2.6
91.05431	2.5
93.06977	9.7
95.08533	16.2
98.05981	19.4
105.06966	3.0
107.08540	3.3
109.10071	2.6
110.69866	1.2
112.07559	2.0
119.08558	2.9
121.10086	2.6
123.11668	2.2
123.99417	1.5
126.09158	1.9
129.40439	1.4
140.10707	2.0
149.13174	1.9
150.37160	1.3
152.10661	1.6
222.18579	1.4
272.53165	1.4
299.21915	1.6
304.26291	100.0
316.14966	1.5
338.76028	1.3
348.15286	1.3
455.52390	1.6
477.28104	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	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49392	1.4
51.59071	1.2
54.82020	1.3
55.01817	2.0
55.05449	11.5
57.06995	2.1
60.92252	1.2
63.25166	1.2
65.03831	1.5
67.05434	33.8
69.06976	8.8
79.05402	11.8
81.06979	24.9
82.60120	1.5
83.08558	1.6
85.05214	3.1
86.09630	1.7
91.05398	7.1
92.64407	1.7
93.06995	12.0
95.08547	17.3
97.67189	1.5
98.06007	28.6
105.06945	2.2
107.08549	5.6
109.10107	6.5
112.07555	2.1
121.10053	2.2
124.07580	2.0
126.92040	1.5
138.09169	1.6
159.11772	1.7
162.81686	1.4
195.70274	1.5
206.19049	1.7
253.30199	1.7
303.77362	1.5
304.26315	100.0
305.26544	2.7
335.25659	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1391
Annotation	Naringenin 7-O-beta-D-glucoside 6'-acetate
Peak:m/z	Relative Intensity
53.03889	7.8
54.81653	0.4
55.01800	1.8
55.05439	0.7
57.03381	3.1
57.03614	0.3
57.38225	0.3
61.02852	1.8
67.01781	3.1
67.05418	0.7
68.99700	1.9
69.03348	24.6
69.06983	0.5
71.04896	2.1
73.02824	2.4
79.05414	0.5
81.03336	36.2
81.06953	0.6
83.01263	0.8
83.04872	0.5
83.08531	0.8
84.04458	0.5
85.02823	17.8
86.09617	0.6
91.05419	3.5
93.06941	0.4
95.04878	2.4
97.02824	18.4
99.04378	6.3
101.87759	0.4
103.03902	0.6
104.60716	0.4
105.03345	0.7
107.04884	2.8
107.08570	0.8
109.02828	18.2
109.10097	0.6
110.07112	0.5
111.00793	0.5
115.03868	0.8
119.04890	9.7
119.08526	0.4
120.04426	3.7
121.02806	0.8
123.04391	3.5
125.02262	0.5
127.03880	14.6
133.10101	0.6
145.04927	2.3
147.04384	34.0
148.28122	0.4
149.02333	1.8
151.03923	0.7
153.01802	100.0
154.02188	0.7
163.03870	0.5
165.01823	0.7
171.02847	16.7
177.01791	0.8
179.03365	1.6
187.05978	13.5
191.03423	1.8
195.02884	7.4
199.07521	2.3
205.07053	0.7
211.16969	0.6
219.02823	2.1
227.07004	1.0
229.17897	0.5
230.30940	0.4
231.06581	0.5
255.06412	1.8
261.03751	2.9
271.06055	0.5
272.06363	0.4
273.07516	78.6
274.08023	0.7
279.04913	0.5
291.71414	0.5
297.07611	0.7
315.08649	1.6
339.08179	0.9
381.09592	1.6
405.44363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1393
Annotation	Naringenin 7-O-beta-D-glucoside 6'-acetate
Peak:m/z	Relative Intensity
53.03893	12.4
55.01811	3.7
55.05441	0.8
57.03368	3.7
61.02848	4.0
61.96484	0.6
67.01785	0.7
67.05424	3.1
68.99709	1.4
69.03348	34.5
69.06994	0.8
70.06503	1.5
70.15329	0.6
71.04897	3.3
72.08072	0.8
73.02841	5.1
74.00605	0.6
79.05406	1.6
81.03338	49.0
83.04903	0.7
84.04433	4.1
84.08078	1.3
85.02348	1.1
85.02831	25.2
86.09624	0.9
87.00758	1.4
90.05479	1.1
91.05386	6.6
93.06958	0.9
95.04919	1.6
95.08540	1.0
97.02821	18.9
97.10117	0.6
99.04393	9.2
105.01804	1.0
105.03344	2.8
105.06998	1.2
107.04921	2.9
107.08540	0.8
109.02827	27.3
109.06436	1.2
109.10123	0.7
115.03883	0.8
116.07081	0.6
119.04889	15.0
119.08535	0.9
120.04398	2.5
121.02831	3.2
123.04380	6.1
125.02361	0.8
127.03888	18.7
133.10086	6.0
134.10461	0.8
145.04935	3.7
147.03214	1.7
147.04385	49.1
151.03856	1.4
153.01804	98.5
158.02713	0.9
162.05515	3.2
171.02826	4.9
172.87964	0.6
177.01833	1.2
177.45273	0.7
179.03276	0.7
183.02834	1.7
186.56587	0.7
187.05969	13.3
191.03320	2.9
191.04936	1.3
193.06258	0.9
195.02864	10.3
205.06985	1.1
215.03304	1.0
219.02908	3.2
243.02838	0.8
247.28467	0.8
255.06290	0.7
261.03891	6.8
263.87408	0.7
273.07510	100.0
274.08038	1.1
297.07556	1.3
315.08575	1.6
339.08380	0.9
363.08328	2.5
381.09561	4.0
415.04807	0.8
476.22470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	1.7
55.01784	3.3
55.05428	0.7
57.03370	5.6
61.02820	0.5
64.32679	0.5
65.03859	0.6
67.05412	0.7
68.99685	2.4
69.03317	3.3
69.06961	0.8
70.06503	3.7
71.04865	1.0
73.02799	0.6
76.02121	0.5
79.05377	3.0
81.03323	4.7
81.06942	0.9
83.04899	0.7
84.04427	3.6
84.08054	1.9
85.02830	7.3
86.09657	0.6
87.00721	2.6
88.03891	0.6
91.03870	0.5
91.05402	23.5
93.06940	1.1
95.04868	3.3
95.08490	0.6
97.02819	3.7
99.04366	1.1
105.01781	0.9
105.03309	0.9
105.06934	0.6
107.04895	61.5
109.02814	4.0
109.06490	0.6
109.10066	0.6
110.07054	0.8
111.04380	4.3
117.01716	0.5
119.04896	23.7
119.08551	0.8
120.05690	7.5
121.02811	4.0
121.10067	0.5
123.04404	3.5
126.05448	0.7
127.03869	5.2
129.10223	0.7
131.04857	1.2
131.08458	0.7
133.10081	0.9
135.04382	45.9
135.07971	0.5
136.05188	4.9
138.05356	0.6
140.09990	0.6
141.06949	2.7
145.04985	0.7
145.06421	2.7
147.04335	2.3
151.03877	0.7
153.01805	0.5
153.06987	2.5
155.08514	3.2
157.06447	0.8
158.02652	1.0
159.02930	0.8
159.08011	1.1
165.06953	10.5
169.06410	0.6
178.05003	0.7
179.87585	0.5
181.04897	3.1
181.06371	1.0
182.07114	0.5
183.07996	8.3
187.07405	0.8
192.63942	0.6
193.06430	3.2
199.07420	0.6
201.09036	0.8
205.01669	0.5
211.07483	6.3
211.09637	2.9
212.10042	0.6
228.07729	2.8
229.08548	100.0
230.08937	0.8
253.08507	0.7
271.05984	2.3
272.06259	3.7
273.06540	2.4
286.24390	0.5
300.06183	0.5
302.46756	0.5
315.08658	0.7
331.17267	2.0
373.98611	0.5
385.15738	0.5
399.58273	0.5
423.95917	0.5
438.17178	0.5
471.97751	0.5
474.70505	0.6
476.21634	0.8
476.32660	4.8
477.22940	23.3
477.33521	0.8
504.01843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	1.0
55.05443	1.6
56.04972	1.2
57.02927	0.6
57.03375	12.5
57.64530	0.6
58.44275	0.7
59.04923	1.1
60.04438	1.0
61.02858	1.4
67.01771	0.8
69.03336	3.7
69.06984	1.7
70.06143	0.7
70.06510	15.6
71.01256	0.8
71.04910	65.7
71.06821	0.6
72.08052	0.8
73.02813	1.5
75.04385	4.0
75.97578	0.6
83.04897	5.4
84.04436	9.3
84.08059	4.1
85.02827	80.0
86.09632	12.8
87.04396	1.2
87.09946	0.7
88.03906	1.6
95.04897	0.9
97.02814	2.6
99.04350	1.1
102.05457	1.0
105.06927	0.9
110.07108	5.4
111.04385	1.3
115.08625	1.1
116.07038	2.9
123.03594	0.6
123.04335	5.9
127.03866	6.6
129.05434	13.9
129.10188	1.0
147.06500	4.9
151.03864	16.5
169.04924	100.0
170.05173	2.4
173.67082	0.7
181.04897	1.2
182.76596	0.7
193.04892	4.3
211.05939	3.2
235.06004	3.2
258.72952	0.8
285.16388	0.8
331.10300	0.9
373.69055	0.8
380.29660	0.7
388.43500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02319	0.4
53.03891	3.6
54.81618	0.2
55.01807	1.3
55.05447	0.2
57.03365	0.4
57.07006	0.8
60.48843	0.2
61.02850	0.8
67.05428	0.8
69.03355	3.6
69.06977	0.7
70.06506	0.4
71.04905	0.4
71.76815	0.2
73.02815	0.5
77.03841	0.5
79.05410	6.2
81.03337	2.9
81.06964	1.6
83.01255	1.0
83.04904	1.3
84.04404	0.4
84.08065	0.3
85.02826	9.8
86.09621	0.3
87.00757	4.1
91.03895	0.2
91.05405	1.1
93.06971	5.3
95.04900	12.0
95.08511	0.4
97.02809	2.9
97.06464	0.5
97.95444	0.2
99.04395	1.2
101.02319	0.3
103.00371	0.2
105.01881	4.6
105.03337	100.0
105.04476	2.9
106.03678	1.8
107.04918	0.2
107.08531	2.0
109.02843	2.8
109.06487	0.5
110.07146	0.3
111.00784	0.4
111.08067	0.2
117.06946	0.3
119.08486	0.3
120.04407	0.3
121.06426	0.8
121.10083	0.3
123.04382	2.0
123.73624	0.2
125.05945	1.6
127.03875	4.7
129.01830	1.0
129.10147	0.2
131.08548	0.3
133.10112	1.3
135.11656	8.8
139.07529	0.9
141.52019	0.2
145.04945	1.0
147.02878	0.3
147.11678	0.4
149.13278	1.0
151.03941	0.9
157.10153	0.2
159.02876	1.2
159.11653	0.2
171.02861	0.3
171.11780	0.2
175.11157	0.2
177.12743	1.0
177.21735	0.2
184.07335	0.2
189.04001	0.3
189.12717	0.4
195.13770	5.2
217.12260	0.8
226.80402	0.2
231.04958	1.2
235.13318	1.1
249.06061	0.3
251.05493	1.2
279.04886	1.3
293.06540	0.3
302.00058	0.2
321.06055	4.2
396.53537	0.2
470.13422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02316	0.1
53.03889	2.8
53.75500	0.2
55.01800	0.3
55.05443	0.4
55.93864	0.2
57.03360	0.2
58.39293	0.2
61.02850	0.3
67.05435	0.2
68.87350	0.2
69.03333	0.6
71.04917	0.2
77.03814	0.3
79.05422	1.5
81.03339	0.7
81.06964	0.4
83.01252	0.8
84.04436	0.2
85.02828	1.6
86.09599	0.3
93.06970	0.9
95.04890	9.8
95.08516	0.4
97.02829	0.3
97.06514	0.2
98.09470	0.2
101.02299	0.3
105.03333	100.0
106.03661	1.0
107.08529	0.4
109.02803	0.3
109.10099	0.3
111.00751	0.9
119.08540	0.3
123.04407	1.9
129.01814	0.3
133.10095	0.3
135.11636	0.4
138.30188	0.2
153.01761	0.2
156.64471	0.2
159.11676	0.2
164.58864	0.2
189.03989	0.3
215.22992	0.2
243.11053	0.2
251.05421	1.4
279.04907	1.0
293.06598	0.2
309.49442	0.2
316.64822	0.2
321.06006	4.0
322.06760	0.2
339.07080	0.9
348.33194	0.2
358.69455	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	5.2
54.81583	0.5
55.01812	7.1
55.65872	0.5
56.48759	0.6
57.03373	4.5
58.18579	0.6
61.02847	3.9
64.07997	0.5
68.99703	1.5
69.03349	21.5
70.06507	4.4
71.04892	2.9
73.02832	4.4
73.03188	0.5
75.33874	0.5
75.72835	0.5
79.05395	3.8
81.02910	1.0
81.03340	18.4
81.06908	0.6
83.01235	0.9
83.23122	0.5
84.04419	1.2
84.08051	1.5
85.02827	45.1
86.09639	0.9
87.00758	20.3
87.04367	0.9
89.05937	2.5
91.05403	2.7
92.10876	2.2
95.04876	3.6
97.02821	16.3
98.97522	1.0
99.04381	5.4
103.05396	4.7
105.01816	7.9
105.06995	4.6
107.04897	53.4
107.08521	0.8
109.02825	14.0
109.06439	0.7
111.04397	1.4
115.05393	2.9
117.01788	3.2
117.06999	0.7
119.04994	0.7
120.05666	0.9
121.06454	1.1
122.01318	0.6
123.04391	2.9
124.05167	1.3
125.05917	1.1
127.03873	17.2
129.01776	1.2
131.04900	1.3
133.06401	2.3
133.08565	0.8
134.06802	0.7
135.07072	0.9
135.08023	15.9
144.05676	0.7
145.04990	5.1
145.06459	1.3
147.04381	0.9
149.05998	0.8
149.09599	0.7
152.04639	0.8
154.06273	1.2
159.02855	6.0
161.05922	1.3
163.07509	34.9
164.07901	1.2
165.09015	0.6
167.07005	100.0
168.07352	1.2
180.07776	1.2
181.08565	7.5
187.22580	0.6
195.10130	26.8
213.11185	76.3
223.09724	1.0
231.04884	1.3
233.08080	0.7
237.11108	2.8
255.12167	1.1
279.12146	3.4
285.11212	1.2
303.12091	4.4
321.13257	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	478.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03669	0.5
53.03885	7.5
55.01811	8.4
57.03373	5.9
60.04455	0.8
61.02847	4.2
65.18870	0.7
66.22839	0.8
68.99701	1.0
69.03011	1.2
69.03350	24.5
70.06505	6.6
71.01303	0.7
71.04900	4.3
71.46764	0.7
72.04409	0.8
73.02834	7.1
79.05387	3.0
81.03339	28.0
83.01277	1.1
84.04420	3.9
84.08055	5.1
85.02834	59.7
85.03355	2.0
85.06426	1.2
87.00249	1.2
87.00754	26.8
87.04398	1.1
90.05476	12.3
91.03870	1.6
91.05411	2.0
91.80310	0.9
95.04890	2.0
97.02827	20.1
98.05975	0.9
99.04375	8.4
103.05394	5.6
105.01812	12.3
105.06955	5.4
107.04901	47.4
108.04416	3.3
109.02836	20.8
110.07092	1.3
111.04369	1.2
115.05364	0.9
117.01816	1.9
117.06958	3.4
120.08077	1.0
121.06466	1.4
123.04401	1.6
124.05141	1.7
125.05874	1.6
126.05469	3.7
127.03886	26.6
129.01811	1.5
129.10207	1.3
131.04871	1.8
135.08032	17.6
145.04955	8.1
145.07561	1.4
149.09680	1.1
152.04694	1.0
154.06232	1.4
158.02626	0.9
159.02873	8.2
159.07942	0.9
159.09152	1.7
163.07515	40.1
167.07008	100.0
168.07280	1.4
180.07777	3.9
181.08572	6.2
195.10124	34.5
202.51570	0.8
205.08492	1.2
209.11760	0.9
213.11189	83.7
214.11531	1.3
214.70169	0.9
223.09662	1.0
227.12791	1.7
231.04930	3.8
248.07581	1.4
266.08783	1.0
296.15710	1.2
303.12186	4.5
314.04126	0.9
321.13199	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	478.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	5.8
55.05442	4.0
57.03363	1.1
58.99517	2.0
60.47934	0.7
61.50070	0.8
67.05417	3.6
69.06986	1.5
70.06500	1.9
71.04922	0.9
71.08560	1.2
72.04430	1.1
74.00568	1.4
76.02142	16.1
79.05405	5.1
80.04924	0.9
81.06963	2.1
83.04897	12.9
84.04434	12.1
84.08080	1.5
86.09634	0.9
90.05470	12.4
91.05400	1.8
93.06963	9.6
95.04885	0.9
95.08533	1.8
96.04597	0.7
97.06429	1.7
99.08019	1.0
100.02136	1.2
103.05389	0.9
104.01595	1.6
105.06982	4.7
107.04891	1.6
107.08518	1.5
108.15620	0.9
109.06492	1.9
110.45914	0.9
116.01635	9.3
121.06466	4.6
126.05483	4.2
127.04993	8.7
130.04968	6.2
133.02776	1.1
133.06458	1.7
135.04385	1.6
135.08026	2.1
137.05968	1.5
139.11139	14.7
142.03195	3.6
144.06499	1.1
145.06055	1.9
147.04327	1.4
147.11650	0.9
148.05133	2.0
149.05952	5.2
150.06712	3.4
151.07492	1.0
158.02666	21.5
164.08275	10.3
165.05449	11.7
176.03738	5.7
180.07780	19.5
185.03816	1.8
187.05258	1.3
189.12712	1.1
191.04799	7.2
193.06407	17.4
195.10126	100.0
196.10210	1.6
196.11729	1.6
215.04819	1.5
217.12199	1.3
233.05858	4.0
235.13222	2.0
253.13982	1.0
255.06613	1.0
313.15714	5.9
322.10568	8.0
477.32816	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19177	0.9
53.03899	1.3
54.70248	0.9
55.01812	13.2
55.05456	17.0
56.04977	1.7
57.03367	4.6
58.99519	19.1
67.05423	9.7
69.03348	6.4
69.06996	7.4
70.06512	4.7
71.04911	4.6
71.08549	5.0
72.04438	7.6
74.00557	1.5
75.12150	1.2
76.02143	100.0
79.05406	21.8
81.03356	1.4
81.06988	6.6
83.04900	57.5
83.06032	1.2
83.08543	1.2
84.04428	43.1
84.53077	1.1
86.98985	1.9
88.02147	5.8
90.05483	63.5
91.05412	4.3
92.64588	1.1
93.06977	19.5
95.04906	2.4
95.08548	7.7
97.06474	6.2
100.02130	1.9
104.01640	18.6
105.06998	2.6
105.07690	1.4
105.77190	1.1
109.06487	1.7
110.07122	1.2
114.03684	1.6
116.01633	40.3
121.06506	1.5
121.10122	2.7
121.88656	1.2
126.05496	1.5
127.05031	5.6
129.06679	1.1
129.10236	1.4
130.03230	5.5
130.04979	21.5
137.05949	2.6
139.11159	85.8
142.03191	14.5
147.11702	1.6
147.77385	1.3
158.02690	99.0
170.02710	6.3
171.11588	1.3
175.05319	15.6
176.03746	35.7
176.05228	1.6
186.28931	1.3
187.05334	6.3
191.04805	4.3
193.06393	94.5
196.11545	4.2
200.12711	1.7
215.04843	6.3
233.05894	16.8
235.13300	2.7
241.06412	1.6
259.07422	2.0
304.09546	4.5
305.08026	1.3
313.15637	2.4
322.10638	54.9
323.02991	1.4
435.17554	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	0.7
54.81861	0.6
55.01810	12.4
55.05454	12.7
56.04970	1.7
56.96476	0.9
57.03379	4.9
57.79222	0.6
57.98742	0.6
58.99519	13.7
59.04924	0.7
61.02835	0.9
67.05424	8.9
69.03352	7.2
69.06989	7.0
70.06513	10.9
71.04901	3.1
71.08552	5.1
72.04434	8.6
73.02850	0.8
74.00586	1.4
75.88098	0.8
76.02143	87.1
77.45214	0.7
78.91563	0.6
79.05412	16.9
81.03327	0.9
81.06983	5.4
83.04902	45.5
83.05990	1.4
83.08537	1.2
84.04428	46.5
84.08063	3.2
85.02827	5.2
86.09612	3.5
86.98980	3.5
88.02116	5.1
90.05482	61.7
91.05396	3.6
93.06969	17.9
95.04888	1.5
95.08521	7.3
97.02800	1.0
97.06458	7.1
98.97511	4.3
99.04361	1.0
100.02110	1.5
100.03874	1.1
102.05477	1.1
104.01628	14.9
105.06956	3.7
107.04901	3.2
107.08572	2.4
109.02801	0.9
109.06447	1.2
110.07104	3.4
111.08086	0.6
113.00623	0.7
116.01633	31.0
116.07038	3.1
116.98545	3.2
119.04926	0.7
119.08516	1.3
120.08035	1.3
121.06429	0.9
121.10078	4.5
126.05445	0.9
127.04939	3.2
129.04730	1.2
129.06543	1.1
130.03189	4.2
130.04965	15.3
130.31293	0.7
131.00171	1.1
131.04874	0.9
133.10077	0.8
134.99606	1.7
135.04381	1.0
135.07983	0.9
137.05894	1.7
137.09644	0.9
139.11157	75.2
140.11459	1.0
141.04778	2.7
142.03197	15.6
143.08542	1.0
144.06512	1.1
145.10161	0.7
146.02692	1.0
147.05893	1.2
147.08008	0.8
157.10042	1.1
158.02686	100.0
161.01257	2.5
170.02676	3.3
175.05316	14.2
176.03734	32.6
187.05324	3.6
189.00635	1.0
189.12708	1.3
191.04887	1.7
193.06389	94.3
194.06667	0.9
207.32976	0.8
214.12599	0.9
215.04802	6.0
217.12271	1.0
219.01799	1.0
233.05872	18.0
233.52086	0.7
235.13266	3.0
241.06335	3.1
247.55946	0.7
249.02696	0.9
253.14330	1.0
255.06554	1.0
302.04230	10.6
305.07806	1.2
317.06464	12.6
322.06769	1.7
322.10614	44.8
455.05301	0.8
477.22876	1.5
478.22906	1.6
496.70563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74902	1.2
55.05455	21.8
57.03371	14.2
57.07015	1.9
65.01522	1.1
67.05434	49.5
69.06989	25.0
79.05419	13.0
79.23924	1.4
81.06976	46.6
83.04897	1.4
83.08544	13.6
89.55699	1.2
91.05403	6.7
92.00928	1.6
92.10938	1.4
93.06974	11.7
93.69839	1.5
95.08535	32.8
95.10658	1.4
97.06492	1.3
97.10119	2.2
105.06977	6.3
107.08556	5.9
109.10097	9.1
119.08532	3.3
121.10126	2.4
123.11676	2.5
133.10100	3.1
147.11624	1.7
161.13168	1.9
195.54987	1.5
279.78262	1.4
337.27310	100.0
338.27637	2.8
361.61697	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95073	5.1
55.05455	9.5
62.06019	43.8
64.00787	5.6
67.05428	69.1
69.06983	33.2
81.06953	42.5
83.08556	6.9
95.08527	30.8
98.98399	24.7
102.61620	6.1
183.16962	6.2
187.99359	8.2
221.05386	6.3
306.27829	9.5
337.27301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00224	0.2
53.46792	0.2
55.01803	0.7
55.05193	0.3
55.05454	8.4
57.06998	1.7
62.06006	0.7
67.05432	9.3
69.06990	7.8
79.05418	2.2
81.06976	8.1
83.08557	3.0
85.05208	2.9
86.05984	0.5
91.05402	1.2
93.06961	2.0
95.08532	6.2
96.08051	0.3
97.06500	0.4
97.10083	0.4
98.05986	16.4
98.06625	0.6
105.06973	1.2
107.08506	0.5
109.10076	1.5
110.09625	0.5
111.97542	0.3
112.07548	1.7
121.10106	0.6
123.11678	0.5
126.09093	0.5
135.11682	0.3
138.09151	0.4
140.10637	0.5
140.70621	0.3
143.57227	0.3
148.04800	0.3
154.12206	0.4
168.13820	0.4
180.13765	0.4
182.15443	0.5
196.16933	0.6
208.16931	0.6
222.18468	0.7
273.77078	0.3
306.27863	100.0
307.28159	3.1
336.26147	0.3
337.26288	0.4
340.80762	0.3
362.98444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	4.2
55.05448	21.0
57.07004	4.8
63.96759	3.1
67.05425	30.6
69.06982	21.1
74.01895	3.1
75.59738	3.2
76.69678	3.6
79.05409	24.6
79.23195	3.5
81.06973	100.0
82.58229	3.9
83.08546	5.6
83.80173	3.1
85.10078	4.0
91.05419	8.3
93.06969	47.8
95.08543	71.2
105.06976	25.5
107.08526	43.7
109.10118	29.4
119.08525	30.5
121.10100	30.7
123.11665	9.2
124.47108	3.5
131.08519	5.5
133.10112	15.8
135.11681	19.7
141.00060	4.0
147.11737	8.6
149.13240	20.8
159.11629	14.8
161.13229	16.1
163.14796	6.5
175.14799	4.8
187.36002	4.0
203.17960	4.8
215.17949	4.8
217.19510	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	479.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80839	0.4
57.68765	0.6
61.78399	0.5
62.44874	0.5
65.23204	0.5
70.06480	0.8
76.28157	0.5
84.04413	0.7
84.08057	0.8
86.09647	0.7
90.05439	0.5
91.05393	0.8
105.06994	0.6
127.00150	0.6
132.39844	0.7
133.10043	0.9
147.04401	2.9
148.04726	0.9
153.01828	1.0
161.88695	0.6
171.02917	0.6
184.65065	0.5
190.14304	0.6
190.90810	0.6
213.12564	0.6
224.07420	0.6
227.05211	0.8
231.13516	2.4
233.06285	0.6
245.06239	1.2
257.92752	0.6
265.15155	0.6
271.04120	0.8
289.05252	2.5
375.17276	0.7
393.18640	12.8
417.18845	0.8
435.19781	20.5
436.20450	0.7
479.18787	100.0
480.19028	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	480.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62008	0.6
53.03887	1.0
55.01814	6.9
55.05434	1.3
57.03381	0.8
58.85297	0.6
62.63679	0.6
65.03868	2.7
65.12331	0.6
67.05427	2.8
69.03358	7.6
69.06987	1.2
70.02898	0.6
70.06516	5.1
70.92174	0.6
71.04911	1.7
71.06817	0.5
76.55463	0.7
77.03843	0.7
79.05408	11.3
80.04922	0.8
81.03321	1.3
81.06992	6.6
83.04897	1.3
83.06033	1.0
84.04438	1.6
84.08061	3.3
85.02826	1.3
86.09651	4.6
88.02137	1.2
91.05408	74.1
93.04480	0.7
93.06976	6.1
94.04100	1.1
95.03897	0.7
95.04890	8.7
95.08519	2.9
96.04386	0.9
97.02821	3.3
97.06452	1.4
99.04377	2.7
100.40236	0.6
102.04630	0.9
103.05415	11.0
105.03345	13.8
105.06974	17.8
107.04910	12.6
108.05683	1.2
109.06465	17.7
109.09486	0.6
109.10090	5.5
110.07124	17.6
111.04485	1.0
115.03942	1.1
115.05413	4.1
117.06968	3.0
118.04107	0.9
119.04897	100.0
119.08524	4.2
120.08049	1.3
121.06442	7.0
122.03609	6.3
122.07236	0.7
123.04397	0.8
123.08021	7.6
124.03912	58.8
125.05965	1.3
128.06165	1.5
129.06967	2.9
129.10193	0.9
130.04115	3.0
131.04918	9.4
132.05595	0.8
133.02814	2.8
133.06464	12.7
133.10081	3.5
135.04366	0.8
135.08031	2.7
136.05151	1.3
137.05959	80.7
137.09576	5.3
138.06352	1.0
143.08536	3.3
143.43985	0.7
144.05617	0.8
145.06465	2.8
146.07240	1.3
147.04401	35.3
147.08038	8.2
149.05969	5.7
150.06709	3.8
151.03963	1.0
151.07526	38.8
156.05716	0.7
157.06435	0.9
159.07976	5.8
160.05214	1.3
161.05954	22.1
161.09590	13.8
162.06731	11.0
163.07494	1.1
165.05455	1.3
165.09062	4.5
167.07005	1.2
175.07527	17.0
178.00848	0.9
179.06998	23.5
179.08556	0.9
179.10544	0.7
187.07495	10.4
189.09073	2.7
190.06168	1.4
191.08559	1.5
193.03133	7.7
193.08566	5.8
202.07742	0.8
203.08531	1.5
205.06714	1.3
205.08505	9.7
207.07977	1.2
207.09868	0.7
208.08803	0.7
217.08589	1.6
219.07979	5.4
221.05945	1.0
225.11136	0.8
225.27388	0.7
231.08038	1.6
235.09555	1.6
247.07509	2.7
251.10741	2.4
265.08539	0.8
277.04626	3.5
279.10092	3.6
291.10110	1.6
296.10339	1.3
309.11157	12.3
311.12726	3.8
323.12885	1.0
329.13837	2.7
341.13785	5.9
357.15393	18.0
359.14917	1.0
366.16019	0.8
375.09976	0.7
390.72104	0.7
439.10065	8.6
481.22354	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	480.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60048	0.7
53.03879	1.0
53.75979	0.6
55.01818	8.6
55.05436	1.9
56.04980	0.8
57.03359	1.2
58.89983	0.6
60.58498	0.8
65.03853	3.7
67.05419	5.0
69.03351	11.4
69.07001	0.9
70.06500	5.5
71.04901	1.8
72.08046	0.8
72.97569	0.7
73.02853	0.8
79.05403	14.4
80.04930	0.9
81.03326	1.2
81.06979	8.7
83.04905	1.3
83.06022	1.2
84.04414	4.2
84.08057	1.5
85.02821	4.9
86.09640	7.0
91.05406	76.0
93.06957	4.5
95.04903	8.7
95.08521	1.7
97.02803	3.9
97.06448	3.4
99.04372	2.0
103.05408	12.5
104.74023	0.8
105.03335	13.4
105.06965	17.4
107.04913	10.6
107.08569	1.1
108.05696	1.8
109.06464	19.1
109.10113	10.3
110.07121	27.2
111.04393	1.0
115.03854	1.3
115.05402	3.2
116.07066	1.1
117.06957	3.9
118.04115	1.7
118.22474	0.9
119.04894	100.0
119.08543	8.1
120.05140	1.2
121.06462	7.4
122.03622	6.4
123.08028	8.7
124.03912	86.4
125.05931	1.9
128.06143	1.6
129.06891	3.7
130.04112	3.4
131.04907	7.9
131.08487	0.9
133.02771	1.1
133.06448	13.3
133.10089	7.6
135.04384	1.5
135.08058	2.7
137.05952	90.6
137.09566	10.5
143.08536	3.2
144.05688	1.2
145.06448	4.8
146.07228	1.6
147.04395	33.5
147.08025	10.0
149.05991	6.0
150.06696	2.0
151.03970	1.0
151.07523	37.0
159.08020	3.7
160.04970	1.0
161.04596	1.9
161.05931	24.7
161.09579	20.5
162.06728	10.6
163.07494	1.3
165.05449	1.8
165.09027	4.4
167.07103	0.8
172.05038	0.9
175.07516	13.5
179.05515	1.5
179.07011	27.3
179.08553	1.2
179.10614	3.1
187.07512	8.8
189.09077	3.3
190.07817	1.0
191.08575	3.7
193.03140	7.3
193.08556	5.6
201.10559	1.0
205.08539	10.2
207.10155	1.2
217.08598	1.4
219.07961	5.1
222.72229	0.8
225.11053	0.9
231.07909	3.4
235.09613	1.7
235.11765	1.1
247.07506	3.5
251.10536	3.2
265.08505	0.8
277.04663	6.5
279.10037	4.2
291.10120	3.6
309.11197	11.3
311.12726	3.9
329.13763	1.4
341.13742	3.8
348.73730	1.0
357.10986	1.1
357.15359	28.1
366.16013	1.5
439.09912	15.1
479.31335	1.1
480.32089	1.5
481.22137	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	1.2
55.05192	1.2
55.05452	30.2
55.16396	1.0
56.62183	1.2
57.03378	17.5
57.06779	1.0
57.07015	13.7
63.28948	1.0
67.05431	23.5
69.06989	38.5
71.04871	1.2
71.08543	6.1
74.91081	1.2
78.52636	1.3
79.05415	8.8
81.06971	25.1
82.68297	1.0
83.08543	27.9
85.10097	3.1
85.11326	1.0
86.09626	2.2
93.06976	15.1
95.08542	21.7
97.06448	2.3
97.10104	15.0
98.05975	1.3
98.98386	3.0
105.06969	1.2
107.08517	6.2
109.10101	9.9
111.11658	2.0
121.10091	10.6
124.99976	1.5
130.82831	1.3
135.11644	6.7
149.13242	2.3
171.35884	1.3
172.36325	1.2
183.04135	1.8
184.07364	1.6
308.29330	5.5
339.28876	100.0
366.78470	1.3
375.82928	1.3
415.87839	1.5
458.68695	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35734	3.0
55.05445	30.6
55.97515	2.7
57.03380	5.7
57.07002	13.5
58.32075	2.5
60.80426	3.0
62.06010	18.4
62.89304	2.5
63.84271	2.6
67.05424	15.0
69.06996	38.8
79.05399	5.3
81.06969	15.2
83.08530	18.6
86.09620	4.3
93.06982	6.3
95.08530	20.1
97.10087	6.0
98.98382	13.5
107.08530	4.1
109.10111	7.4
155.00993	7.4
184.07292	6.4
223.06802	3.5
232.56351	3.5
253.02034	3.1
265.25204	5.7
308.29480	12.0
320.72824	3.3
339.28906	100.0
462.29422	4.2
481.69482	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3083
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
52.26838	0.2
55.01806	0.4
55.05191	0.3
55.05454	7.2
57.07014	2.1
62.06010	0.4
67.05431	1.4
69.03333	0.2
69.06992	6.4
69.18524	0.2
71.08537	0.7
74.15938	0.2
74.16442	0.2
74.36393	0.2
79.05400	1.0
79.22823	0.2
80.47825	0.2
81.06981	1.3
82.06525	0.2
83.08533	3.1
85.05215	1.5
85.10097	0.2
86.05995	0.8
93.06966	0.8
95.08534	1.3
96.08061	0.4
97.10090	1.3
98.05985	11.9
109.10105	0.4
110.09605	0.3
112.07555	1.7
121.10075	0.4
126.09084	0.3
140.10632	0.2
142.56432	0.2
154.12277	0.8
182.15388	0.2
184.07291	0.3
190.61871	0.2
193.01530	0.2
196.16986	0.3
210.18509	0.2
308.29428	100.0
309.29715	2.8
326.30386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77066	0.3
54.81527	0.4
55.05445	3.1
56.04968	0.8
57.03360	1.5
57.07005	1.5
58.06522	0.9
59.07290	0.4
60.08092	23.4
67.05421	2.5
69.06973	2.3
71.07292	9.5
79.05401	1.8
80.37650	0.3
81.06968	1.8
83.04935	0.4
83.08540	0.9
83.90344	0.3
84.91133	0.4
86.09624	77.8
87.09954	0.5
93.06959	1.9
95.08516	1.8
97.06468	1.8
97.10094	0.5
98.98382	5.8
104.10677	100.0
107.08537	0.8
109.10094	0.4
121.10098	2.3
124.99958	44.2
129.05420	0.6
135.11629	0.6
143.01077	0.6
161.67609	0.4
163.01514	0.4
181.02594	0.4
184.07298	94.4
190.96257	0.4
257.30161	0.4
258.11060	0.4
297.24216	0.5
352.81494	0.3
429.71979	0.4
458.55850	0.4
462.29648	6.1
480.30780	25.3
481.31091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77066	0.3
54.81527	0.4
55.05445	3.1
56.04968	0.8
57.03360	1.5
57.07005	1.5
58.06522	0.9
59.07290	0.4
60.08092	23.4
67.05421	2.5
69.06973	2.3
71.07292	9.5
79.05401	1.8
80.37650	0.3
81.06968	1.8
83.04935	0.4
83.08540	0.9
83.90344	0.3
84.91133	0.4
86.09624	77.8
87.09954	0.5
93.06959	1.9
95.08516	1.8
97.06468	1.8
97.10094	0.5
98.98382	5.8
104.10677	100.0
107.08537	0.8
109.10094	0.4
121.10098	2.3
124.99958	44.2
129.05420	0.6
135.11629	0.6
143.01077	0.6
161.67609	0.4
163.01514	0.4
181.02594	0.4
184.07298	94.4
190.96257	0.4
257.30161	0.4
258.11060	0.4
297.24216	0.5
352.81494	0.3
429.71979	0.4
458.55850	0.4
462.29648	6.1
480.30780	25.3
481.31091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	0.7
56.04966	1.9
57.03368	0.3
67.05429	0.7
67.11210	0.3
69.03333	0.4
70.06498	0.6
76.55669	0.4
79.05379	0.9
81.03339	0.4
81.04460	0.8
81.06956	2.1
83.06030	0.5
84.04432	15.3
84.08073	0.5
85.02838	2.1
86.09627	0.9
91.05396	4.0
93.06960	1.9
95.04876	0.6
95.08526	2.0
97.02820	0.5
103.05407	10.1
105.06934	0.5
107.04886	3.8
107.08518	0.6
109.10076	0.5
111.05529	0.8
115.05376	0.5
117.05705	0.4
118.06487	5.6
120.08055	100.0
121.06454	0.5
121.08425	0.5
121.10041	0.4
125.07066	2.4
130.06490	22.0
131.04860	3.8
132.08047	12.9
136.07553	0.6
139.05014	1.6
142.06473	2.0
143.07278	1.5
144.08073	5.8
146.05988	23.8
149.05972	1.9
151.03822	0.5
153.06555	1.7
158.06032	0.5
158.08472	1.2
158.09648	0.8
158.10999	0.4
159.09134	11.9
160.07474	0.5
166.08598	20.2
166.10016	0.7
167.07068	0.5
168.08055	7.0
169.07600	2.2
170.05991	7.5
170.09634	0.6
180.07982	2.8
184.07474	3.6
185.10698	11.6
186.09106	50.9
187.08752	2.0
188.07027	38.5
197.10666	0.6
198.09195	2.1
199.08830	0.4
204.10176	0.7
205.09669	6.4
225.10172	7.3
231.11240	6.8
232.09569	5.8
249.12183	1.5
252.11342	1.6
253.09634	2.1
270.12335	8.9
271.10608	2.8
277.11789	2.5
298.11804	3.0
299.10165	0.7
316.12857	13.1
352.16660	1.3
392.44867	0.4
417.19244	1.4
435.20056	0.6
445.19247	0.6
463.19684	19.8
464.18716	2.4
480.18701	0.4
481.20703	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	481.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49044	0.2
55.01800	1.2
56.04974	0.4
59.18005	0.3
65.03848	0.3
67.05408	0.4
69.03345	1.9
69.06978	1.4
70.06504	4.9
79.05401	1.3
79.18760	0.2
81.04465	0.5
81.06971	1.1
81.67238	0.3
82.05277	0.3
83.06021	4.9
84.04418	0.4
84.08061	0.6
85.02831	1.4
86.09628	13.2
88.01637	0.5
88.02137	8.7
91.05402	5.9
92.05729	1.8
93.04468	4.2
93.06979	0.5
95.04907	0.4
95.06022	1.3
95.85616	0.3
98.09612	0.4
99.04418	0.5
103.03880	0.4
103.05405	0.5
103.87283	0.3
105.03349	0.7
105.06958	2.1
106.03661	0.3
106.07342	0.4
107.04919	1.1
109.06493	2.0
109.10093	1.1
110.07112	100.0
111.07441	0.4
116.07061	2.7
119.04894	8.1
119.08542	0.5
120.05222	2.8
120.08114	0.4
121.06464	1.1
122.03591	0.5
122.07066	0.5
123.08029	0.6
124.03909	9.5
125.04255	2.3
125.21009	0.2
131.04904	0.5
133.04291	0.4
133.06453	1.2
133.10062	0.6
134.06879	0.3
136.07530	0.4
137.05962	6.2
137.09622	1.2
138.06317	2.4
138.09932	0.3
139.12296	0.5
147.04433	2.7
147.08087	0.4
148.04768	1.2
149.05962	0.4
151.03911	1.4
151.07541	1.9
152.07881	1.3
156.07654	2.5
156.08658	0.9
159.66481	0.3
161.05949	1.9
161.09641	1.7
162.06577	0.7
162.09975	0.5
165.09106	0.5
166.06079	1.0
175.07474	0.6
179.07025	1.4
180.07286	0.4
187.07509	0.5
193.03253	0.5
201.10538	8.1
205.08556	0.4
206.08763	0.3
229.09882	0.4
235.11829	5.5
253.12930	2.7
261.02826	0.4
262.90079	0.3
274.77344	0.3
277.04520	0.5
278.04987	0.5
297.98886	0.3
308.81216	0.3
310.11520	0.6
312.12921	0.3
357.15497	2.2
358.15802	2.6
366.15845	9.2
384.16934	0.4
397.58472	0.3
440.10117	1.8
481.22192	11.2
482.22647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03107	0.2
52.74906	0.1
53.03877	0.7
54.81362	0.1
55.01799	0.7
55.05445	0.2
56.04960	0.2
56.96503	0.2
57.03368	0.1
65.03860	1.8
67.05431	2.6
68.99701	0.1
69.03358	0.2
69.06979	0.6
70.06506	0.6
71.01270	0.2
71.04894	0.2
77.03851	0.2
79.05408	0.5
80.02538	0.1
81.03345	0.3
81.06966	0.7
83.04877	0.2
84.04421	0.5
84.08062	0.2
85.02824	1.0
85.06458	0.3
86.09605	0.6
88.74059	0.1
91.05380	0.3
91.62713	0.1
93.06947	0.6
95.04887	3.0
95.08527	0.6
97.02785	0.2
97.06459	0.2
99.04378	0.3
103.03880	0.6
104.05246	0.1
105.03329	9.8
105.04431	0.3
105.06976	0.1
107.08522	0.3
108.02033	3.0
109.02802	1.2
109.10091	0.2
111.04389	1.1
112.01524	0.2
119.04900	0.1
121.10086	0.2
123.04328	0.3
124.99933	0.2
125.05949	0.5
127.03881	0.3
129.01807	0.2
130.06467	0.2
135.08047	0.2
136.01506	0.5
139.11134	0.8
141.05438	6.6
143.07007	0.2
146.99657	0.2
147.04373	0.2
151.03882	100.0
151.04982	9.9
152.04219	1.5
169.04967	0.2
181.12254	0.2
199.13245	0.6
217.14330	0.2
243.01689	0.3
248.79832	0.1
251.05446	0.2
261.02753	1.1
263.14728	0.1
277.43735	0.1
297.06116	0.5
343.06406	0.2
390.27753	0.2
399.46027	0.2
402.79318	0.1
447.09052	0.2
449.46640	0.1
480.38217	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	482.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07841	1.1
55.05449	4.7
57.03371	5.8
57.07011	65.8
62.06020	20.4
67.05422	8.6
69.06979	6.9
71.08546	37.5
81.06972	9.6
83.08543	5.2
85.10103	25.7
89.05948	22.1
95.08545	9.2
97.10114	5.4
98.98392	14.8
109.10085	5.7
111.11681	1.3
133.08575	7.9
155.01070	4.4
165.29199	1.2
176.53220	1.2
177.11220	1.8
216.06293	1.1
283.17487	5.6
310.30966	18.3
341.30438	100.0
342.30762	1.9
383.01346	1.2
421.27057	8.3
464.31192	6.4
465.37640	6.8
482.32397	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	1.2
55.05458	8.1
57.03373	17.2
57.07011	60.4
64.74211	0.6
67.05428	9.5
67.20995	0.6
69.06989	9.4
71.08545	37.7
80.97105	0.6
81.06981	10.7
83.08535	8.5
85.09635	1.1
85.10107	18.4
86.09574	0.7
87.04361	0.7
89.05952	10.3
92.10945	1.7
92.64095	0.6
93.06963	1.3
95.08530	18.1
97.10100	6.4
98.98383	1.2
99.11676	0.8
103.07519	0.9
109.10097	7.8
111.11665	2.2
121.10093	1.0
123.11620	2.2
133.08562	3.6
137.13191	1.0
177.38934	0.6
184.07350	1.5
283.17471	2.5
285.27625	1.1
310.31058	5.1
341.30426	100.0
342.30630	2.9
465.37503	2.4
482.26291	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	0.7
56.04969	0.8
57.03370	0.5
57.07017	5.9
58.06528	1.1
60.08095	22.9
67.05440	0.8
69.06974	1.1
71.07282	10.2
71.08554	3.5
78.13969	0.4
81.06981	0.9
81.17372	0.5
83.08501	0.6
85.10094	2.0
86.09627	71.5
87.09972	0.8
95.08529	2.5
98.98381	5.4
103.20541	0.5
104.10678	100.0
105.11001	0.9
106.87201	0.5
124.99959	41.2
125.82269	0.5
127.83911	0.4
143.00989	0.9
159.17244	0.5
163.01604	0.6
181.02478	0.5
184.07304	95.4
185.07639	0.6
262.61191	0.5
296.82489	0.5
299.25693	2.0
308.29459	1.9
309.29892	4.1
310.30286	1.1
452.33630	0.5
464.31332	6.4
482.32269	32.3
483.32462	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44681	0.4
51.44927	0.4
54.81925	0.4
55.05439	1.0
56.05814	0.5
57.07007	7.4
62.06007	1.0
64.33904	0.5
67.05420	2.2
69.06981	1.8
71.08554	4.2
72.08068	16.6
81.06959	2.0
84.08050	1.1
84.22964	0.4
85.10106	1.0
86.09602	0.5
89.05933	1.0
95.08517	1.1
97.10072	0.6
98.06010	0.6
101.59233	0.4
107.08530	0.7
115.07495	0.5
133.08562	0.7
137.33002	0.5
152.60257	0.5
184.07248	0.9
194.14922	0.4
310.30978	100.0
311.31335	2.4
313.27274	2.1
340.29227	0.6
464.31049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44681	0.4
51.44927	0.4
54.81925	0.4
55.05439	1.0
56.05814	0.5
57.07007	7.4
62.06007	1.0
64.33904	0.5
67.05420	2.2
69.06981	1.8
71.08554	4.2
72.08068	16.6
81.06959	2.0
84.08050	1.1
84.22964	0.4
85.10106	1.0
86.09602	0.5
89.05933	1.0
95.08517	1.1
97.10072	0.6
98.06010	0.6
101.59233	0.4
107.08530	0.7
115.07495	0.5
133.08562	0.7
137.33002	0.5
152.60257	0.5
184.07248	0.9
194.14922	0.4
310.30978	100.0
311.31335	2.4
313.27274	2.1
340.29227	0.6
464.31049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	1.2
55.05437	1.5
57.06735	2.3
57.07011	60.5
69.06982	6.7
71.08547	45.0
71.18116	1.1
73.06473	1.6
83.08544	1.4
85.10102	22.1
87.04418	1.9
89.05952	100.0
92.10867	1.6
99.11687	1.8
103.89172	1.1
107.07021	2.4
108.33202	1.3
112.77942	1.1
113.13206	1.8
127.14874	1.1
133.08574	33.0
139.09637	1.4
151.40675	1.1
161.76868	1.4
177.11232	9.9
183.21065	1.6
207.06758	1.2
239.14917	1.8
283.17465	30.5
315.28998	2.6
465.37814	25.9
503.72971	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72126	0.8
54.23320	0.6
55.05445	0.7
56.04978	1.0
56.96504	0.8
67.05424	1.2
68.85129	0.7
70.06512	14.3
71.04913	1.3
72.08073	1.1
76.02159	0.8
79.05370	0.9
81.06977	1.6
84.04432	4.8
84.08076	5.7
85.02824	3.7
86.09646	3.2
90.37637	0.9
91.05389	1.4
95.08535	1.2
97.02830	0.9
99.04388	0.9
101.07124	0.8
102.05497	1.6
109.06428	1.0
110.07108	4.9
113.03416	3.3
117.03353	4.3
120.08044	1.3
127.03913	1.2
129.10184	0.8
137.05988	1.5
145.02853	4.0
147.04417	1.8
151.03935	1.5
177.05432	4.0
219.06297	3.5
223.06393	1.1
227.05179	0.8
234.08597	20.6
235.09340	11.5
237.02869	0.9
241.07481	1.6
267.15924	0.9
271.04233	1.7
274.09668	0.8
283.08597	1.4
286.92044	0.8
368.10703	0.9
397.14655	5.9
427.12787	1.3
439.15607	18.7
483.14658	100.0
484.14993	3.5
500.95596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1628
Annotation	Antibiotic 1072A
Peak:m/z	Relative Intensity
50.83987	2.0
52.00258	2.3
54.67301	2.2
55.44784	2.2
70.46960	2.3
92.10950	3.0
104.10643	4.6
132.06360	2.7
173.02917	4.4
175.40926	2.8
183.12469	2.5
185.02917	3.0
188.15196	2.8
245.05144	3.0
256.19730	3.8
483.16153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37366	0.1
57.05510	0.1
60.05568	0.8
60.56973	0.1
69.03343	0.1
70.02858	0.2
70.06510	2.3
71.01296	0.1
84.04440	0.7
84.08062	1.2
85.02831	0.7
86.09610	0.7
88.03928	1.0
91.05373	0.3
93.59037	0.1
96.10445	0.1
97.02790	0.2
110.07117	0.2
116.04942	0.3
116.07038	0.6
118.06495	1.7
128.04913	4.7
130.06535	0.3
130.09756	0.3
136.06189	0.8
136.07520	0.5
146.05989	100.0
147.06354	2.5
148.03926	1.1
153.04053	0.1
162.05510	0.2
165.05576	0.1
165.80049	0.1
172.03894	1.1
175.08649	0.2
175.11873	2.3
191.36189	0.1
199.04965	0.2
263.06586	0.2
291.91614	0.1
305.07709	0.6
323.08618	1.6
354.99130	0.1
403.33014	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	485.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63471	0.2
58.26709	0.2
60.04448	0.3
67.66760	0.2
70.02867	0.3
70.06500	1.2
72.68504	0.2
81.25022	0.2
84.04432	0.4
84.08045	0.3
85.02810	1.2
86.09630	1.1
88.03906	1.1
89.63195	0.2
91.05415	0.3
92.61982	0.3
94.32507	0.2
97.02829	0.3
98.97528	0.3
103.05428	0.4
107.04881	0.3
116.04942	0.2
118.06489	1.5
120.04330	0.3
120.08059	7.3
121.08382	0.3
125.17576	0.2
128.04948	3.2
132.10185	0.4
134.99599	0.4
136.06163	2.7
146.05989	100.0
146.99669	0.3
147.06326	2.2
148.03899	1.2
166.08609	1.6
172.03885	1.3
219.13225	0.4
237.02971	0.3
268.10312	0.4
279.07507	0.3
305.07587	0.9
323.08832	1.2
387.63831	0.3
412.73688	0.4
485.12473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01793	0.3
57.03385	0.1
62.72495	0.1
65.03858	0.3
67.05414	0.6
67.73339	0.1
68.99691	0.1
69.03345	0.4
69.06968	0.2
70.06502	0.7
70.34365	0.1
72.08069	0.1
77.39157	0.1
81.03333	0.4
81.06963	0.3
84.04415	0.6
84.08060	0.8
85.02823	0.3
86.09630	0.3
88.82599	0.1
91.05402	1.5
93.06959	0.2
95.08521	0.8
97.02799	0.4
98.09617	0.1
98.97543	0.1
109.02809	0.2
109.10126	0.3
110.07099	0.2
119.04890	1.0
121.02834	0.3
121.10112	0.2
127.03875	0.2
128.06166	0.3
129.06950	0.8
131.04947	0.2
131.08514	0.2
133.02812	0.9
137.02313	7.1
137.09517	0.2
143.08530	0.6
145.02809	1.0
149.02330	0.6
153.06932	1.5
157.06465	1.3
165.07022	0.2
169.06491	0.2
171.08002	1.3
181.06384	2.6
184.05130	0.2
185.05986	0.2
198.06729	0.2
199.07506	11.9
200.07802	0.6
209.03983	0.1
209.05902	0.6
226.06166	0.2
227.06979	5.5
237.05379	2.4
255.06454	100.0
256.06793	3.6
485.23148	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	485.2871
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
53.00243	2.2
54.81454	1.4
55.05448	8.6
57.03373	24.1
57.06736	2.3
57.07012	59.5
58.54900	1.1
65.12527	1.2
67.05438	11.1
69.07000	10.6
71.08187	2.2
71.08548	34.7
73.66998	1.1
76.18936	1.6
81.06966	15.4
83.08543	10.0
84.04436	1.5
85.10106	18.9
86.09634	5.3
89.05943	3.4
89.95962	1.3
95.08537	19.1
97.10073	2.3
98.98383	10.6
109.10095	7.2
121.10086	1.5
123.08049	2.0
123.11740	1.6
143.66211	1.5
148.98694	1.4
184.07292	7.1
184.94930	1.4
187.07639	1.5
257.24796	2.0
313.23642	3.4
313.27301	100.0
422.17978	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	0.5
55.05445	6.0
57.03105	0.5
57.03374	11.9
57.07013	50.1
63.99147	0.5
67.05113	0.6
67.05426	10.3
69.06690	0.5
69.06988	7.4
69.24587	0.4
71.08546	30.2
75.04379	0.9
79.05403	0.6
81.06969	13.2
83.08537	5.9
85.09641	0.7
85.10101	16.1
89.05976	1.7
95.08535	15.6
97.10104	4.1
98.98396	43.6
103.07486	0.5
109.10107	6.7
111.11630	0.9
116.99422	2.1
123.11658	2.3
155.01007	14.6
155.02136	1.0
173.02023	2.2
239.23610	2.5
247.05612	0.8
313.27298	100.0
314.27631	2.4
393.23932	0.8
449.26627	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	485.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	0.5
55.01809	0.7
55.05457	4.3
57.03372	3.8
57.07011	8.1
57.37567	0.3
61.02858	0.5
62.02933	0.2
62.88578	0.3
65.03852	0.6
67.05432	2.5
69.03352	3.6
69.06985	4.0
71.01266	0.4
71.04903	1.4
71.08541	0.4
73.02831	1.3
75.52277	0.4
79.05408	6.9
81.03353	1.3
81.06977	4.9
82.94233	0.3
83.04897	1.3
83.08524	1.5
85.02834	3.9
85.06465	6.0
87.08037	0.4
87.09686	0.3
89.05971	0.8
90.33690	0.3
91.05407	73.8
92.05745	0.5
93.06959	2.7
95.04903	0.5
95.08540	0.7
97.02830	0.3
97.06480	0.6
99.04381	0.6
103.03887	0.4
103.05345	0.4
104.06190	4.6
105.06979	15.7
107.07146	0.3
107.08553	1.4
109.06499	2.3
111.04405	0.6
111.08028	4.5
115.70148	0.3
117.06973	0.5
125.09557	0.5
127.07497	2.9
129.09091	0.6
131.08542	1.1
133.10095	100.0
134.10408	1.4
147.08054	4.1
149.09602	10.9
152.77101	0.3
153.09056	2.2
167.22064	0.3
171.10139	4.0
186.21820	0.4
189.11205	1.7
285.17966	0.4
467.38577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79161	1.0
55.01786	1.3
55.05194	2.1
55.05452	59.0
57.07402	1.0
58.99503	1.3
62.84023	1.0
67.05415	5.2
69.03333	5.0
69.06979	1.6
70.06512	9.3
72.08086	1.5
74.00556	2.1
76.02142	5.7
79.05405	1.3
80.23119	1.0
81.06984	2.4
83.04900	100.0
83.85992	0.9
84.04416	4.8
84.08061	4.8
85.02843	2.1
87.02618	1.9
91.05396	2.6
93.06957	4.9
95.04891	2.3
95.08498	1.1
97.02814	2.2
99.04380	1.9
105.06966	7.3
107.08529	5.2
111.04369	2.3
111.97697	1.0
112.32352	1.1
113.04199	1.7
113.10836	1.1
116.07098	1.7
117.07034	1.5
119.08546	8.2
120.08020	1.2
123.08051	1.6
127.03880	10.9
128.06175	1.3
128.65991	1.2
131.08553	2.6
133.10100	1.4
135.08014	4.7
143.08542	2.5
145.10103	5.4
147.08104	1.3
151.03903	23.2
151.05008	3.2
152.04187	9.7
155.08490	1.9
156.09323	2.1
157.10092	2.0
158.06276	2.5
159.08032	5.3
159.11684	5.5
168.09317	2.1
169.10046	1.3
171.11624	1.2
172.08784	5.4
173.09566	1.9
173.13185	1.7
183.11661	5.2
187.11092	6.4
196.08836	2.3
198.07558	4.3
199.11133	9.5
201.12834	2.2
204.06882	14.1
211.11119	9.8
229.12170	6.1
247.13185	13.5
303.90512	1.1
338.04211	1.2
422.19742	1.9
468.14130	2.0
468.20389	32.9
485.19852	2.5
486.19983	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	486.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	4.6
55.01814	3.0
55.05440	0.7
57.03368	4.4
57.07006	0.5
61.02835	2.2
61.59517	0.3
67.05417	0.8
68.37016	0.4
69.03346	17.5
70.03720	0.4
70.06500	2.4
71.04909	10.6
73.02814	1.7
81.03335	18.3
83.04893	0.6
84.04415	0.8
84.08035	0.6
85.02825	39.8
85.06458	0.9
87.04377	0.5
95.04893	0.8
97.02230	0.7
97.02824	13.9
99.04385	34.9
101.05927	0.5
103.03876	51.7
103.07507	4.2
109.02076	0.5
109.02832	13.3
113.05937	0.7
117.05412	2.0
118.06501	2.4
127.03873	51.8
127.07508	2.1
128.04214	0.5
145.04939	15.5
145.07523	2.7
147.09128	3.9
163.05986	13.0
163.07384	0.5
163.09669	0.7
173.06960	7.7
175.08611	4.1
186.12215	0.4
187.05988	1.9
191.08112	100.0
192.08459	1.4
205.06960	0.7
221.08305	0.4
270.05295	0.5
271.08026	2.0
285.07458	3.2
289.08932	1.6
289.11853	2.4
304.04904	1.5
307.10364	2.2
307.12878	31.9
308.13196	0.6
325.13861	7.3
331.13736	4.3
341.03189	0.5
359.04327	0.9
407.18066	2.9
409.16095	0.5
415.15610	0.9
433.16101	4.6
451.17047	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	486.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	6.0
55.01817	1.6
55.05452	0.8
56.04971	1.3
56.96489	1.1
57.03374	3.0
59.04937	1.2
61.02855	4.3
64.63380	0.6
67.05430	4.1
69.03349	16.5
69.06986	1.0
70.06137	1.1
70.06507	25.1
71.04912	8.9
72.08067	1.0
73.02837	4.4
73.62251	0.6
76.08727	0.7
77.60315	0.5
79.05410	1.0
81.03338	20.8
81.06978	3.4
83.04884	1.3
83.06019	0.6
83.08547	0.7
84.04426	12.6
84.08078	6.5
85.02829	69.7
85.06498	0.9
86.09627	3.2
86.36076	0.7
87.04375	1.1
88.03951	0.7
91.03904	1.0
91.05402	1.0
93.04465	0.7
93.06971	1.0
95.06028	0.6
95.08539	1.3
97.02822	40.6
99.04385	61.3
101.05949	0.9
102.05499	3.3
103.03880	94.5
105.06978	1.0
108.04403	1.0
109.02837	23.5
109.10107	2.6
110.07099	5.7
111.04367	0.8
111.53426	0.6
112.08664	0.8
113.07098	0.7
115.03851	1.4
115.08636	0.7
116.07041	9.4
116.98580	0.8
117.07387	0.7
117.09077	2.6
119.08514	0.9
120.08048	8.0
121.08418	2.9
121.10107	0.7
127.03876	100.0
127.11148	2.4
129.06543	1.5
131.08563	0.7
133.06412	0.7
133.10031	0.6
134.99643	1.2
145.04939	36.2
145.10023	0.7
145.12154	0.6
147.04539	0.8
153.19066	0.6
163.05988	31.9
163.09610	1.2
169.04935	2.6
181.04942	0.8
187.06023	3.8
199.05846	0.6
205.07065	1.5
223.06398	3.2
263.13773	1.5
264.14191	1.3
265.07538	0.9
271.08057	6.7
283.05368	0.9
283.08459	7.7
289.09058	5.4
307.10510	5.4
325.09604	0.7
331.13763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3618
Annotation	Lys Ile Val Lys
Peak:m/z	Relative Intensity
50.67456	0.2
54.04826	0.3
55.85935	0.2
57.07016	0.6
60.05571	0.7
64.65346	0.3
67.05421	0.3
74.00079	0.3
79.05418	0.3
81.06967	0.4
91.05418	3.0
92.05741	1.4
96.60741	0.3
105.06972	0.5
106.07347	0.3
131.45949	0.3
133.10103	4.3
134.10426	2.6
135.10797	0.4
156.25182	0.3
229.66107	0.3
283.17059	0.6
351.85184	0.4
359.26794	0.4
487.35974	100.0
488.36282	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1391
Annotation	Glycitein 6'-O-acetylglucoside
Peak:m/z	Relative Intensity
51.57162	0.1
53.31944	0.1
57.05083	0.1
58.02227	0.1
64.02837	0.1
68.99691	0.1
83.75916	0.1
85.43446	0.1
91.05409	0.2
95.04880	0.1
105.03310	0.1
107.04865	0.2
111.04348	0.1
118.04122	0.7
119.04864	0.3
121.02796	0.2
124.01536	0.2
125.02282	0.2
133.02809	0.2
134.03603	0.1
135.04358	0.3
137.81250	0.1
139.03848	0.5
139.05409	0.1
141.06992	0.6
143.02655	0.1
145.02843	1.1
151.03836	0.4
152.01059	0.7
153.01834	0.1
158.07204	0.1
163.03870	0.2
167.03372	1.2
168.05672	0.7
169.06458	2.0
186.06664	0.5
196.05203	1.1
197.05952	3.8
198.06720	0.1
206.23058	0.1
211.07582	0.1
213.05426	0.5
214.06258	1.4
225.05441	5.4
226.06123	0.4
229.08574	5.3
239.06949	0.1
241.04897	0.2
242.05701	8.2
243.06053	0.1
247.13306	0.1
252.04268	0.2
253.04797	0.5
254.05692	0.2
257.08063	1.1
267.06570	0.1
269.04239	0.1
270.05176	25.7
271.05539	0.6
285.07529	100.0
286.07858	2.8
371.39096	0.1
511.16852	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	489.139
Annotation	Glycitein 6'-O-acetylglucoside
Peak:m/z	Relative Intensity
50.25735	0.1
51.03743	0.1
53.03886	0.1
55.01806	0.1
55.05439	0.1
56.10497	0.1
56.36735	0.1
68.99707	0.3
69.03338	0.6
70.06500	0.8
70.30828	0.1
71.04911	0.2
72.08084	0.2
81.03335	0.6
81.06949	0.2
84.04407	0.2
84.08079	0.2
85.02836	1.2
86.09634	0.5
86.36909	0.1
87.00728	0.1
91.05408	3.3
95.04910	0.1
97.02821	0.5
99.04357	0.1
99.60516	0.1
103.05406	1.8
104.01340	0.1
105.03354	0.2
107.04881	0.3
107.08548	0.2
109.02823	0.5
109.06442	0.2
109.97207	0.1
110.07121	0.2
118.04152	0.9
119.04876	0.5
121.02831	0.2
123.04443	0.1
125.02281	0.2
127.03865	0.5
128.62576	0.1
131.04889	0.5
133.02803	0.3
135.04434	0.3
137.09615	0.2
139.03877	0.6
141.06964	0.7
145.02814	1.0
147.04364	0.2
151.03896	0.2
151.92055	0.1
152.01027	0.6
153.01767	0.2
167.03349	1.2
167.08505	0.6
168.05630	1.2
169.06459	2.5
177.06999	0.2
185.05969	0.2
186.06735	0.2
195.08046	0.8
196.05156	1.0
197.05928	4.1
213.05429	0.6
213.09015	0.3
213.29462	0.1
214.06137	1.3
217.04770	0.1
223.07457	1.3
225.05426	6.2
226.06041	0.5
229.08566	5.6
241.04886	0.2
241.08575	0.8
242.05670	9.9
253.04918	0.5
254.05458	0.2
257.08047	1.2
267.06409	0.2
269.04276	0.3
270.05164	25.6
271.05551	0.8
285.07516	100.0
286.07803	2.5
414.30911	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	489.1389
Annotation	Acacetin 7-(6'-acetylglucoside)
Peak:m/z	Relative Intensity
51.74933	0.2
52.23161	0.2
53.03876	1.5
55.01795	0.7
55.05462	0.3
55.63321	0.2
57.03357	1.2
61.02842	0.6
67.05410	0.3
69.03004	0.4
69.03351	7.5
70.06495	1.8
70.06837	0.3
71.01247	0.3
71.04912	0.6
73.02813	1.4
79.05387	0.3
81.03334	7.4
81.06969	0.4
83.38067	0.3
84.04433	0.5
84.08055	1.5
85.02824	8.0
86.09616	0.7
91.05400	0.5
93.06955	0.4
95.04854	0.3
97.02830	3.8
99.04370	1.5
100.11133	0.3
102.03681	0.4
103.03864	1.4
109.02821	3.8
115.67451	0.3
119.08565	0.3
125.02318	0.3
127.03861	3.7
129.10162	0.3
145.02824	1.2
149.07445	0.6
159.09099	0.5
167.03363	0.6
168.05653	0.5
169.06454	1.5
187.06012	1.3
196.05135	0.6
197.05922	3.2
213.05434	0.4
214.06332	0.4
225.05457	3.5
229.08588	3.8
242.05666	4.9
254.05533	0.4
255.02943	0.3
257.08054	1.5
267.06451	1.4
270.05154	18.4
275.23502	0.3
285.07510	100.0
286.07861	2.9
309.07474	0.5
327.08572	1.5
489.13779	4.2
489.26733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1389
Annotation	Acacetin 7-(6'-acetylglucoside)
Peak:m/z	Relative Intensity
53.05234	0.2
53.12941	0.2
55.05455	0.3
56.04961	0.3
60.04474	0.3
64.38212	0.2
67.05414	0.3
69.03340	0.4
69.06996	0.3
70.06516	6.5
71.04874	0.2
72.08061	1.3
79.05389	0.4
81.03306	0.3
81.06969	0.6
81.31344	0.2
83.06004	0.3
84.04409	1.3
84.08069	2.3
85.02802	0.6
86.09634	2.5
88.03933	0.3
91.05407	0.5
95.08550	0.3
96.09451	0.2
97.02824	0.4
102.05455	0.3
105.06976	0.5
109.10089	0.4
110.07100	1.6
118.04089	0.4
118.90550	0.2
119.08535	0.4
120.07978	0.4
129.10204	0.9
132.56104	0.3
139.03886	0.5
141.06979	0.3
145.02820	1.4
147.04420	0.3
151.04022	0.2
152.00981	0.5
159.08101	0.3
163.03911	0.3
167.03331	1.2
168.05627	1.1
169.06490	2.2
177.05450	0.4
183.13821	0.4
185.06076	0.3
187.10710	0.3
196.05154	1.1
197.05957	4.4
214.06223	1.3
215.06638	0.2
221.65379	0.3
225.05452	5.2
229.08592	5.3
242.05673	9.0
245.96002	0.3
253.04973	0.3
257.08008	1.1
261.17386	0.3
270.05185	25.3
270.71652	0.3
271.05881	0.3
285.07523	100.0
286.07843	3.4
489.30188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3187
Annotation	Ser Val Lys Arg
Peak:m/z	Relative Intensity
55.91871	1.3
80.34082	1.7
86.09621	2.2
98.44173	2.0
114.37265	1.8
121.71735	1.6
124.89040	1.4
136.06165	7.6
143.42851	1.5
171.82341	1.8
216.17720	1.5
323.91016	1.6
370.84293	1.6
432.73248	1.9
488.36069	10.6
488.42068	2.1
489.31592	100.0
490.32077	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	490.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	12.5
55.01813	17.4
55.05463	2.6
56.04975	3.6
56.96503	1.8
57.03366	9.5
59.19424	1.3
60.05556	1.6
61.02851	11.1
62.45863	1.3
64.36395	1.3
65.03839	1.7
67.05424	2.6
67.51229	1.3
68.99704	3.6
69.03352	30.6
70.06510	54.1
71.04906	10.4
71.31431	1.3
72.08082	3.0
73.02831	9.6
74.50280	1.5
81.03337	41.6
83.04910	2.4
83.06027	1.9
84.04424	27.1
84.08059	19.3
85.02826	83.6
86.09607	12.5
87.00752	41.5
87.01233	2.8
87.04372	2.1
88.03930	3.0
90.05495	1.5
91.05412	17.5
92.05750	2.1
92.82028	1.5
95.04900	2.0
97.02820	32.1
99.04372	16.7
101.07077	2.2
102.05502	3.7
102.87681	1.4
103.03869	2.6
105.01807	21.5
105.07026	1.8
107.08540	2.5
108.04409	6.2
109.02834	39.8
110.07094	13.0
112.08671	2.1
115.08649	2.1
116.07005	2.9
117.01798	2.2
117.03355	2.4
119.04901	29.6
120.08062	9.4
126.05470	2.5
127.03883	48.3
128.53697	1.6
129.01790	3.8
129.06558	2.2
129.10191	8.2
133.06499	2.2
136.07561	2.1
138.07149	1.5
138.09157	6.2
140.08134	1.8
145.02814	2.2
145.04907	23.6
147.04364	34.1
148.04794	1.7
151.03865	15.9
159.02852	13.3
159.81572	1.8
166.08615	2.5
175.03862	49.6
177.05447	3.5
180.95985	1.7
181.04930	19.0
184.09718	7.6
192.04129	13.3
207.06496	100.0
208.06822	3.2
213.03931	2.6
213.12389	1.7
223.06369	2.8
225.07520	43.7
231.04955	8.3
283.08615	3.7
329.08524	9.4
344.96735	1.8
455.11584	3.0
491.17422	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	490.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69506	0.7
52.51598	0.8
53.03873	1.2
55.01814	1.8
55.05457	10.6
57.03365	1.0
57.07006	4.2
59.04916	0.9
59.55577	0.8
61.02840	1.0
67.05428	8.3
69.03345	10.6
69.06983	5.3
70.06512	3.8
71.04912	3.5
73.02822	1.8
79.05406	10.8
81.03342	5.7
81.06974	21.9
83.04903	3.8
83.08525	1.9
85.02825	86.5
85.06468	5.9
87.00744	7.8
91.05402	22.2
91.35773	0.8
93.06972	13.8
95.04877	6.5
95.08542	13.3
96.25960	1.0
97.02837	7.4
97.06477	1.1
99.04408	1.7
103.05396	3.6
105.01794	6.4
105.06969	82.6
107.04887	1.3
107.08539	18.5
109.02838	4.8
109.06465	43.3
109.10106	10.8
111.07944	0.9
117.06967	9.1
119.08537	86.4
120.08885	1.5
121.06456	1.4
121.10089	29.0
123.08021	19.4
123.11658	69.0
124.11996	1.0
125.05939	4.2
127.03854	7.3
128.06190	1.0
129.06992	1.9
130.07739	4.4
131.08531	8.8
132.09328	2.1
133.06505	7.3
133.10088	3.9
135.08018	2.1
135.11661	1.3
137.09563	4.7
137.13319	0.9
143.08493	1.9
145.04922	1.4
145.10094	21.3
147.08031	5.9
147.11662	100.0
148.12030	1.8
149.09570	13.7
151.03818	0.9
151.07544	7.9
156.09328	8.7
159.02917	1.8
159.07982	1.7
159.11693	0.9
159.27196	1.0
161.09554	1.1
161.13242	4.0
163.11139	12.8
165.12646	6.8
171.11656	5.3
173.13223	0.9
174.10382	6.7
189.12697	84.3
190.13020	1.6
191.08115	4.4
191.14265	1.1
207.13762	99.2
208.14017	3.0
220.83014	0.8
225.14807	22.1
249.06036	1.6
384.11691	1.0
429.17099	4.0
463.13797	1.1
491.17014	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	490.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	2.2
54.81742	1.4
55.01815	2.3
55.05453	15.7
56.04978	2.6
56.96501	2.2
57.03370	1.2
61.02869	1.0
65.03857	2.3
67.05436	10.3
67.43079	1.0
69.03356	11.2
69.06994	6.7
70.06515	99.3
71.04906	2.3
71.06841	2.8
72.08073	1.3
73.02853	1.5
76.02153	1.9
79.05405	11.0
81.03355	14.1
81.06982	10.7
83.04893	5.4
83.08555	1.6
84.04435	37.1
84.08063	5.9
85.02842	25.0
85.06475	7.0
86.09632	10.5
87.00761	2.9
87.04411	1.4
88.03923	3.1
89.96438	1.3
90.05543	1.9
91.05405	25.0
93.06963	9.0
95.04895	7.2
95.08538	18.0
97.02816	3.1
97.06474	1.8
98.05968	1.9
99.04403	1.8
101.07108	1.4
102.05473	6.4
103.05395	2.7
105.00217	1.3
105.01812	5.8
105.06982	76.5
107.04897	2.4
107.08540	19.7
108.98052	1.3
109.02827	6.0
109.06486	20.5
109.10109	5.7
110.03598	2.3
112.08691	2.8
113.07070	2.1
115.08671	4.9
116.01605	1.8
116.07033	1.5
116.98563	1.3
117.06985	8.8
119.08541	73.2
120.08061	5.3
121.06418	1.4
121.10117	20.3
123.08032	14.1
123.11671	7.6
125.05950	1.9
125.07043	1.4
127.03894	6.7
129.10210	1.9
130.07777	3.3
130.77196	1.2
131.08548	9.5
132.09334	2.5
133.06435	6.2
133.10085	14.0
135.11632	2.1
137.09613	24.8
137.13206	1.4
143.08492	2.0
144.28783	1.3
145.04919	1.5
145.10106	17.9
147.08047	5.6
147.10486	2.8
147.11668	80.3
149.09605	48.6
151.03889	2.3
151.07545	3.0
151.11205	12.8
156.09349	6.6
158.02678	2.6
159.02866	1.6
159.07973	2.2
161.09599	2.1
161.13197	6.3
163.11150	10.8
165.12729	5.6
171.06535	2.0
171.11671	6.5
174.10410	6.9
176.03702	2.3
177.05551	1.6
181.04921	66.4
189.12712	71.8
191.14143	1.9
193.06418	2.1
194.12811	1.4
207.13783	100.0
208.14166	2.2
225.14841	2.5
254.16016	1.6
255.06493	2.7
322.10709	2.5
459.20416	1.5
471.34308	1.7
472.20972	1.9
486.62323	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2988
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
54.00434	0.4
54.64471	0.5
54.64816	0.4
55.71209	0.4
58.31992	0.5
62.85565	0.4
70.06501	0.4
82.23046	0.5
85.02814	0.5
143.90529	0.4
150.73743	0.5
181.04913	0.9
233.46783	0.5
237.00858	0.4
240.58405	0.5
491.29849	100.0
492.30215	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	492.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86489	0.5
53.00250	0.6
53.03884	6.6
55.01805	7.6
55.05435	1.5
57.03379	4.6
57.98006	0.5
59.04927	0.7
61.02858	4.4
63.79094	0.5
64.33528	0.7
65.03866	0.6
67.05421	3.0
68.05035	0.6
68.99707	1.4
69.03345	22.3
69.06990	6.0
70.06504	11.9
71.04896	9.2
71.06878	0.5
72.08076	0.9
73.02827	4.1
74.05962	0.5
79.05394	10.2
81.03334	21.1
81.06956	2.6
83.04892	2.9
84.04416	3.3
84.89690	0.6
85.02824	44.3
85.06462	3.0
86.05973	2.7
86.09614	0.7
87.00748	20.1
87.04387	6.8
91.03855	1.5
91.05385	8.8
93.06964	10.7
95.04887	3.0
97.02818	17.5
97.06459	0.8
98.06013	0.9
99.04379	12.9
103.03885	6.1
104.07028	4.2
105.01804	7.6
105.06969	11.9
107.04907	9.0
107.08517	13.5
108.04408	3.1
109.02819	17.2
109.06455	2.6
109.10039	0.6
111.04379	1.3
115.03835	0.6
115.08673	0.7
117.01809	3.0
117.03342	0.8
117.06969	3.4
119.08519	8.3
120.08052	2.6
121.06461	11.1
121.10073	8.4
123.04373	0.7
123.08055	0.7
125.05932	2.7
126.05450	2.1
127.03868	22.7
129.01747	1.4
129.06940	3.1
130.07751	1.1
131.08522	57.9
132.08850	0.9
133.10081	2.6
135.08020	1.3
135.11646	1.4
137.09567	0.8
138.05478	1.5
145.02846	1.2
145.04959	8.7
145.10109	14.2
147.07945	1.8
147.11647	3.7
149.05911	4.5
149.09590	25.7
149.10696	0.9
151.03899	1.4
152.04559	0.7
153.05449	4.3
159.02872	6.3
163.06039	1.0
163.07443	0.9
163.11119	7.8
165.09036	2.5
167.06990	100.0
167.10654	2.7
168.07402	1.3
173.09569	1.3
175.14799	3.2
177.05435	7.9
181.05069	1.2
181.08553	2.8
191.10623	12.9
191.14255	1.3
209.08118	14.4
209.11676	47.3
216.12344	1.0
227.09079	28.6
227.12755	3.8
231.04984	2.7
248.07570	0.8
249.05949	0.6
251.09065	2.4
330.09549	2.5
335.11111	2.8
345.79144	0.7
449.95551	0.6
464.70267	0.6
497.37686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44882	0.6
51.27306	0.6
51.38703	0.6
55.01550	0.8
55.01809	16.6
55.05444	8.7
55.75941	0.7
56.04963	1.6
57.03385	1.3
57.07014	1.6
58.45017	0.6
58.99520	13.5
61.02825	0.6
67.05437	6.0
69.03345	3.9
69.06995	1.4
70.02888	0.9
70.06505	4.1
71.04929	2.6
71.08186	1.3
71.08549	23.2
71.08945	0.8
72.04448	6.7
72.08065	0.8
73.02819	0.8
74.00576	6.3
74.32057	0.6
75.02634	0.6
76.02142	65.1
79.05398	11.5
80.04905	1.0
81.03334	1.6
81.06979	5.3
83.01260	1.3
83.04891	3.0
83.06013	4.9
83.08549	1.0
84.04427	40.5
84.08071	1.5
85.01055	6.6
85.02826	5.2
85.06447	1.5
86.00587	5.7
86.09645	0.9
86.98983	3.6
87.00761	1.1
88.02141	1.8
90.04959	1.4
90.05484	31.9
91.05415	3.3
93.06995	6.4
95.04894	4.1
95.08514	1.5
96.04389	1.5
97.02808	6.0
97.06438	3.0
98.00594	0.7
99.04398	12.3
99.07368	1.2
99.08023	31.2
99.08636	1.4
100.03919	0.7
101.02347	1.1
102.03699	3.4
102.05473	0.8
103.03914	1.4
104.01618	8.0
105.06984	5.1
107.04894	6.1
107.08533	21.8
109.02810	1.2
109.06477	4.5
109.10090	1.4
110.83135	0.7
111.02603	5.3
111.04373	6.0
112.02140	1.2
114.00066	16.7
116.01627	20.8
116.10677	3.3
117.06945	8.6
119.08560	1.5
120.04424	1.4
121.10108	4.0
123.08025	1.7
124.02098	1.2
125.09576	1.4
126.05471	30.4
127.03876	3.5
129.06531	6.0
130.03194	2.7
130.04999	5.5
131.01672	0.8
131.02687	3.0
131.08530	0.8
133.04254	0.9
133.10129	3.3
135.08022	18.6
139.11160	0.9
141.06577	1.3
142.03217	6.7
143.02708	0.9
144.06537	10.0
144.74850	0.9
147.11594	3.7
152.10732	0.8
153.06538	1.5
153.09079	14.4
155.01587	0.8
156.08360	1.1
157.06805	7.1
158.02689	46.1
159.07637	3.4
161.09615	0.9
165.07288	1.1
165.12627	0.9
167.08919	0.9
170.02676	3.4
170.11737	4.3
171.10107	6.5
173.13142	1.3
175.05379	4.4
176.03729	18.9
177.00661	0.8
181.06201	0.9
182.09949	5.1
185.03772	6.5
185.06342	1.0
187.05354	6.3
191.14287	3.0
193.06412	17.7
194.04817	1.4
203.04893	5.1
203.07335	3.9
209.15350	5.3
209.73543	0.7
210.09447	16.6
211.07881	3.4
224.11343	0.9
227.16406	4.2
228.10489	27.1
233.05869	7.8
237.02950	0.8
238.09026	1.7
246.11562	8.2
259.07343	0.9
274.10977	0.7
285.07663	1.4
286.07938	3.5
287.08289	3.0
299.14221	4.1
327.13669	18.1
345.14722	100.0
363.15753	10.8
364.25452	1.2
385.14288	1.5
403.15335	12.7
474.19070	1.1
492.20111	7.5
492.30374	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	492.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01587	1.0
55.01812	17.1
55.05447	6.5
56.04962	1.8
57.03371	1.1
57.06990	1.2
58.99516	16.9
67.05421	5.3
68.04969	1.0
69.03348	1.4
69.39742	0.8
70.06496	3.8
71.04901	1.9
71.08546	23.9
72.04429	7.4
73.02811	1.4
74.00564	5.1
74.43647	0.9
75.01351	0.9
76.02141	61.6
79.05403	13.7
80.04922	1.0
81.03335	1.1
81.06957	3.8
83.01257	1.5
83.04879	1.3
83.06033	6.8
84.04429	39.2
84.04926	1.5
84.08062	1.0
84.11575	1.0
85.01058	7.6
85.02815	1.4
85.05766	1.0
85.06435	1.6
86.00565	9.0
86.78512	1.0
86.98970	2.0
88.02132	2.4
90.04957	1.7
90.05477	33.4
91.05387	4.6
92.04890	1.2
93.06949	6.1
95.04901	1.1
97.01027	1.4
97.02810	6.2
99.04395	13.8
99.08023	29.1
102.03690	2.4
102.44479	0.9
104.01631	8.6
105.06959	3.5
107.04887	5.1
107.08537	23.0
107.77947	1.1
109.06441	1.0
109.10122	1.3
111.02599	4.8
111.04380	6.1
114.00063	19.3
116.01632	24.2
116.10689	1.6
117.06963	8.1
120.04420	29.7
125.09613	1.6
126.05484	22.8
129.05719	1.0
129.06529	7.9
130.03127	1.6
130.04977	5.6
131.02702	1.8
133.10178	1.0
135.08018	17.0
141.04805	1.3
141.06456	1.5
142.03188	7.4
143.02728	4.0
144.04439	3.9
144.06534	10.5
151.03874	1.9
153.06575	1.4
153.09103	13.5
157.06799	7.2
158.02687	45.7
162.05469	67.2
165.07306	2.0
167.08864	1.4
170.02621	1.3
170.11740	3.9
171.10100	3.9
175.05327	5.9
176.03746	16.6
181.05956	1.0
182.09993	3.9
183.08444	1.1
185.03795	7.5
187.05356	7.6
193.06418	19.1
194.04778	1.5
203.04829	4.0
203.07306	5.5
210.09462	17.5
211.07854	5.7
215.04936	1.4
228.10500	31.9
233.05814	9.9
233.09457	1.0
238.09000	1.4
246.11494	8.6
246.64270	1.0
285.12500	1.3
299.14233	2.1
309.12625	1.8
327.13657	21.1
334.17191	0.9
345.14719	100.0
346.14880	2.2
363.15839	8.0
385.14169	1.3
403.15347	15.7
429.16464	1.2
474.19113	1.3
492.19766	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	492.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	0.6
55.01811	1.4
55.05453	5.9
57.03361	1.5
57.07009	0.8
59.83279	0.5
61.96904	0.5
67.05415	4.9
69.03349	12.5
69.06987	8.4
70.06500	3.4
71.04906	10.1
77.04643	0.6
77.43702	0.6
79.05404	18.8
81.03323	3.3
81.06985	5.9
83.04900	3.6
84.04424	1.3
85.02827	5.1
85.06458	2.6
87.00742	3.0
87.04401	0.6
91.05399	16.0
93.06963	22.3
95.04900	4.8
95.08538	2.9
97.02824	3.7
97.06451	4.2
99.04407	1.3
103.05402	0.9
105.01794	1.0
105.06971	42.3
107.04879	6.2
107.08533	32.3
109.02816	1.0
109.06470	3.1
115.05416	0.7
116.06207	0.9
117.06968	5.2
119.08535	39.8
120.08037	0.7
121.06445	15.3
121.07251	0.8
121.10091	20.5
123.08002	2.7
123.11654	2.7
125.05971	2.8
125.09577	1.4
127.03870	3.7
129.06961	2.5
130.07750	1.4
131.08528	100.0
132.08899	0.6
133.10027	1.0
135.04317	0.8
135.08032	2.4
135.11656	2.3
137.05974	0.8
141.05502	0.7
143.08568	0.9
145.04976	2.4
145.10094	26.8
147.08037	3.1
147.11665	27.1
149.05978	0.9
149.09599	40.7
149.13153	0.8
153.05440	5.6
159.02818	0.7
163.11140	14.1
165.09038	1.0
165.12727	9.4
166.15863	0.7
167.06975	1.3
167.10631	2.9
173.09583	2.9
173.13213	3.3
185.36569	0.7
191.10626	21.2
191.14265	11.8
209.11687	82.2
209.15292	4.2
210.12047	1.2
227.12698	2.7
231.04953	0.9
280.10358	0.7
284.09561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	0.9
53.03896	1.0
55.01805	1.7
55.05452	10.0
56.04963	1.0
57.03365	1.0
57.07000	4.1
59.04922	1.0
60.19009	0.7
62.05997	0.9
64.41681	0.9
67.05416	6.2
69.03356	9.0
69.06989	17.2
70.06512	8.0
72.08053	1.6
73.02808	0.9
79.05396	6.0
81.03320	3.8
81.06976	12.9
83.04899	1.5
83.08521	5.6
84.04451	6.3
84.08051	2.1
85.02816	6.7
85.06448	1.4
86.09638	1.5
87.00763	3.2
91.05402	13.2
93.06974	8.7
95.04892	1.3
95.08540	18.6
97.02834	3.2
97.10070	0.9
99.04373	1.7
103.05353	1.6
105.06982	25.5
107.04882	1.4
107.08540	16.8
109.02818	5.8
109.06475	3.7
109.10109	20.7
110.07130	1.3
117.06956	2.1
119.08537	78.7
120.08049	4.4
121.10117	7.8
123.07989	2.1
123.11681	1.9
123.44562	1.0
124.73998	0.9
125.09588	8.1
126.05410	1.4
127.03874	5.5
129.06952	1.1
131.08542	6.4
133.10100	83.7
135.04408	1.1
135.08015	3.7
135.11650	7.3
137.09569	4.7
138.05479	3.9
143.08594	2.0
145.04936	1.3
145.10110	8.6
147.11659	17.9
149.09630	3.6
149.13246	4.5
153.09084	1.6
158.10811	1.7
159.11658	1.2
160.12436	2.1
161.09576	4.2
171.06152	0.9
173.13242	8.5
175.14790	100.0
176.15150	3.6
181.08693	1.0
185.25555	1.0
191.14302	17.1
193.15839	2.1
207.10060	1.8
209.15337	12.4
314.78644	0.9
457.20520	3.8
463.94928	1.1
478.33731	1.1
491.29843	1.0
492.30130	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39257	0.3
53.00250	0.7
53.03882	2.0
55.01814	2.0
55.05442	11.4
57.03368	1.7
57.07018	3.6
61.02850	0.9
67.05428	7.9
69.03346	27.6
69.06985	9.5
70.06509	4.1
71.04898	4.7
73.02826	0.8
74.96762	0.4
77.03841	0.5
79.05403	11.8
81.03336	6.1
81.06513	0.5
81.06975	11.5
83.04908	3.4
83.08495	0.4
84.04427	0.9
84.08049	0.4
85.02825	13.7
85.05987	0.7
85.06465	16.4
86.06097	0.4
87.00742	6.8
87.04395	1.6
88.48485	0.4
91.05403	23.0
93.06968	13.1
93.53457	0.4
95.04877	3.8
95.08526	8.2
97.02823	8.8
97.06425	2.9
98.97527	0.4
99.04371	3.2
103.05415	1.9
104.06982	0.5
105.01798	4.9
105.06970	99.8
106.07265	1.5
107.04885	1.9
107.08532	25.1
109.02834	4.5
109.06472	6.0
109.10120	0.9
110.07167	0.6
111.04388	2.7
111.08015	0.8
116.06212	0.8
117.01802	0.5
117.06960	6.5
119.08530	100.0
120.08057	0.6
120.08870	1.7
121.06460	5.4
121.10092	17.3
123.08023	5.4
123.11640	7.6
125.05965	0.9
125.09572	5.9
126.09122	0.5
127.03866	8.9
129.06975	2.4
130.07710	0.6
131.08525	24.8
132.09358	3.0
132.10823	0.4
133.10089	3.6
135.08009	5.5
135.11687	3.3
137.09615	2.9
137.13239	0.7
143.08543	2.5
145.04956	3.3
145.10095	16.9
145.11243	0.6
147.07993	1.7
147.11658	84.3
148.11967	0.8
149.05956	1.6
149.09593	17.4
149.13268	3.4
151.07503	0.4
153.05434	1.7
153.09081	1.7
158.10884	3.3
159.02890	1.5
163.11108	6.2
163.14754	0.8
165.09044	2.7
165.12714	35.5
166.13031	0.6
167.06947	0.5
167.10623	5.9
173.09630	1.9
173.13208	10.0
179.07042	0.4
191.10666	11.1
191.14262	36.0
192.10971	0.4
192.14709	0.4
197.11610	0.5
197.24007	0.4
207.06509	1.6
209.11690	16.7
209.15312	11.7
210.12024	0.5
210.15703	0.6
218.62608	0.5
225.07471	0.8
227.12727	20.0
228.13000	0.5
231.04968	2.6
249.06114	0.8
249.11139	0.5
267.12131	0.7
284.09723	2.7
307.85782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85032	1.3
53.03879	9.2
54.81646	1.7
55.01803	10.6
55.05454	20.8
57.03375	15.9
57.07001	4.0
59.04908	2.8
60.25380	1.5
61.02846	7.5
67.05428	20.6
68.14654	1.5
68.99691	3.5
69.03352	48.7
69.06972	9.8
71.04916	20.5
73.02831	7.4
74.93963	1.5
77.90789	1.8
79.05398	20.6
81.03336	39.1
81.06966	27.4
83.04903	27.8
83.08543	12.6
85.02827	88.4
85.06463	65.0
86.03194	1.8
87.00760	44.1
91.05394	13.6
93.06950	25.1
95.04894	22.1
95.08519	9.2
97.02824	48.8
97.06469	14.9
99.04395	20.8
99.08024	13.9
105.01807	20.0
105.06979	31.2
107.04890	8.8
107.08537	44.6
109.02821	32.8
109.06466	31.7
109.10094	28.3
111.04387	11.6
111.07994	7.4
117.01787	2.3
117.06947	7.0
117.09080	31.7
119.08533	23.3
121.06479	15.4
121.10101	34.0
123.07982	3.2
123.11681	7.8
125.05943	2.6
125.09583	3.5
127.03883	43.8
129.01715	2.3
129.06938	4.0
131.08537	74.3
131.25320	1.9
133.10091	44.1
135.08006	7.2
135.11702	6.8
137.09535	7.8
139.11134	1.9
143.08556	2.0
145.04970	13.7
145.10104	27.7
147.08041	3.6
147.11678	14.0
149.09601	50.1
149.13216	9.3
151.11166	10.9
153.09097	8.2
158.10904	2.8
159.02875	15.2
163.11127	22.6
163.14737	2.5
165.09094	7.1
167.07019	2.2
167.10626	23.4
167.14262	14.3
173.09576	3.6
173.13220	18.8
175.14769	3.8
177.54330	2.1
191.10652	48.6
191.14278	19.4
193.42969	1.9
199.01506	1.8
209.11705	49.2
209.15320	45.8
210.12094	2.9
227.12749	100.0
227.16385	8.0
231.04866	3.0
265.44849	2.3
311.60104	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	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67587	1.4
53.00260	1.8
53.03885	12.2
55.01801	11.8
55.05460	15.0
55.76268	1.7
57.03368	11.2
57.06997	2.2
59.94983	1.5
61.02852	3.8
61.99992	2.0
63.43294	1.5
65.03909	1.6
67.05420	19.5
68.99699	2.8
69.03352	32.4
69.06990	19.2
70.06495	13.9
71.04910	18.8
72.08051	3.0
73.02824	7.9
74.93214	1.5
79.05406	39.7
81.03329	23.2
81.06976	55.4
83.04887	23.3
83.08540	11.8
84.04428	3.4
85.02830	65.0
85.06464	2.7
86.09628	2.5
87.00758	29.2
87.04379	2.7
91.05399	33.7
93.06979	41.7
95.04895	75.9
95.08523	23.4
97.02833	19.4
97.06455	10.3
99.04396	24.2
103.05424	2.4
105.01809	18.5
105.06973	56.8
107.04922	15.4
107.08540	69.5
109.02837	24.2
109.05730	3.2
109.06470	78.1
109.10106	50.0
111.08033	2.5
112.04090	1.7
117.01833	2.9
117.06969	7.9
117.09056	1.9
119.08524	40.0
120.08059	8.3
121.06462	15.4
121.10094	41.2
123.07993	10.3
123.11662	9.6
125.09563	2.6
127.03867	27.2
128.06195	3.1
129.01865	1.8
129.06976	3.4
129.10132	1.9
130.07748	2.2
131.08536	81.5
133.10095	100.0
133.93460	1.7
135.08051	14.1
135.11629	15.6
137.09592	26.3
139.11124	13.3
142.90366	1.7
143.08540	16.5
145.04951	7.8
145.10091	36.7
147.02827	2.2
147.08017	10.1
147.11674	17.2
149.09590	34.4
149.13234	32.2
151.11200	4.1
153.05449	3.6
153.09093	17.9
158.10875	13.0
159.02867	10.1
161.09596	44.3
163.11113	23.0
165.09068	25.7
165.12724	2.5
173.13222	48.6
175.14795	3.5
189.08989	2.4
191.10632	17.4
191.14249	56.8
207.10162	11.1
209.11711	49.2
209.15291	34.2
227.16447	2.7
231.04936	3.4
232.13063	2.1
264.41644	2.1
353.83405	1.9
436.27017	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74006	1.2
53.03879	1.6
55.05449	9.3
58.06513	1.9
58.83436	1.1
67.05428	17.8
69.06991	2.3
69.75134	1.2
70.06519	1.3
79.05400	16.5
81.06979	6.7
82.06500	2.9
83.04914	1.7
83.08540	2.3
85.05229	1.9
86.09625	2.9
86.46059	1.2
91.05381	2.1
93.06976	5.8
95.08525	2.2
98.05987	5.6
107.08523	11.8
109.10109	6.8
119.08531	2.1
124.11204	24.2
124.99928	1.3
129.71754	1.3
162.58209	1.3
168.13770	2.7
170.11710	3.2
173.67430	1.6
184.07211	2.5
196.13272	29.2
206.00665	1.3
231.12344	1.7
320.25790	100.0
321.26172	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	492.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	2.2
60.08099	26.5
64.33708	0.9
67.05429	6.4
69.06997	1.7
69.31046	0.9
70.03170	1.1
71.07283	9.9
81.06969	6.4
83.08525	1.0
84.26334	1.2
85.02809	1.2
86.09631	76.8
91.05370	1.4
93.06973	1.8
95.08532	4.5
98.98390	8.0
104.10683	92.6
109.10130	1.1
116.91109	1.0
119.08582	1.9
124.99965	45.4
125.00839	2.1
184.07312	100.0
185.07634	1.2
199.86325	1.1
310.61221	1.2
322.09991	1.2
399.26575	1.4
470.98624	1.4
474.29623	7.5
492.30786	27.5
493.31210	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1916
Annotation	Rhyncoside D
Peak:m/z	Relative Intensity
53.03887	2.7
53.97946	0.6
55.01808	3.3
55.05446	7.8
56.54135	0.7
57.03366	1.5
67.05425	12.3
69.03345	8.6
69.06987	3.5
70.06511	12.3
70.50301	0.7
71.04908	4.0
72.08044	0.6
72.68441	0.6
73.02821	1.1
79.05406	20.8
79.05882	1.1
80.05724	0.7
81.03324	3.0
81.06973	10.9
82.07271	0.9
83.04898	6.9
83.51599	0.7
84.04427	7.8
84.08087	0.9
84.27248	0.7
85.02827	10.8
87.00754	2.7
90.05466	2.8
91.05394	10.4
92.05760	0.7
93.06985	8.4
94.06477	1.3
95.01260	4.8
95.04893	17.7
95.08525	6.2
96.05176	1.1
97.02805	3.4
97.06465	3.6
99.04372	5.8
105.01815	1.0
105.06976	17.2
107.04898	27.0
107.08526	8.0
108.08865	1.1
109.02814	1.3
109.06465	12.8
109.10107	47.4
110.05981	0.8
110.06826	0.9
110.10418	0.9
111.04392	3.7
112.07584	0.9
113.02321	1.4
116.01612	0.8
117.06974	1.7
117.21617	0.7
119.08533	14.5
120.08042	1.1
120.08866	0.9
120.27928	0.7
121.06453	4.6
121.10110	5.0
122.05945	3.3
122.06783	0.8
122.10378	0.8
123.07999	3.8
123.11698	1.2
125.05942	0.9
127.03873	3.8
128.06201	7.2
129.06952	5.0
131.08537	7.6
132.08873	3.0
133.10092	23.6
134.10432	3.3
135.08017	2.9
135.11618	1.6
136.07527	1.4
137.05951	0.9
137.09592	58.2
139.11072	0.9
140.07039	2.7
141.01787	3.6
143.08533	16.9
144.39075	0.8
145.10078	5.2
146.06114	0.8
146.07271	4.3
146.10426	1.4
147.08031	20.7
147.11682	2.8
149.09587	4.0
149.13225	1.5
151.11142	3.1
153.09097	1.6
158.02606	0.8
159.02898	3.0
159.07979	1.0
161.09583	100.0
162.09845	1.4
163.11131	3.8
164.11499	1.1
165.09079	54.9
173.13223	3.5
174.06734	1.4
174.13567	1.4
175.14714	1.1
179.10597	7.9
189.09081	7.8
191.14240	4.4
192.14661	0.9
197.11635	1.4
203.99925	0.8
207.10135	33.5
209.11737	3.0
209.15407	1.5
210.11989	1.7
211.13350	1.0
225.11230	13.7
278.41568	0.8
310.06198	0.7
358.36469	0.8
401.14374	3.4
492.20004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	3.9
55.01809	5.5
55.05445	3.6
56.04959	1.0
57.03361	4.8
57.06996	0.9
61.02851	2.9
65.03849	0.9
67.05414	7.6
68.39307	0.6
68.99715	1.2
69.03348	16.5
69.06987	11.5
70.06138	1.2
70.06506	25.5
71.04900	11.6
71.06833	1.0
73.02821	3.7
76.02126	1.2
79.05399	7.8
81.03337	14.1
81.06971	13.3
82.73607	0.7
83.04887	4.0
83.05981	1.0
84.04430	8.8
84.08052	4.0
85.02825	36.8
85.04756	0.9
85.06464	4.9
86.09633	1.3
87.00746	16.8
90.05486	1.1
91.05396	21.6
93.06966	20.7
94.06480	1.0
95.04872	5.6
95.08527	4.9
97.02828	12.7
97.06483	1.2
98.13675	0.7
99.04367	8.2
103.03870	2.9
105.01808	10.0
105.06969	23.7
107.04888	4.1
107.08540	9.8
109.02827	11.6
109.06468	14.3
109.10098	3.5
110.05943	0.7
110.07103	1.0
112.08646	1.0
113.05954	1.2
117.01746	0.9
117.06943	0.8
119.04883	1.5
119.08518	10.9
120.08041	3.0
121.06472	1.4
121.10087	3.4
122.05992	3.2
123.08001	2.9
123.11656	1.3
125.05946	3.1
126.05411	1.0
127.03872	16.8
127.07510	2.5
129.01776	1.5
129.06888	0.8
129.10193	1.1
130.04906	0.8
131.08528	10.6
132.08870	0.9
133.06425	1.1
133.10091	94.5
134.10419	1.5
135.11632	1.6
136.07547	2.9
137.05948	8.0
137.09589	0.9
142.03154	0.8
143.07050	1.1
145.04918	4.3
145.10074	1.1
147.08003	1.1
147.11659	22.6
149.09598	7.1
150.38850	0.7
151.07509	4.6
151.11151	60.6
155.06995	16.2
156.67458	0.7
157.10023	1.1
159.02856	4.4
161.09563	1.1
165.09111	1.7
165.12694	4.7
169.08566	1.5
175.11125	15.1
193.12199	45.9
193.15863	0.9
209.11732	1.4
210.12018	1.2
211.13245	100.0
212.13493	0.7
229.14296	41.9
229.16573	1.7
231.04941	1.6
268.06998	0.7
297.07465	4.3
305.66162	0.8
307.10562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2877
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
55.05442	19.7
57.03379	10.9
62.06014	38.7
63.75896	7.2
66.62820	8.3
67.05439	75.5
69.06980	13.6
79.05397	56.4
81.06978	73.5
82.48148	9.0
83.08559	11.3
91.05415	14.0
92.41056	8.1
93.06990	58.1
95.08530	74.6
97.10087	10.5
98.98386	18.1
105.06973	12.4
107.08541	18.4
109.10109	13.0
110.94728	9.8
119.08488	12.1
121.10101	17.5
131.08586	10.4
135.11679	9.4
149.13182	13.2
163.14761	10.0
249.40274	8.2
261.22107	19.3
304.26398	13.0
313.50851	8.0
322.27148	50.5
335.25879	100.0
335.29486	13.5
404.63147	8.4
415.21854	10.3
458.26376	13.8
476.27148	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	494.3238
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
54.81454	0.4
55.05442	3.1
56.04968	1.7
57.03361	0.7
57.07005	0.7
58.06528	1.9
60.08096	23.2
62.64314	0.3
67.05431	2.7
69.06996	3.2
71.07290	10.1
79.05405	2.0
81.03359	0.4
81.06980	2.8
82.77497	0.4
83.08543	2.5
86.09626	75.5
91.05379	0.4
92.10258	0.9
93.06973	0.7
93.45898	0.4
95.08542	1.8
97.06525	0.4
97.10104	0.4
98.98400	6.2
104.10678	100.0
105.06988	0.5
105.11036	0.5
107.08530	0.9
107.85216	0.4
109.10114	0.9
111.08035	0.6
116.99416	0.4
120.15691	0.4
121.10123	0.8
124.30621	0.4
124.99962	45.1
135.11673	0.6
137.22296	0.4
143.01006	0.5
151.50047	0.4
180.75920	0.4
184.07301	96.4
185.07640	0.7
311.25848	0.5
476.31177	7.5
494.32327	30.0
495.32681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92020	0.1
55.05443	0.7
56.04973	0.3
57.03366	0.2
58.06532	0.3
60.08095	8.8
67.05434	0.7
68.95929	0.1
68.97932	0.1
69.06991	1.2
71.07287	3.9
79.05404	0.3
81.06968	0.7
83.08524	0.5
86.09626	50.5
87.09964	0.3
88.98592	0.1
93.06979	0.3
95.08537	0.7
97.10081	0.2
98.98402	3.9
104.10676	5.2
106.57475	0.1
109.10069	0.2
111.86777	0.1
121.10049	0.2
124.99962	37.8
143.01059	1.0
172.95135	1.0
184.07304	100.0
185.07669	0.9
190.96275	0.7
311.25842	0.2
317.17761	0.2
397.00665	0.2
471.18094	0.8
476.31100	0.9
494.32266	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	494.3239
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
53.95878	0.8
55.05439	2.2
57.07012	1.6
58.06517	1.0
60.08092	22.4
67.05420	2.2
68.86753	0.9
69.06978	4.5
71.07303	9.3
79.85512	1.0
81.06969	1.2
83.08537	1.1
86.09622	73.2
88.40203	0.9
92.10262	2.2
93.06973	1.3
95.08525	1.2
98.98387	5.9
104.10676	95.6
124.99042	2.0
124.99957	46.4
178.82164	1.0
184.07297	100.0
311.25760	1.4
476.31104	5.9
494.32370	32.8
494.39160	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	2.7
56.04960	1.4
57.03358	1.3
57.07010	0.7
58.06533	1.3
60.08093	22.4
67.05427	2.6
69.06987	3.0
71.07285	10.1
76.55600	0.4
79.05405	1.3
80.83606	0.3
81.06960	2.4
83.08532	2.0
86.09625	78.0
89.46640	0.3
93.06954	2.0
95.08534	2.0
97.06474	0.4
97.10114	0.6
98.98393	6.1
104.10677	92.2
105.11102	0.4
107.08559	0.6
109.10065	0.5
111.08057	0.5
117.46452	0.3
121.10081	1.6
124.99963	43.3
135.11646	0.7
139.22375	0.3
143.00990	0.8
153.88365	0.3
163.01527	0.6
176.82037	0.4
181.02605	0.4
184.07301	100.0
220.50256	0.4
311.25772	1.3
312.29990	0.3
430.58942	0.4
476.31403	5.7
494.32297	25.2
495.32538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16357	1.4
54.30514	1.4
54.81011	1.4
55.05442	1.6
56.74081	1.2
57.07015	12.3
58.06525	2.5
58.70045	1.8
69.25852	1.5
70.06506	37.6
70.33751	1.4
72.08067	3.1
74.08999	1.5
79.05406	1.6
84.08065	6.8
85.81194	1.6
86.09601	11.3
89.05957	8.5
95.08504	1.8
102.09146	1.5
114.09123	7.4
121.10094	2.3
132.10197	2.2
134.99564	1.7
176.12793	3.0
179.53445	1.8
184.07297	2.5
212.23711	2.1
230.35310	1.7
238.25226	2.1
256.26407	2.7
267.50986	1.7
279.03802	2.5
300.28928	15.8
335.02795	2.9
344.31476	41.6
388.34152	28.0
415.37061	1.7
432.36319	2.3
494.40442	100.0
495.40320	2.3
513.70935	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	2.3
54.82622	1.9
55.05456	2.6
55.35669	1.6
56.96498	3.8
65.03855	4.1
67.05428	2.3
69.03345	7.8
69.06984	2.1
70.06512	8.8
71.04903	2.3
72.08047	2.4
74.13994	1.9
79.05415	4.1
81.03342	3.3
83.08542	2.1
84.04413	3.3
84.08092	7.2
84.95964	2.1
85.02830	9.9
86.09642	2.1
91.05400	7.7
93.06956	3.0
94.00640	1.9
95.04885	4.0
95.08532	3.6
96.05225	1.8
97.02814	3.7
98.97520	12.7
99.04385	7.3
103.03911	2.7
105.03339	28.4
105.06965	8.3
106.03701	8.9
107.08536	3.5
109.02819	3.1
109.10110	2.6
110.07061	2.1
111.04346	4.3
116.98582	11.3
119.08559	2.4
121.02815	100.0
122.03128	27.7
127.03852	7.3
128.98564	2.5
129.10161	1.8
133.10071	3.2
134.99629	12.5
137.09596	7.3
146.99660	3.5
151.03880	2.8
153.00742	2.2
161.09560	7.8
165.09018	3.1
181.04965	2.3
207.10106	2.5
237.02802	3.6
283.11911	2.8
289.10803	2.3
307.12225	7.7
325.13193	3.1
409.15186	15.0
427.16400	4.2
451.16776	8.4
495.16278	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	1.1
55.18055	0.5
55.37129	0.5
64.39769	0.5
67.05443	1.2
69.03323	0.5
69.06985	1.0
70.06513	6.0
70.48100	0.5
70.84760	0.4
72.08064	1.2
79.05402	0.9
81.03354	0.8
81.06953	0.8
81.36051	0.6
84.04436	1.0
84.08090	2.0
85.02837	3.3
85.06409	0.6
86.09617	0.8
86.99149	0.6
91.05407	3.1
93.06971	1.2
97.06484	0.8
103.30464	0.6
105.06952	4.0
107.08527	1.1
109.06500	1.0
110.07117	2.1
119.01879	1.2
119.08550	3.6
120.08030	1.4
121.10076	0.5
127.03876	2.3
127.17300	0.5
131.08533	0.8
133.10104	5.5
134.10445	1.1
143.01926	0.8
147.11681	2.5
151.11153	2.3
161.03014	0.7
185.04266	0.7
193.12163	1.1
203.05240	2.4
211.13327	2.3
227.05269	0.9
229.12009	8.8
229.14149	1.5
231.13501	2.7
245.06261	7.0
247.12971	3.3
271.04208	1.0
278.98267	0.6
282.21814	0.6
283.26654	0.6
287.03525	4.8
289.05240	63.5
333.44736	0.6
451.19302	4.8
495.18268	100.0
496.18430	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	496.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64551	0.7
53.00226	0.8
53.03882	2.2
55.01822	0.9
55.05444	1.1
56.04959	5.6
56.16520	0.8
56.96487	1.0
57.03372	1.5
58.06521	4.6
59.54116	0.9
62.05993	3.5
67.05411	1.4
69.03352	14.1
69.06981	2.3
70.02885	1.2
70.06510	68.5
71.04913	2.2
72.04422	1.4
74.02334	1.3
75.98178	1.0
81.03339	13.4
83.04930	0.9
83.06008	1.4
84.03943	1.6
84.04425	25.8
84.04921	1.1
84.08067	15.6
85.02836	22.8
86.09624	15.4
87.04381	1.0
88.07583	1.2
91.05398	1.9
97.02819	11.1
98.06001	1.0
98.97522	1.7
99.04386	18.3
99.06776	1.2
100.07558	1.1
101.07086	1.0
102.05478	4.7
103.03873	15.3
107.04875	1.3
109.02843	9.2
110.07104	11.7
112.07535	1.5
112.08720	1.3
115.08686	1.4
116.07045	11.3
116.98550	1.0
120.08058	1.6
126.12753	34.2
127.03892	25.9
129.10207	2.4
130.05008	1.1
130.47531	1.1
130.48651	1.0
136.06146	1.4
136.07622	1.1
144.13818	100.0
145.05020	2.4
172.13255	10.1
181.04951	4.4
187.06012	1.4
190.14345	95.8
191.14577	1.8
201.99696	1.0
212.58134	0.9
214.14375	1.1
235.08371	1.4
309.08487	1.2
460.21671	4.5
496.23788	33.5
497.15921	4.9
497.23770	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07006	0.7
60.08097	10.3
71.07283	3.8
75.09167	0.3
86.09627	48.4
87.09998	0.6
93.72604	0.3
98.98380	4.1
104.10700	3.9
124.99963	38.3
161.43620	0.3
184.07303	100.0
191.11057	0.4
213.77370	0.4
268.17068	0.4
274.63239	0.4
364.08032	0.4
378.39120	0.4
394.82516	0.4
405.38290	0.4
487.54190	0.4
496.33829	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	496.3394
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
56.04960	0.7
57.03355	0.9
57.07001	4.5
58.06519	1.1
60.00880	0.6
60.08094	21.9
71.07278	9.0
71.08543	3.0
85.10060	0.8
86.09623	73.5
87.80353	0.6
91.25420	0.8
95.08524	1.3
98.98392	5.4
99.93874	0.6
104.10673	99.9
124.99953	41.6
143.01025	0.8
158.35683	0.7
184.07295	100.0
211.30519	0.7
212.17654	0.7
239.94159	0.9
240.55231	0.8
313.27402	2.9
478.32867	7.8
496.33890	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	1.3
55.05433	1.2
56.04944	2.2
58.69324	0.9
67.05386	1.4
67.60744	1.2
69.03315	6.0
69.06975	2.0
70.06515	26.8
71.04898	1.5
71.94855	1.1
72.08041	6.1
76.56584	1.2
79.05401	1.4
81.03315	1.8
83.05988	1.2
84.04435	12.1
84.08073	11.0
85.02824	9.0
86.09586	7.4
88.03909	1.2
91.05386	2.8
91.86020	1.1
92.10906	1.6
93.06951	2.4
95.04877	1.6
97.02785	1.3
97.06403	2.1
99.04361	2.2
102.05413	1.1
103.03844	1.3
105.06956	4.3
107.04890	1.8
107.08527	1.5
110.07067	6.7
111.08035	1.4
119.08521	2.0
120.08015	2.8
121.10009	1.6
122.05932	2.0
129.10135	1.4
130.06458	1.4
131.08473	7.1
136.07491	1.9
138.09093	2.3
149.09505	2.8
150.05435	2.0
151.03796	1.8
159.09065	5.2
173.10597	1.9
181.04819	1.2
203.05093	5.7
214.98747	1.1
227.05261	1.1
245.06265	22.1
249.10736	4.5
269.10452	1.2
269.91162	1.4
287.03516	1.9
287.13843	1.4
289.05252	48.3
293.14709	2.1
453.17355	11.5
497.15717	100.0
498.16049	5.9
502.94626	1.2
518.75830	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44776	1.3
53.03883	2.6
54.77430	1.5
55.05442	2.8
56.04976	3.8
61.37724	1.6
67.05425	3.0
69.03342	12.6
69.06973	10.4
70.06506	20.9
71.04916	2.1
72.08049	3.2
79.05390	3.5
81.03329	8.5
81.06961	7.5
81.72440	1.7
83.05999	7.8
84.04424	45.8
84.08065	2.7
85.02824	14.4
85.06440	2.7
86.09595	2.6
87.04353	2.0
91.05399	26.8
93.06972	8.9
95.04888	14.1
95.08549	2.4
97.02805	2.2
97.06460	2.0
99.04368	3.6
103.03865	7.0
103.05414	2.0
105.06922	3.2
107.04853	3.4
107.08508	6.6
109.02828	6.6
109.06469	3.1
109.10098	2.1
110.07102	3.2
111.05541	1.7
118.06493	15.4
119.04892	44.9
119.08493	2.2
120.08094	2.5
121.10114	2.9
123.04382	68.0
125.07061	8.9
126.12719	2.1
127.03860	9.8
130.06493	57.7
132.08054	32.2
133.10080	2.9
135.08006	7.2
135.11691	2.4
136.07545	96.7
137.05923	2.2
137.09560	3.8
139.04988	3.0
142.06494	7.2
144.08055	8.9
145.04884	2.0
146.05978	57.4
147.04407	26.5
149.09554	2.8
149.13153	2.0
153.06583	3.9
158.06020	2.4
159.09155	25.8
159.11589	2.1
163.11130	1.8
165.05438	68.3
169.07544	3.6
170.06030	12.3
173.13159	3.3
180.08095	2.1
181.04936	9.2
182.05582	2.0
182.08086	46.0
184.07545	6.4
187.05966	2.2
187.08545	3.3
188.07033	81.6
191.14255	21.0
195.13791	2.1
198.09212	2.0
200.07010	3.3
201.10146	14.1
202.08600	100.0
205.09650	11.7
213.14835	2.3
225.10118	16.5
237.14287	1.9
246.14760	6.1
247.10666	14.9
248.09097	9.8
252.11287	2.8
253.09746	3.2
270.12302	18.1
271.10599	6.5
298.11856	6.6
307.58463	1.8
316.12827	36.1
433.18903	2.0
453.20383	1.9
479.12973	2.8
479.19199	48.2
480.17300	2.6
497.19888	30.5
523.39185	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84537	2.7
55.05453	3.4
55.89310	3.2
57.07008	52.5
57.25406	3.4
59.31482	3.6
71.08540	18.8
80.85624	3.5
85.10075	19.4
86.09623	6.3
88.30598	3.5
89.05954	100.0
92.10835	6.1
133.08571	25.6
152.06781	4.2
155.28238	3.6
177.11130	7.8
180.28113	3.7
181.04091	3.9
184.07259	6.0
198.61667	4.0
219.56305	4.0
230.33337	4.2
274.15262	3.7
327.20078	10.0
337.56238	4.4
438.12167	4.1
449.52289	4.6
481.37390	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	500.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15544	0.7
50.42698	0.9
51.83720	0.7
53.03875	6.1
55.01796	1.5
55.05456	1.9
57.03361	4.1
58.89679	1.1
61.02853	2.4
67.05402	1.1
69.03346	16.3
70.06501	21.5
71.04916	7.3
71.08530	1.4
72.08067	1.6
73.02821	4.5
74.05958	1.0
79.05392	1.8
81.03336	17.5
81.06972	5.8
83.04885	1.1
84.04426	1.0
84.08070	1.6
85.02825	69.0
85.06485	1.4
86.09622	7.1
87.04406	1.2
91.05396	1.0
93.06975	1.5
95.04887	1.1
97.02821	24.5
99.04382	53.8
103.03873	100.0
104.04204	1.3
107.04890	1.9
109.02835	20.8
109.06470	4.2
110.07138	1.6
117.09061	7.3
127.03872	93.5
127.08604	3.8
137.05981	1.5
139.10083	1.0
141.09071	4.6
145.02925	1.7
145.04933	27.7
151.03947	2.2
155.08113	4.5
163.05951	23.8
177.92810	1.1
187.05956	2.0
187.09615	2.0
193.04898	1.5
194.05351	1.3
194.15935	1.1
207.12764	1.3
208.68008	1.1
271.08041	1.9
289.09027	1.6
307.10083	6.2
321.15381	4.9
345.15298	7.0
429.17273	1.5
470.77576	1.2
500.12167	1.5
500.30420	1.1
501.18588	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	3.0
57.03384	1.6
57.04648	1.5
57.85730	1.7
61.02863	2.2
62.67132	1.5
67.05426	6.0
69.03335	6.5
69.06991	3.3
70.06512	1.8
71.04901	2.9
72.08047	1.6
73.14526	1.4
79.05396	9.3
81.03345	2.8
81.06973	10.6
83.04903	2.0
83.06198	1.4
83.08530	2.3
84.04433	2.9
84.08073	3.7
85.02853	13.9
86.09631	2.3
91.05404	16.5
93.06971	19.0
95.08527	16.9
97.02823	3.3
97.06484	2.3
105.06989	12.1
107.04939	2.1
107.08534	18.5
109.02769	1.7
109.06492	3.0
109.10092	13.8
110.07114	2.5
117.06976	3.8
119.08530	22.5
119.66283	1.5
121.06430	3.4
121.10072	8.8
123.08009	3.4
129.06992	1.8
129.10201	1.8
131.08548	13.0
132.73253	1.6
133.10085	10.9
134.37207	1.6
135.08035	24.7
135.11684	2.8
137.02264	1.7
137.09624	13.7
143.08565	3.9
145.10106	8.7
147.08026	23.0
147.11650	7.7
149.09610	11.1
155.08481	3.2
157.10092	4.0
159.07942	2.4
159.11665	8.3
161.09613	14.1
163.11121	2.6
167.10692	2.0
169.10091	2.9
169.60265	1.6
171.11641	3.4
173.09521	6.2
173.13213	3.1
173.29434	1.8
175.11174	9.5
183.11679	10.7
185.09619	2.5
185.13210	7.4
187.11168	8.8
187.14838	2.6
189.12778	2.2
191.10689	2.1
194.10696	2.0
196.97620	1.6
197.13205	14.1
198.13853	3.1
199.07500	1.8
199.11046	1.8
199.14845	4.1
201.12726	7.1
207.11520	2.3
211.11224	2.7
211.14851	2.7
213.12700	3.3
215.10635	2.6
215.14238	9.4
216.15082	6.9
225.10846	1.7
225.12790	15.5
227.17935	10.9
229.19308	2.4
231.13815	2.3
237.16393	1.8
239.17899	33.2
241.15878	2.3
243.13637	2.0
243.17381	2.3
244.14400	2.4
245.18985	14.3
249.16313	2.5
255.06461	15.5
255.17422	15.1
256.18134	7.2
257.18945	47.3
257.57767	1.8
267.17398	42.2
273.18442	43.5
274.18869	2.1
275.20078	13.4
285.18442	100.0
286.18744	6.7
303.19476	69.6
304.19974	2.9
321.20538	91.7
501.34155	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	501.1389
Annotation	Apigenin 7-(6'-crotonylglucoside)
Peak:m/z	Relative Intensity
53.00250	0.3
53.03890	0.6
53.29249	0.2
55.93077	0.2
61.02870	0.3
65.03879	0.3
67.01801	0.3
68.99697	1.1
69.03349	12.7
70.06512	0.4
74.02528	0.2
81.03343	4.5
84.04446	0.5
84.08072	0.5
85.02821	1.8
86.09632	0.3
87.04340	0.8
91.05403	1.8
97.02824	3.6
99.04386	0.5
107.04875	0.3
109.02808	1.7
119.04875	1.2
121.02786	0.6
123.11325	0.2
126.69746	0.3
127.03881	1.3
129.06992	0.3
131.04903	0.2
131.08615	0.4
141.06932	0.6
145.02872	1.1
147.04404	0.5
149.01294	0.4
149.02333	4.7
153.01804	7.9
159.04398	1.3
159.07942	0.4
160.99510	0.3
165.01768	0.5
169.06448	1.1
173.06009	0.4
184.07277	0.3
187.07535	0.5
197.05945	1.6
213.07523	3.5
215.07002	10.4
225.05415	0.6
243.06477	4.6
253.04878	2.5
271.05951	100.0
272.06241	4.6
299.35461	0.3
522.43463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12207	0.4
55.95600	0.5
56.08765	0.4
64.33369	0.5
69.57221	0.4
70.06506	0.8
92.10956	1.2
99.67298	0.5
116.07112	1.2
129.45732	0.5
281.06766	0.8
488.17657	0.6
501.37549	100.0
502.37698	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	502.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45930	1.0
53.03877	6.1
54.81413	1.3
55.01798	5.3
55.05440	6.4
57.03363	2.5
57.07003	2.8
61.02862	1.7
67.05423	12.6
68.99673	1.4
69.03347	21.7
69.06991	11.8
71.04887	1.7
73.02825	3.0
76.82585	1.2
79.05397	5.7
81.03339	22.1
81.06972	17.1
83.08546	3.0
84.04439	1.5
84.08059	5.2
85.02824	36.0
85.06493	1.5
86.09626	1.7
87.00765	15.9
91.05427	14.6
93.06976	16.4
95.08535	20.0
97.02818	14.3
99.04376	7.1
105.01801	8.0
105.06982	31.5
107.08539	23.7
109.02816	14.0
109.10090	13.9
117.06970	17.2
119.08531	35.6
121.10103	23.3
127.03879	18.9
129.06963	3.2
130.07747	9.8
131.08549	24.4
133.10075	20.0
135.08012	2.0
135.11653	5.2
137.02303	6.1
143.08511	2.5
144.09315	6.8
145.04959	5.2
145.10094	78.4
146.10809	1.8
147.02844	1.3
147.11667	5.9
151.75388	1.3
157.10118	7.1
158.10973	2.3
159.02867	9.2
159.11661	53.0
161.13234	2.4
163.11159	3.0
171.11635	6.6
173.13185	14.6
175.14835	2.2
199.07481	6.1
201.16359	100.0
215.61746	1.3
219.17488	9.4
227.07071	3.2
231.04770	1.6
236.78661	1.3
255.06453	92.8
449.21353	2.0
467.22546	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	502.41
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67738	4.3
52.00637	3.7
53.06121	3.8
55.05445	9.1
57.03360	11.5
57.07011	41.6
58.81889	4.5
67.05424	100.0
71.04881	4.4
71.08540	23.1
81.06956	23.6
83.08524	11.9
85.10103	9.8
85.62778	4.8
88.07590	5.0
93.72099	4.9
95.08524	9.6
96.30069	5.9
103.03948	4.3
104.78011	4.0
109.10094	78.1
173.11707	11.4
229.14250	57.4
255.06480	7.4
268.99146	5.2
313.27328	54.1
467.37085	27.8
502.37616	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	503.12
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
54.81448	0.1
54.85985	0.0
55.01817	0.4
55.02034	0.1
55.65989	0.0
65.03850	0.1
65.50919	0.0
68.99683	0.3
80.65531	0.0
81.03323	0.2
89.03876	0.1
91.05402	1.4
97.86172	0.1
105.03350	0.2
111.04381	0.1
115.05392	0.1
119.04906	0.9
121.02816	0.4
128.06165	0.5
129.06967	0.7
130.98180	0.0
131.04877	0.2
131.08510	0.1
133.02824	0.7
136.91399	0.1
137.02316	7.7
138.02640	0.1
141.06944	0.1
143.08557	0.5
145.02829	1.3
149.02307	0.5
152.06184	0.3
153.06963	1.6
153.08101	0.1
155.03404	0.1
155.08539	0.1
157.06467	1.2
165.06938	0.2
167.03261	0.1
169.06474	0.1
170.99957	0.1
171.07996	1.2
181.06445	2.7
181.08009	0.1
182.07202	0.1
184.05167	0.3
185.05952	0.4
197.05911	0.1
198.06845	0.2
199.07515	12.7
200.07919	0.1
209.05672	0.5
210.06467	0.1
211.07512	0.2
211.78006	0.1
212.04710	0.1
213.05460	0.1
226.06104	0.1
227.06990	5.3
228.07198	0.1
237.05411	2.6
255.06473	100.0
256.06808	2.5
289.34586	0.1
300.58810	0.1
362.21002	0.1
487.01874	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	503.1179
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
51.59805	0.1
51.90187	0.1
55.01797	0.3
64.33488	0.2
65.97391	0.2
68.13044	0.1
72.71617	0.1
76.20942	0.2
91.05378	1.3
105.03310	0.2
109.86222	0.2
119.04884	1.0
121.02778	0.3
127.42224	0.1
129.06972	0.9
133.02849	0.4
137.02307	8.0
143.08531	0.3
145.02821	1.4
149.02379	0.7
152.06212	0.3
153.06985	1.1
157.06441	1.3
158.92877	0.2
169.06479	0.3
171.08026	0.9
181.06401	2.9
185.06052	0.3
197.05933	0.3
199.07510	11.6
209.05913	0.4
209.63712	0.2
227.06989	5.5
237.05382	2.4
255.06456	100.0
256.06879	1.0
349.83548	0.2
447.99652	0.2
459.30280	0.2
503.11633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1185
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
53.03888	1.1
53.41928	0.1
54.81247	0.1
55.01797	0.7
55.39420	0.1
57.03377	1.2
61.02843	0.9
68.33689	0.1
68.99706	1.0
69.03349	5.3
71.01264	0.1
71.04897	0.6
73.02846	0.9
73.33904	0.1
74.05931	0.1
81.03333	4.5
85.02827	6.9
87.00754	2.7
91.04884	0.1
91.05401	0.9
97.02824	2.2
99.04382	1.3
103.03869	0.8
105.01804	0.6
107.08549	0.2
109.02842	2.7
113.10547	0.1
115.05379	0.2
117.01814	0.2
119.04905	0.7
121.02843	0.2
127.03876	3.9
129.01787	0.6
129.06940	0.3
131.04947	0.2
133.02808	0.6
133.10120	0.2
137.02309	6.1
143.08537	0.2
145.02818	1.0
145.04909	0.7
149.02283	0.3
153.06961	0.9
157.06439	0.7
159.02856	0.8
165.06888	0.2
167.08470	0.2
171.08017	1.0
179.10556	0.3
181.06471	2.2
184.05275	0.2
185.06073	0.2
197.11678	0.7
199.07515	9.2
209.05835	0.2
209.15385	0.1
210.06694	0.2
211.07477	0.2
212.40533	0.2
223.07475	0.2
225.05403	0.2
226.06163	0.2
227.06990	4.5
237.05415	3.0
239.06992	0.7
248.22574	0.2
250.06242	0.2
251.06911	0.1
253.04826	0.2
255.06464	100.0
256.06793	2.3
279.06509	1.1
291.06433	0.2
297.07486	2.3
309.07507	0.1
321.07449	0.2
412.77106	0.2
417.11716	1.3
485.10330	0.6
503.11670	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	503.1178
Annotation	Difucol hexa-acetate
Peak:m/z	Relative Intensity
50.07435	0.5
54.08211	0.5
55.01807	1.3
56.04966	1.0
56.57045	0.5
57.03366	1.3
60.03172	0.6
61.02869	1.0
64.33565	0.6
65.03858	0.8
65.30509	0.5
67.05420	0.7
68.02303	0.6
68.99683	0.6
69.03338	1.5
70.06140	1.0
70.06512	27.1
72.08059	2.6
79.05399	1.3
81.03338	2.4
83.06020	0.7
84.04432	12.7
84.08063	6.6
85.02838	7.9
86.09638	4.7
87.00756	2.8
91.05401	4.0
95.01234	0.7
95.04907	0.9
97.02837	1.1
97.25655	0.6
102.05473	1.3
103.03870	1.1
104.10667	0.9
105.01812	0.9
105.03348	4.0
107.04896	6.6
109.02821	1.4
110.07140	6.5
110.07854	0.9
112.08668	1.0
113.07085	0.8
115.08638	1.0
116.07112	0.8
119.04918	5.0
119.08535	1.1
120.08098	1.3
121.00693	0.8
121.02827	5.3
123.04385	1.2
124.99921	0.7
127.03854	1.1
129.01791	1.3
129.10194	2.4
131.04886	2.4
131.08560	0.7
133.02870	1.0
134.03593	1.2
135.04417	1.0
136.07565	0.7
137.02344	1.1
145.02798	6.0
147.04378	3.9
149.02289	4.4
150.03156	0.9
151.03896	2.9
153.06920	0.7
157.06474	0.7
159.04332	0.7
159.11423	0.6
161.02328	4.7
163.03932	0.9
165.06969	3.0
167.03398	9.5
167.08511	2.7
169.06329	0.6
171.08049	0.6
173.02275	0.7
175.03908	2.7
177.05432	0.8
177.06966	2.6
179.03372	8.3
181.04973	1.6
181.06424	2.2
185.09529	0.7
189.05498	1.4
194.07286	1.2
195.04298	1.1
195.07990	8.3
195.11139	0.6
197.05934	1.5
198.06642	0.9
199.07474	1.0
203.03317	0.7
209.11584	0.7
209.93671	0.6
210.06627	0.6
211.07457	2.6
213.09007	2.5
221.06190	0.8
222.06650	1.0
223.07588	12.6
225.05281	0.8
225.08975	1.1
226.06087	1.1
233.05847	1.0
235.07591	0.8
237.02919	0.8
237.08952	2.8
238.59383	0.6
239.07028	12.0
240.07814	5.3
241.08655	6.3
249.05356	0.9
250.06337	1.0
251.07007	6.0
251.10608	2.2
255.06444	12.2
263.06946	1.0
264.07748	0.9
265.08472	1.1
267.06439	45.8
268.07205	26.8
269.07944	3.8
275.06915	0.7
279.06442	17.0
281.08008	7.1
283.08475	0.8
289.08502	1.0
292.07327	3.2
293.07956	4.1
295.05966	2.6
297.07520	100.0
298.07794	3.8
307.09546	9.1
309.07343	1.2
317.07892	1.1
319.09927	0.6
321.07489	20.3
322.07919	0.8
327.08279	0.7
332.74048	0.8
335.09003	2.4
345.07361	3.3
347.09045	1.0
363.08530	10.7
367.10431	1.1
381.09662	4.5
417.11575	1.0
423.10559	3.6
427.12598	3.2
438.62491	0.6
441.11505	1.3
441.17123	3.2
467.09451	6.3
485.10760	7.0
503.11072	9.3
503.17905	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	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07700	0.5
53.03896	0.9
54.54207	0.5
54.69936	0.5
55.01806	2.8
57.03366	2.4
61.02843	3.8
69.03353	10.2
69.06998	0.8
70.06509	1.1
71.04926	0.8
73.02808	0.6
79.05403	3.0
81.03337	4.8
81.06990	1.4
85.02346	0.9
85.02834	19.3
87.04343	0.7
89.38033	0.5
91.05414	6.5
94.04128	4.4
95.08525	0.7
97.02825	7.2
99.04399	0.7
103.05418	5.2
104.06178	0.7
105.06992	5.4
107.04897	0.7
107.08559	2.7
109.02829	2.5
109.06470	4.5
115.05404	5.1
117.06982	1.2
119.04889	1.3
119.08558	4.5
121.10113	1.5
122.03606	10.2
127.03882	1.2
128.06197	3.2
129.06966	2.9
130.67613	0.6
131.04907	4.2
132.05702	4.5
133.06453	3.3
133.10062	4.9
135.08026	1.5
137.02397	4.6
137.05965	100.0
137.09587	3.6
138.06361	0.8
141.07021	1.0
143.04973	0.7
145.06441	0.9
146.03613	1.3
147.04369	4.6
147.08012	5.4
149.05984	1.0
149.09622	0.9
149.13254	0.7
151.03902	3.1
151.11154	5.1
156.05695	1.0
157.06479	1.3
159.08022	2.5
160.05185	4.1
161.05974	7.9
163.07562	5.6
171.07990	1.5
172.05225	0.8
173.13234	1.1
175.07527	33.5
178.07788	0.9
181.06522	1.4
184.05191	2.2
187.07555	6.0
190.07806	2.7
191.08563	7.9
191.14293	3.6
199.07515	15.7
202.07773	5.9
203.08591	8.6
209.15289	3.0
218.07227	3.2
219.08029	14.1
220.08684	1.4
223.34474	0.6
227.06952	2.5
231.08035	10.4
232.08739	2.6
236.08403	1.2
247.07425	5.6
248.08273	4.7
251.10638	12.7
255.06485	69.4
256.06775	2.8
259.07489	5.0
260.08377	1.5
261.08926	0.9
263.10565	3.7
264.07599	1.1
265.08499	1.1
276.07803	2.7
277.08658	3.4
279.10114	7.5
281.07959	1.4
291.10141	7.8
292.10901	2.6
293.07834	0.8
296.10468	0.8
308.10135	0.9
311.12769	14.4
323.12823	10.5
325.48727	0.6
381.90619	0.6
382.48926	0.7
444.07660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44463	0.2
50.82538	0.2
53.03877	0.3
53.76610	0.2
55.01797	0.4
55.05442	1.6
57.03391	0.4
57.07003	0.3
61.33599	0.3
67.05418	1.1
68.99706	0.3
69.03348	5.2
69.06985	2.2
70.06517	0.3
71.04909	0.5
79.05399	3.1
81.03319	0.7
81.06974	6.0
82.41828	0.3
83.04900	1.8
83.08559	0.4
84.08018	0.3
85.02813	3.1
87.04376	0.4
91.05405	4.2
93.06979	2.1
95.08519	0.7
97.02849	1.4
105.06967	5.1
107.04891	1.4
107.08537	16.8
109.02840	1.1
109.06467	5.7
109.10098	4.5
115.05387	1.3
117.06968	1.9
119.04923	1.1
119.08530	2.1
121.06493	0.6
121.10105	10.0
122.07244	3.2
123.08019	1.2
127.03887	1.2
131.08594	2.0
133.02760	0.3
133.10098	80.8
134.10397	0.4
135.08018	12.3
135.11688	0.6
137.02335	6.4
137.09593	54.8
138.09891	0.6
143.08571	0.7
145.02849	1.5
145.10104	0.6
147.11662	1.1
149.02298	0.3
149.13240	11.2
151.03888	5.2
151.04979	0.6
151.11156	0.7
152.04225	1.7
153.06944	1.5
157.06464	1.2
158.10863	0.7
163.14757	1.4
171.08058	0.5
173.13167	3.8
181.06467	2.9
191.14268	25.9
197.11710	2.3
199.07515	10.2
209.05756	0.4
209.15335	14.3
227.07025	4.9
237.05435	1.8
241.88834	0.3
255.06465	100.0
256.06775	6.2
497.44357	0.3
503.11276	0.4
522.36530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01813	0.3
56.04966	0.5
57.03370	0.3
61.02851	0.5
69.03335	1.3
70.06144	0.5
70.06509	10.9
72.08058	0.5
73.02823	0.4
74.05962	0.3
74.16853	0.3
77.03875	0.3
79.05404	1.3
81.03352	0.3
83.06023	0.3
84.04430	2.5
84.08064	2.3
85.02825	1.4
86.09612	1.3
90.76466	0.2
91.05386	0.3
95.04898	1.0
98.05971	0.3
98.97482	0.3
101.07058	0.4
102.05475	0.5
102.91222	0.3
103.03873	1.0
103.05402	1.7
107.04894	100.0
108.05230	1.2
109.02797	0.3
110.07128	1.2
112.08666	0.4
115.08618	0.3
116.07034	4.7
119.08517	0.3
120.08046	3.1
127.03866	0.4
129.10211	1.4
130.04947	0.3
131.04898	3.5
136.12018	0.2
147.04399	0.6
149.09624	0.3
152.10657	0.6
153.43021	0.2
158.02672	0.3
163.07527	1.0
171.04381	0.4
175.03946	0.4
180.10185	1.3
187.03922	0.3
191.01668	0.3
192.13512	0.3
198.11244	0.6
207.06520	0.4
215.03368	1.1
215.87585	0.3
231.02847	2.3
237.05406	0.3
247.07404	0.3
249.09161	0.3
255.02710	0.3
255.06523	1.0
261.03854	5.2
264.07965	0.3
275.06952	0.3
285.03937	1.6
292.07111	0.4
319.05969	1.2
320.06662	1.3
321.07547	0.5
327.04938	1.7
333.07315	0.3
349.06992	7.7
353.06772	0.3
357.07590	0.3
367.08032	13.7
373.06958	0.5
391.08057	1.2
403.07950	0.4
415.08286	0.4
433.09113	1.3
451.10175	1.3
469.11285	0.9
487.12219	15.1
504.74603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	12.4
55.01806	3.8
55.05433	1.8
56.04951	1.4
57.03361	3.0
59.04886	1.3
61.02836	6.9
65.03876	1.3
67.05413	9.3
67.47282	1.3
69.03347	45.3
69.06963	1.9
70.06506	22.3
71.04887	7.7
72.08051	2.5
72.65025	1.4
73.02821	2.8
74.22472	1.6
74.93159	1.3
79.05399	7.3
81.03333	44.0
81.06953	3.3
83.04888	14.5
84.04409	7.9
84.08041	10.6
85.02824	48.7
86.09622	3.2
87.04349	1.8
87.59646	1.3
91.05388	12.3
93.06969	14.7
95.04888	22.9
95.08519	10.1
97.02817	23.6
97.06435	2.5
99.04386	13.5
103.03881	12.2
103.05362	7.8
105.06982	22.2
107.04894	15.6
107.08548	10.8
108.05077	1.5
109.02827	48.3
109.06501	11.1
110.07104	3.5
111.04353	11.4
113.05945	2.9
117.06951	1.6
119.08524	29.6
120.08060	12.5
121.02841	2.4
121.06454	14.6
121.10056	3.0
121.72575	1.5
123.08022	20.4
125.05913	1.6
125.25444	1.5
127.03876	36.3
129.06934	3.0
129.10193	3.6
131.04893	10.5
131.08496	12.4
132.08041	1.9
133.06403	3.1
133.10083	9.0
135.08017	22.9
135.11598	2.0
137.05939	2.7
137.09605	3.0
142.07806	6.1
142.25342	1.8
143.08530	9.0
145.04929	7.2
145.10078	16.1
147.04362	2.0
147.08067	13.1
147.11646	3.0
149.09575	3.0
151.03836	2.5
155.08463	3.0
156.09300	7.1
157.10098	9.3
158.07158	6.4
159.08049	15.5
159.11618	12.8
160.08748	1.6
161.05911	2.2
161.09570	15.8
163.07478	8.4
165.09052	8.8
169.04930	2.3
169.10081	1.9
171.07921	2.6
171.11676	8.6
172.08717	6.5
173.09593	8.5
173.13188	11.4
175.07549	18.7
175.11128	8.6
181.04851	1.8
183.11629	3.5
185.09599	1.6
187.05965	18.5
187.11130	11.1
189.08992	8.5
193.08533	3.5
193.10080	2.2
196.08665	2.3
199.11192	20.1
201.12700	13.4
203.10637	13.3
205.07025	16.0
205.12215	1.9
211.11189	11.6
217.12199	11.0
219.13660	2.6
229.12149	7.5
247.13225	65.2
252.38045	1.6
257.04034	1.8
265.14276	100.0
266.14575	2.4
268.06924	11.2
269.07587	6.5
281.07852	1.8
297.07431	6.4
298.07764	12.7
307.09415	2.3
308.10034	1.9
322.07779	1.7
364.09070	2.0
445.07770	1.7
451.19464	3.3
469.20642	1.8
504.11728	8.2
505.11734	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85703	0.2
51.45323	0.2
53.03887	0.5
53.96731	0.2
54.18030	0.2
54.44086	0.2
55.01797	0.2
57.03365	0.2
65.03854	0.8
68.99709	1.6
69.03359	1.6
81.03340	5.2
81.06965	0.4
85.02837	2.5
87.00750	0.8
87.93475	0.2
90.20321	0.2
90.29466	0.2
91.05403	2.7
93.71547	0.2
95.04890	1.2
97.02808	0.8
99.04397	0.3
99.08006	0.2
103.19997	0.2
105.01811	0.3
107.04905	1.1
109.02821	1.9
109.10108	0.3
109.86061	0.2
111.04393	1.9
117.03320	3.6
119.04895	11.9
123.04385	2.6
127.03864	1.9
135.04355	0.4
137.02315	98.4
138.02681	0.5
141.07011	0.3
147.04387	41.9
153.07034	0.3
155.03366	6.4
159.02863	0.4
163.03874	2.6
165.06960	1.1
169.06398	0.3
171.08058	0.9
183.08040	1.3
187.07513	0.9
197.05988	0.8
211.07503	5.7
215.06998	0.3
229.08557	0.3
239.06944	6.4
242.05704	2.1
247.30635	0.2
256.06818	0.4
257.08026	100.0
258.08423	1.3
419.13177	0.5
433.57706	0.3
505.13141	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	6.1
54.81807	0.6
55.01814	9.4
55.05444	0.7
56.96507	0.5
57.03375	7.7
59.42018	0.5
61.02859	6.3
67.01793	0.5
68.99712	5.0
69.03351	22.6
70.06526	0.6
71.04906	5.0
73.02830	8.0
79.05399	2.1
81.03338	30.6
81.06961	1.1
81.15764	0.6
84.08077	1.1
85.02828	49.9
86.09629	0.9
87.00755	28.8
87.04400	1.0
91.03873	4.2
91.05404	2.7
92.18472	0.6
95.08532	0.8
97.02821	23.6
99.00792	0.6
99.04375	8.9
103.05400	11.0
105.01814	11.0
105.06966	0.7
107.04879	2.6
107.08564	0.8
107.96629	0.6
109.02833	19.9
115.03864	0.6
117.01829	6.4
119.08614	0.5
121.02834	0.7
123.04405	1.2
127.03875	25.1
129.01787	3.5
131.04895	41.8
137.02274	0.7
141.01738	0.5
145.04924	7.3
147.02893	0.7
151.03888	3.3
153.01804	71.4
159.02866	12.5
165.01788	0.5
167.41193	0.5
171.02873	3.7
173.06000	2.1
177.01819	2.3
183.02927	0.9
191.03406	0.9
195.02850	10.2
215.03612	0.6
215.06895	0.5
219.02811	1.3
231.05000	2.4
239.06960	0.7
255.06390	2.8
256.06763	3.1
257.08032	100.0
258.08282	1.3
261.03891	1.3
281.08148	4.1
299.08923	5.5
323.09097	3.3
347.09091	1.3
365.09988	4.3
504.35974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	1.0
55.01812	0.8
56.51611	0.2
57.03357	0.5
61.02854	0.3
66.03696	0.2
67.01789	5.2
68.84377	0.2
68.99696	2.5
69.03351	2.5
70.13816	0.2
73.02808	0.5
79.05389	1.3
81.03334	2.8
81.06972	0.5
83.08521	0.2
85.02833	4.3
86.09612	0.4
87.00742	2.2
91.05400	2.2
93.06963	0.3
95.08537	0.3
97.02835	2.3
99.04392	0.5
103.04732	0.4
103.05398	10.4
105.01779	1.0
105.06950	0.5
107.04894	2.0
107.08558	0.2
109.02836	3.0
109.10151	0.2
109.43829	0.2
110.03129	0.2
111.00743	0.5
123.04382	0.8
124.99939	0.3
125.02335	0.5
127.03859	3.4
129.01802	1.6
131.04890	33.1
132.05222	0.3
144.82474	0.2
145.04941	0.5
145.06471	0.4
147.02876	0.3
151.03870	2.2
153.01801	87.8
154.02121	0.5
159.02835	0.4
171.02847	53.7
172.03239	0.3
173.05914	1.9
179.03375	1.5
184.07260	0.4
191.07059	0.3
215.06999	2.6
231.04861	0.4
239.07008	0.4
244.09724	0.3
255.06393	0.4
256.06790	1.2
257.08023	100.0
258.08383	1.9
272.09274	0.3
299.08978	0.3
309.33337	0.3
453.17648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.7
54.35156	0.1
55.01805	0.6
57.03360	0.2
61.02856	0.2
68.99700	0.6
69.03355	1.9
71.04906	0.6
73.02843	0.5
81.03343	5.4
85.02346	0.2
85.02837	4.1
87.00768	1.9
91.05406	0.7
94.25565	0.1
95.49595	0.1
96.02042	0.2
97.02851	1.3
99.04395	0.9
105.01820	0.8
107.04880	0.2
109.02840	2.0
109.45559	0.1
117.01754	0.2
117.03351	0.9
119.04912	2.1
123.04381	0.2
126.82207	0.1
127.03893	2.6
129.01874	0.2
135.04341	0.2
137.02325	100.0
138.02650	1.1
145.02812	0.5
145.04967	0.9
147.03217	0.3
147.04393	6.8
155.03387	0.2
159.02876	0.7
163.03877	0.7
177.05391	0.3
181.25595	0.1
199.07510	0.3
211.07562	0.9
213.03806	0.1
234.43681	0.1
239.07059	1.1
242.05753	0.5
255.06477	2.3
256.06790	2.3
257.08063	16.8
299.08856	0.1
422.66827	0.2
469.34573	0.2
505.49316	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	505.309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79315	0.8
57.07014	12.1
63.03090	0.8
69.22685	0.8
72.62244	1.0
72.63985	1.0
90.38590	0.8
91.05401	4.7
92.10230	1.4
93.06979	2.0
97.37281	0.9
105.06965	10.4
106.35635	1.1
107.08520	2.3
109.29720	1.0
119.08537	13.8
121.06441	5.6
121.10091	29.4
133.06502	1.3
133.10094	19.3
145.10118	1.2
147.08012	1.3
147.11647	24.0
157.10078	1.7
160.08751	1.5
163.11148	1.3
175.11168	16.2
184.07253	1.1
280.01749	1.2
283.16843	100.0
284.17236	1.7
296.69476	1.0
302.90283	1.0
339.23099	52.2
378.50986	1.0
385.84528	1.0
387.98117	1.0
419.95358	1.0
504.33493	1.9
505.33350	3.9
530.49365	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49128	0.5
55.01794	0.9
56.04964	0.8
60.02881	0.6
61.60811	0.6
70.06509	18.1
72.08062	2.8
74.09634	6.7
75.97793	0.7
79.05413	0.7
83.93154	0.6
84.04425	8.9
84.08048	3.1
85.02827	1.1
86.09618	2.3
86.65496	0.6
91.05403	18.9
99.04397	1.2
102.05435	1.4
102.97766	0.5
106.06494	1.4
107.04899	9.0
110.07101	3.4
112.08656	0.7
115.08598	0.7
116.07033	0.9
117.03348	0.8
117.05717	0.8
118.06478	10.1
118.08566	0.5
119.04911	16.0
119.07272	100.0
120.04401	0.8
120.05704	0.8
120.08139	4.3
121.06458	2.6
122.05978	3.7
123.04394	0.8
127.03905	4.0
129.10188	0.8
130.06438	4.0
130.34200	0.5
134.05975	26.1
135.06767	17.4
136.07552	35.5
145.02798	2.3
146.05968	15.1
147.04387	19.1
147.06677	1.1
147.09196	1.0
150.05473	5.8
157.49829	0.6
160.07545	3.9
162.05472	4.6
165.07010	0.5
176.07008	4.8
177.05400	0.9
179.08598	1.2
184.62852	0.5
189.06953	0.8
206.09671	0.6
207.08000	3.7
208.08804	1.4
209.09430	1.0
210.06682	1.3
211.07336	0.6
217.06439	0.9
223.07475	2.1
224.10634	0.8
225.08942	1.9
234.09065	0.6
235.07552	3.6
237.09067	2.2
237.11316	0.8
238.08583	0.9
240.10133	2.9
241.08484	0.9
252.07713	0.9
252.10115	14.1
253.10635	1.0
254.11693	19.3
256.09613	6.7
264.10092	1.0
266.94464	0.6
269.12781	39.8
270.11182	2.9
279.11517	0.9
280.09592	3.5
286.10574	2.7
298.10678	8.0
309.09576	1.0
315.13321	55.9
316.13528	1.1
325.11734	0.7
372.16013	0.8
432.19232	0.9
433.17273	3.2
443.15958	1.0
461.17059	8.2
478.19699	15.8
489.16364	7.7
506.19043	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	506.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	2.7
60.00447	0.5
60.08096	10.2
67.05441	5.6
69.06979	3.0
71.07300	5.0
79.05395	3.0
81.06985	4.9
86.09628	53.1
91.05394	1.0
93.06944	3.2
95.08530	3.4
98.98396	8.9
104.10685	11.5
105.06900	0.7
107.08528	2.6
119.08544	1.1
121.10112	1.1
123.11620	0.6
124.99027	1.3
124.99959	36.6
145.38837	0.6
148.85269	0.6
155.01120	0.7
173.02159	0.6
184.07301	100.0
185.07623	0.8
261.90906	0.8
335.25577	5.3
361.71506	0.7
438.31851	0.6
447.18646	0.8
506.25900	1.1
506.32187	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	506.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	2.2
56.04971	1.6
57.03360	0.7
58.06546	1.4
60.08098	22.8
67.05429	6.3
69.07012	2.1
70.63374	0.2
71.07289	10.2
76.02094	0.3
78.38268	0.3
79.05406	1.9
81.06968	4.8
83.08554	0.6
83.17023	0.3
84.04391	0.3
86.09630	75.5
87.10001	0.7
90.05477	0.4
91.05396	0.7
93.06979	1.7
95.08546	3.3
97.06499	0.4
98.98407	5.1
104.10683	94.1
105.06984	0.4
105.11021	0.5
107.08491	0.5
109.10104	1.5
121.10049	0.4
124.99968	47.1
143.01042	0.5
163.01505	1.2
184.07312	100.0
185.07594	1.3
194.24753	0.3
220.16447	0.3
222.26201	0.3
246.76437	0.3
258.10925	0.3
323.25772	0.6
375.78281	0.3
488.31299	5.9
506.32355	26.4
507.32458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02314	0.1
52.03106	0.1
53.00240	0.2
53.03891	1.2
55.01807	1.4
55.05443	0.3
57.03366	0.2
62.38417	0.1
64.66759	0.1
65.03530	0.2
65.03863	3.3
67.05430	3.8
68.99683	0.1
69.03339	0.2
69.06984	0.1
70.06497	0.5
71.01278	0.1
71.04898	0.1
72.08077	0.2
77.03839	0.3
79.05396	0.8
80.02543	0.1
81.03315	0.2
81.06960	0.6
83.01248	0.1
83.06068	0.1
83.50986	0.1
84.04425	0.7
84.08060	0.6
85.02810	1.1
85.06472	0.2
86.09628	0.8
90.05500	0.2
91.05374	0.3
93.03312	0.2
93.06969	0.5
95.01289	0.2
95.04890	5.4
95.08525	0.9
97.02835	0.2
99.04362	0.5
103.79447	0.1
105.03333	19.4
105.04479	0.7
105.06995	0.3
106.03732	0.2
107.04906	3.1
107.08512	0.2
108.02038	4.3
109.02825	1.2
109.06535	0.1
109.10104	0.6
110.07088	0.2
110.12149	0.2
111.04403	1.6
112.01520	0.5
119.08540	0.2
121.02826	0.7
121.03949	0.3
121.10104	0.3
123.04350	1.0
126.57938	0.1
127.03876	0.1
129.01790	0.1
129.10213	0.3
131.08528	0.2
133.10155	0.5
136.01543	0.8
136.07492	0.2
137.05960	0.3
141.05443	7.3
145.02855	0.3
147.04388	0.2
147.11734	0.2
149.51831	0.1
151.03886	100.0
151.04996	11.7
152.04233	2.0
161.09610	0.5
165.01790	0.2
169.04936	0.2
177.05432	0.5
187.80234	0.1
201.14401	0.1
205.15948	0.2
241.17963	0.2
251.05551	0.2
257.04401	0.2
271.06049	0.5
273.44266	0.1
276.64929	0.1
279.04834	0.2
321.06027	0.9
392.45474	0.1
451.20941	0.2
507.21692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67508	0.7
53.03880	5.3
55.01809	4.4
55.05454	1.6
56.04982	1.5
57.03364	1.5
61.02852	3.4
65.03858	1.4
66.33787	0.7
67.05426	2.0
68.99716	1.9
69.03351	14.5
70.06509	65.4
71.04911	2.0
72.08049	3.1
73.02823	4.3
79.05407	4.7
81.03340	19.5
81.06979	3.0
84.04429	9.5
84.08058	13.9
85.02827	32.5
86.09631	4.0
87.00763	14.1
91.05406	100.0
92.10901	1.5
93.06979	2.0
95.04884	1.2
95.08529	0.9
97.02824	11.8
98.06003	1.1
99.04381	5.5
102.05473	1.4
103.05403	80.7
105.01806	6.7
105.03332	1.9
105.06953	1.7
107.04890	27.2
109.02826	14.4
109.10105	1.5
110.07115	1.8
110.81821	0.8
111.04391	21.6
112.08695	0.8
115.08677	0.9
116.07057	6.0
117.01791	1.1
119.04868	1.6
119.08522	0.8
120.08058	34.2
121.02847	2.0
121.06464	4.6
127.03881	21.0
127.88023	0.9
129.01782	1.7
129.10194	4.3
131.04889	39.8
133.10072	1.0
135.04387	43.6
136.07539	3.4
137.02310	73.0
138.02705	0.8
141.06902	1.0
145.04910	6.7
147.02875	1.2
147.04364	1.1
149.09575	0.8
151.03880	1.4
152.06187	3.8
153.06924	1.2
155.03374	1.0
159.02866	10.4
163.03806	1.8
165.06958	1.9
167.08530	18.1
177.05626	0.8
177.06906	6.9
181.06451	3.7
183.08011	0.8
184.07463	0.9
195.08022	29.6
213.09064	55.4
217.13333	9.5
223.07504	53.4
231.04871	1.7
241.08562	33.5
245.12830	7.5
257.07895	1.2
259.09619	30.9
263.13788	4.0
293.14655	1.7
335.23056	0.9
392.19467	4.2
507.25656	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	507.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	0.6
55.01813	1.0
55.05437	0.5
56.04966	0.3
57.03366	0.3
60.98667	0.2
61.02847	1.1
65.76116	0.2
67.05415	1.3
68.99699	1.4
69.03335	0.6
69.06981	0.3
70.06508	2.5
71.04910	1.0
72.08058	0.5
73.02811	0.4
76.02153	0.3
78.59731	0.2
78.80148	0.2
79.05403	2.0
81.03319	0.5
81.06964	1.8
81.77813	0.2
84.03711	0.2
84.04406	1.0
84.08057	1.6
84.55167	0.2
85.02827	4.9
86.05983	0.3
86.09624	2.5
87.00749	1.8
90.05476	0.4
91.05400	1.8
92.10236	0.4
93.06964	1.1
95.04889	2.9
95.08541	1.0
97.02840	0.4
97.10059	0.3
98.06007	0.3
98.97504	0.2
99.54192	0.2
103.03861	1.5
103.05363	0.3
105.03323	3.7
105.04424	0.4
105.06925	0.4
107.04892	100.0
108.02090	0.2
108.05226	0.6
109.02811	0.5
109.06455	0.4
109.10069	0.3
110.07086	0.3
111.04420	0.3
116.98605	0.6
117.03331	0.6
117.06962	0.3
119.08516	0.3
120.08044	1.5
121.06458	0.3
121.08292	0.2
121.10094	0.4
123.08024	0.9
127.03902	0.3
129.01775	1.0
129.10231	1.1
131.04903	1.2
131.08504	0.4
135.04404	1.0
135.07980	0.3
135.11621	0.3
137.05914	0.3
141.05428	0.4
145.02827	2.0
147.02869	0.4
147.04359	0.9
147.11668	0.3
149.05946	1.1
151.03886	12.0
151.05031	1.6
153.01794	0.3
157.09853	0.3
158.02701	0.4
165.01778	0.9
165.05421	2.5
171.02716	0.2
173.05960	0.9
177.05418	6.7
189.03810	0.3
189.05455	0.9
191.07027	1.4
195.06462	5.3
195.08055	0.4
201.05449	1.0
211.13164	0.3
215.07028	1.3
219.01588	0.4
219.06471	2.5
223.16862	0.4
237.02783	0.4
243.06468	3.3
261.07483	2.6
265.08600	0.3
267.98312	0.3
271.05933	6.9
271.08685	0.4
272.06293	0.4
283.09479	2.4
291.19501	0.6
301.10623	8.9
307.12238	0.5
309.20212	0.4
325.10593	3.5
345.22797	0.4
349.10574	2.3
359.16254	0.3
367.11627	4.9
409.15244	1.0
451.15814	0.3
453.11304	0.2
484.92709	0.3
497.38925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55915	0.1
56.41901	0.1
64.38850	0.1
68.43021	0.1
79.05411	0.5
85.02812	0.2
91.05384	0.3
93.06979	0.9
93.26535	0.1
95.04882	0.2
103.05401	5.1
107.04885	1.6
120.08056	100.0
121.08414	1.9
131.04922	2.3
145.04860	0.2
149.05965	1.9
162.96776	0.2
166.08595	26.6
167.08949	0.3
169.81905	0.2
260.23734	0.1
289.12714	0.2
371.74142	0.2
380.77872	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	508.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	12.1
55.01815	14.4
55.05446	32.6
56.09784	1.9
57.03365	11.9
57.07000	9.2
61.02862	11.3
62.88895	2.1
64.33498	2.1
67.05428	34.1
68.99709	3.7
69.03348	61.0
69.06984	48.2
71.04897	11.7
73.02817	8.5
79.05404	13.1
81.03327	38.6
81.06972	58.7
83.04878	5.0
83.08535	27.7
85.02824	100.0
85.06448	3.3
87.00755	38.2
87.04388	8.9
91.05418	22.2
93.06988	19.3
95.04900	3.6
95.08531	53.1
97.02811	37.0
97.06438	4.6
97.10093	21.9
99.04382	15.2
103.03887	2.9
105.01820	26.1
105.06978	21.7
107.08540	16.7
109.02843	35.1
109.06448	2.6
109.10104	34.9
111.04417	3.1
111.11629	3.1
115.03889	5.2
119.08522	26.5
121.10094	13.1
123.08020	9.6
123.11658	18.7
127.03872	54.5
129.01808	3.2
133.10109	31.7
135.11610	3.4
137.09583	3.8
143.03413	2.4
145.04968	8.6
147.11693	16.7
149.02335	14.7
149.13264	3.8
151.11169	4.2
159.02837	8.8
160.79161	2.2
161.13260	3.6
163.14799	4.5
165.12723	2.8
165.16322	10.3
173.05780	2.2
184.07349	3.3
189.16331	44.2
193.04955	16.3
205.07037	2.8
207.17438	54.9
223.36937	2.0
225.18462	39.3
231.05026	3.4
237.07693	3.6
255.06435	9.6
326.46295	2.2
375.85132	2.2
385.09265	2.5
429.11789	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	3.3
56.04968	2.1
57.03375	0.6
57.07010	1.7
58.06521	1.0
60.08094	24.2
65.27524	0.4
67.05423	2.4
68.19449	0.3
69.06988	4.1
71.07287	9.4
71.08542	0.4
79.05402	0.9
80.89365	0.4
81.06961	1.9
83.08526	2.0
85.43721	0.4
86.09626	72.7
93.06999	0.7
95.08533	1.8
97.10117	0.5
98.98399	6.6
104.10678	100.0
105.11047	0.5
121.10069	0.3
121.32078	0.4
124.99963	45.8
125.81670	0.4
143.01021	0.7
163.01558	0.4
176.99214	1.0
184.07301	91.5
185.07706	0.6
195.00325	0.9
205.12810	0.4
282.77292	0.5
314.27853	0.5
325.27399	1.5
490.32773	5.8
507.27191	0.7
508.27103	3.5
508.33875	28.2
508.41113	1.6
509.33829	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	4.6
56.04972	2.6
57.06993	2.0
60.08092	18.0
67.05421	0.4
69.06992	3.6
71.07289	11.4
71.08542	0.8
81.06972	0.4
83.08529	2.2
83.13433	0.4
86.09623	100.0
87.04465	0.3
87.14429	0.4
97.10126	1.5
98.98389	8.4
99.84213	0.3
104.10664	6.9
107.18616	0.4
124.99956	62.5
143.01013	1.7
184.07292	79.7
234.02617	0.3
449.32571	0.4
452.10825	0.4
490.40277	2.7
508.41129	64.2
509.41602	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	509.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55357	0.4
61.54607	0.3
62.26426	0.4
65.95410	0.3
70.06511	0.9
75.81059	0.4
76.22080	0.4
85.02808	0.5
91.05398	0.8
106.67606	0.4
115.05438	0.7
116.04925	1.6
117.06940	0.6
118.05656	0.7
118.06496	22.3
119.06799	0.5
130.06482	2.8
132.08057	7.4
142.06500	2.7
143.07272	2.2
144.04456	1.8
144.08066	17.0
146.05988	84.8
147.04433	0.8
147.06316	2.4
159.09137	8.2
160.07571	0.7
170.05959	5.9
172.03897	1.8
187.08582	0.8
188.07028	100.0
189.07401	4.5
190.04935	0.7
205.09700	24.6
206.10039	0.6
246.85439	0.5
261.05426	0.4
272.50772	0.5
273.94147	0.4
305.07544	1.8
347.13193	0.5
399.47818	0.5
442.05576	0.5
509.17978	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	510.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39817	2.6
51.10257	3.5
53.03881	3.9
54.21123	2.4
54.81541	3.1
55.01804	7.8
55.05465	4.2
56.04971	3.2
57.03384	2.9
63.27703	2.8
65.03861	5.5
67.05431	5.4
69.03336	4.9
70.06520	49.6
72.08070	5.6
75.29964	3.1
79.05405	26.5
81.03331	4.7
81.06979	6.3
81.91557	3.4
83.04866	3.1
84.04438	32.7
84.08067	18.5
85.02829	19.2
86.05959	2.9
86.09624	13.1
88.14029	3.7
89.03820	3.6
91.05405	94.3
93.03330	15.4
93.06971	16.4
95.04885	23.1
97.02812	5.1
99.04398	7.2
102.05492	7.3
103.03861	6.8
103.05396	27.7
105.03333	18.8
105.06969	20.9
106.04127	42.5
107.04908	39.8
109.02838	4.3
109.06467	21.7
109.10104	21.3
110.07090	7.7
115.05412	4.6
119.04080	4.5
119.04898	100.0
119.08504	7.8
120.08094	16.6
121.06464	44.9
123.08025	6.5
124.29443	3.1
125.05920	15.7
127.03902	6.5
127.41409	3.1
128.06163	5.4
129.06946	5.4
131.04887	28.5
132.05661	14.7
133.06470	6.4
133.10124	5.0
133.75822	3.4
134.03621	7.9
135.04420	4.7
137.05956	15.1
137.09593	37.1
143.08536	6.9
145.02844	3.4
147.04387	18.1
147.08037	21.5
148.05154	5.6
149.05969	71.8
151.07541	41.8
153.09064	13.1
159.08008	16.1
159.39240	3.3
161.05951	75.5
161.09581	70.6
162.06665	6.3
163.07463	5.5
165.05406	13.0
165.09091	32.1
166.06206	3.4
167.06998	70.9
174.32281	3.3
175.07507	19.4
177.05429	33.8
179.06973	16.5
180.07756	18.2
181.08553	22.7
182.09401	4.7
187.07512	13.1
189.09294	3.0
190.06186	6.4
191.06973	16.9
192.07809	6.2
205.08560	40.1
207.10143	20.5
209.08031	85.4
223.04213	6.3
225.11238	14.6
235.09596	6.2
255.06407	18.9
280.70804	3.3
291.03891	5.1
339.12436	5.0
353.49429	3.7
371.14886	4.1
523.10541	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	510.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	4.1
55.01801	5.1
55.05436	4.1
55.72280	0.7
55.97267	0.6
56.21430	0.7
57.03350	1.6
59.86408	0.6
60.04434	1.0
61.02839	0.9
65.03851	5.4
67.05421	4.0
68.42338	0.8
69.03337	3.2
70.06501	16.0
71.04888	3.4
72.08041	1.1
73.32276	0.8
75.04401	6.4
77.47308	0.7
78.04635	1.8
79.05411	7.3
81.03329	1.7
81.06959	1.8
83.04890	1.2
83.08541	1.2
84.04413	4.8
84.08053	4.7
85.02843	8.9
86.09623	1.8
89.03852	1.8
91.05405	30.3
93.03333	18.2
93.06967	11.6
95.04880	12.8
95.08504	1.6
97.02809	1.8
97.06470	7.3
98.78058	0.8
99.04380	4.0
100.11214	5.6
103.03863	1.0
103.05386	12.6
105.03331	1.0
105.06992	6.0
106.04115	55.1
107.04935	8.5
107.08502	1.6
109.02858	1.3
109.06443	4.1
109.10107	8.9
110.07127	1.6
111.04388	3.8
111.08041	1.4
112.91762	0.7
117.03357	0.9
117.46190	0.9
119.04904	10.3
119.08527	5.8
120.08038	4.0
121.06458	56.5
121.10117	1.3
122.03610	1.0
123.04349	1.8
123.08000	1.6
124.05175	1.6
125.05953	17.7
127.03897	3.2
129.06979	0.8
129.10147	1.7
131.04903	3.8
131.08559	0.9
133.02759	1.3
133.06386	1.5
133.10077	5.9
134.03593	10.3
135.04338	1.7
135.08017	1.3
137.05960	18.0
137.09586	12.1
138.06709	0.9
139.07483	5.2
140.10632	1.2
143.08542	3.0
145.02817	3.5
147.04388	9.1
147.07994	4.7
148.05156	5.2
149.05949	81.5
151.07497	4.6
152.08302	1.1
153.05447	3.5
153.09087	21.4
159.07919	1.5
161.09575	19.2
162.09868	1.2
163.07483	4.7
165.05453	0.9
165.09062	13.2
166.06194	1.6
171.08003	0.9
177.05421	30.4
179.07019	1.1
179.10568	1.8
181.04904	1.2
181.08546	27.0
189.09035	4.5
191.06998	4.3
193.03145	11.3
207.10092	6.8
209.08052	100.0
210.08325	1.4
210.14780	1.3
225.11201	3.2
271.05875	3.8
273.06268	0.9
281.13684	1.1
328.87061	1.1
339.12085	0.9
510.40140	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	4.1
55.01801	5.1
55.05436	4.1
55.72280	0.7
55.97267	0.6
56.21430	0.7
57.03350	1.6
59.86408	0.6
60.04434	1.0
61.02839	0.9
65.03851	5.4
67.05421	4.0
68.42338	0.8
69.03337	3.2
70.06501	16.0
71.04888	3.4
72.08041	1.1
73.32276	0.8
75.04401	6.4
77.47308	0.7
78.04635	1.8
79.05411	7.3
81.03329	1.7
81.06959	1.8
83.04890	1.2
83.08541	1.2
84.04413	4.8
84.08053	4.7
85.02843	8.9
86.09623	1.8
89.03852	1.8
91.05405	30.3
93.03333	18.2
93.06967	11.6
95.04880	12.8
95.08504	1.6
97.02809	1.8
97.06470	7.3
98.78058	0.8
99.04380	4.0
100.11214	5.6
103.03863	1.0
103.05386	12.6
105.03331	1.0
105.06992	6.0
106.04115	55.1
107.04935	8.5
107.08502	1.6
109.02858	1.3
109.06443	4.1
109.10107	8.9
110.07127	1.6
111.04388	3.8
111.08041	1.4
112.91762	0.7
117.03357	0.9
117.46190	0.9
119.04904	10.3
119.08527	5.8
120.08038	4.0
121.06458	56.5
121.10117	1.3
122.03610	1.0
123.04349	1.8
123.08000	1.6
124.05175	1.6
125.05953	17.7
127.03897	3.2
129.06979	0.8
129.10147	1.7
131.04903	3.8
131.08559	0.9
133.02759	1.3
133.06386	1.5
133.10077	5.9
134.03593	10.3
135.04338	1.7
135.08017	1.3
137.05960	18.0
137.09586	12.1
138.06709	0.9
139.07483	5.2
140.10632	1.2
143.08542	3.0
145.02817	3.5
147.04388	9.1
147.07994	4.7
148.05156	5.2
149.05949	81.5
151.07497	4.6
152.08302	1.1
153.05447	3.5
153.09087	21.4
159.07919	1.5
161.09575	19.2
162.09868	1.2
163.07483	4.7
165.05453	0.9
165.09062	13.2
166.06194	1.6
171.08003	0.9
177.05421	30.4
179.07019	1.1
179.10568	1.8
181.04904	1.2
181.08546	27.0
189.09035	4.5
191.06998	4.3
193.03145	11.3
207.10092	6.8
209.08052	100.0
210.08325	1.4
210.14780	1.3
225.11201	3.2
271.05875	3.8
273.06268	0.9
281.13684	1.1
328.87061	1.1
339.12085	0.9
510.40140	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78522	0.2
50.91114	0.2
52.72596	0.2
53.03891	1.7
55.01810	1.9
55.05450	3.7
57.03379	0.6
63.45645	0.3
65.03871	1.2
67.05422	7.3
68.99734	0.3
69.03345	3.9
69.06994	1.2
70.06510	1.4
71.01293	0.4
71.04914	2.5
73.02837	1.3
75.04403	1.2
79.05407	14.0
79.62769	0.3
80.46167	0.3
81.03344	0.4
81.06973	4.1
83.01277	0.3
83.04897	4.0
84.04426	0.5
84.08088	0.3
85.02827	5.7
91.05402	9.7
93.03345	2.0
93.06980	4.5
95.01258	2.7
95.04893	9.1
95.08524	3.4
97.02861	0.3
97.06448	2.9
99.04385	3.3
103.03900	0.6
103.05402	1.2
105.06972	10.5
106.04108	5.7
107.04895	25.7
107.08541	3.0
109.02815	0.4
109.06463	4.2
109.10101	39.7
110.07175	0.4
110.10428	1.4
111.04382	2.2
113.02251	1.0
117.06984	1.6
119.04173	0.3
119.04882	2.2
119.08533	10.1
121.06447	9.2
121.10096	0.4
123.04388	1.4
123.08036	1.3
123.11703	0.3
125.05970	3.2
127.03854	0.3
128.06181	6.0
129.06953	3.5
131.08495	0.5
132.05679	0.3
133.06447	1.4
133.10091	11.3
134.03609	1.1
135.04442	0.3
135.08026	1.5
137.06004	2.3
137.09589	57.3
138.06731	0.3
138.09953	1.0
141.01797	3.9
143.06949	0.6
143.08536	16.9
144.07587	0.3
144.08850	0.4
145.02899	0.4
145.04921	0.4
145.06444	0.7
145.10088	1.8
146.07220	3.2
147.04393	0.7
147.08017	21.7
149.05963	9.0
151.11185	0.4
153.09073	2.4
155.98570	0.3
159.07973	1.3
161.09578	100.0
162.09906	3.2
163.07516	0.4
163.11143	1.8
165.09068	51.2
166.09424	1.4
171.08012	1.6
174.06689	1.4
177.05409	3.8
179.10616	7.3
181.08585	3.1
189.09062	8.6
193.03175	1.2
197.11678	1.6
205.23659	0.3
207.10129	29.9
208.10461	0.5
209.08051	12.0
225.11166	20.9
226.11508	1.1
243.12485	0.3
299.14761	2.9
305.28482	0.4
317.15845	3.2
401.14310	4.3
475.17630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	3.2
56.04964	1.6
56.42502	1.2
57.03386	1.4
60.04449	1.7
67.05424	8.7
69.03351	3.3
69.06983	2.5
70.06500	12.2
72.08055	1.6
78.80898	1.6
79.05402	6.2
81.03298	2.3
81.06949	7.7
84.04411	9.1
84.08078	12.2
85.02827	6.4
86.09619	1.8
87.00762	1.5
91.05396	8.5
92.05746	1.4
93.06950	3.5
94.06504	3.3
95.08531	3.6
107.08527	2.0
109.02813	2.4
109.06473	1.7
109.10126	3.1
110.07104	3.4
110.97468	1.7
116.04958	2.4
119.08545	2.3
120.04421	2.0
120.08045	6.7
123.11646	1.9
124.07540	38.1
127.03870	2.2
129.10190	3.2
144.04420	2.6
146.05988	8.7
147.06749	1.6
148.07587	1.7
162.05530	1.7
172.03911	12.9
174.05455	8.8
179.63058	1.5
190.04947	8.2
191.05759	2.3
204.06552	12.8
206.08075	2.5
209.10721	3.6
211.12241	2.3
212.09358	2.8
214.05031	1.7
222.07751	1.7
222.11366	2.4
223.12236	3.3
224.09383	2.2
225.10176	20.2
234.08969	3.0
235.08571	7.2
236.09352	15.5
237.02541	1.7
237.10162	44.4
238.10901	1.9
239.11736	8.0
239.71684	1.6
249.10197	11.4
250.07234	1.8
250.10902	8.6
251.07988	2.7
251.11736	47.2
252.08868	6.4
252.12430	2.5
253.09642	14.3
253.15704	1.7
255.11220	6.0
263.13837	2.2
264.08920	2.2
265.09659	55.2
266.10318	11.1
267.11218	33.6
269.12878	3.8
278.06470	3.1
279.11215	50.6
280.08408	2.0
280.11871	6.9
281.12686	3.4
283.10693	6.6
285.12250	2.8
293.09079	38.4
294.09851	9.8
295.10684	31.7
297.12219	20.5
307.10583	14.3
309.12347	10.2
309.98587	1.7
311.10245	6.6
312.10916	3.8
313.11792	16.1
315.13220	2.5
325.11780	50.1
326.12323	6.0
329.14682	2.7
335.10211	27.8
352.02304	1.5
353.11252	100.0
354.11871	8.0
385.13895	7.7
424.80270	1.7
450.20331	2.8
470.89108	1.7
472.05563	1.6
478.19647	51.7
479.20059	2.6
510.22662	2.2
517.17157	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00992	0.6
50.58939	0.6
67.05422	1.0
69.03352	1.0
69.06990	1.6
70.06507	4.1
76.57461	0.8
81.06966	1.2
81.16973	1.0
84.04433	1.7
84.08063	1.4
85.02824	3.1
86.09618	1.0
93.06981	1.0
103.03823	0.8
105.06982	0.9
119.04938	0.8
121.10043	1.1
122.06002	3.0
123.06322	0.8
129.10161	0.8
136.07524	1.8
140.07018	1.1
145.02823	0.8
147.04396	1.0
223.12222	5.4
224.12863	0.9
235.08574	3.1
235.12231	1.6
236.09465	1.3
236.12964	1.6
237.10196	81.1
237.13640	5.7
238.10785	3.6
239.11598	0.8
239.15422	0.8
249.10229	14.6
250.08815	0.8
250.10919	7.6
251.11749	38.9
252.12271	3.6
252.15019	0.9
263.09061	1.3
263.11746	18.6
264.09872	0.8
264.12485	8.5
265.09671	100.0
265.13260	35.2
266.10065	4.9
266.13889	1.9
267.11398	1.2
268.11911	1.5
277.09717	3.2
278.10519	4.3
279.11221	30.1
280.11771	0.9
281.12946	1.0
282.13596	3.2
283.14438	8.6
291.11200	9.5
292.12103	1.8
293.12851	16.6
294.13632	1.8
295.10699	3.7
296.11502	1.7
297.12286	42.5
309.12292	23.0
309.95853	0.8
310.13049	16.7
311.13879	23.1
312.14160	1.0
319.10648	8.6
320.11334	3.8
325.15457	1.0
337.11777	39.2
338.12595	22.0
339.13040	1.3
352.13940	1.7
369.14417	42.4
370.15161	68.7
371.15527	5.0
478.19675	12.3
510.22336	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05402	3.1
70.06516	12.0
70.23172	2.4
84.08059	9.6
85.02824	6.1
91.05381	3.3
99.04389	5.1
103.03873	6.1
109.10109	4.3
110.07095	3.9
118.38432	2.5
122.06030	3.2
127.03895	5.8
128.31364	2.5
129.10204	2.5
136.07507	4.9
146.09628	3.2
146.30888	2.5
150.29608	2.5
164.07051	4.1
179.07132	3.2
196.10300	2.5
222.11497	4.1
235.12279	4.1
237.10156	17.1
237.13727	5.4
248.09402	6.2
249.10249	17.8
250.10977	5.9
251.11664	18.2
263.11670	51.8
264.12323	3.6
265.09753	16.8
265.13312	59.6
266.13654	5.4
279.11218	32.0
281.12646	3.3
291.11179	16.0
292.11713	4.5
293.12799	5.6
295.10724	15.5
297.12341	13.4
309.12274	88.1
310.13040	31.1
311.13855	3.9
319.10678	14.2
337.11746	100.0
338.12564	33.8
369.14362	31.6
370.15106	10.4
478.19321	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	510.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64281	0.6
66.30542	0.7
67.05427	2.8
68.04929	0.8
69.06986	3.9
69.19841	0.8
70.06497	0.9
79.05408	3.7
81.05728	0.7
81.06974	4.1
84.04420	0.8
84.08060	1.6
89.44457	0.8
93.06984	1.1
94.06503	4.1
94.12577	0.8
95.08523	3.5
96.08051	1.7
105.03299	1.2
106.30185	0.7
107.08477	1.0
109.10088	1.3
116.04917	1.0
118.66222	0.7
120.04432	5.3
121.05249	0.8
122.05994	3.1
123.11645	1.6
124.07552	41.6
133.10127	0.8
136.07582	1.3
138.05502	3.6
144.04439	3.0
146.06003	9.8
147.06755	1.5
148.07664	0.8
152.07092	1.2
159.11644	1.2
162.05473	1.6
165.27153	0.7
166.05026	1.1
172.03894	14.9
174.05466	6.3
190.04976	8.2
191.05743	4.6
192.06659	0.8
194.08371	1.7
197.10663	1.1
204.06508	15.0
206.08066	1.7
208.09833	1.5
209.10759	3.3
210.09154	1.1
210.11368	1.4
211.12320	1.5
212.09502	3.2
221.10701	1.4
222.07813	1.4
222.11513	1.5
223.12212	7.3
224.09450	4.4
225.10167	19.2
234.09097	3.5
234.11369	1.3
235.08658	9.9
235.12413	1.3
236.09315	17.2
237.10175	42.8
238.10793	6.5
239.11768	5.1
245.12848	1.8
249.10220	8.5
250.10950	8.2
251.08234	4.0
251.11726	48.9
252.08876	8.1
252.12405	5.1
253.09602	14.5
253.13283	5.0
254.10345	3.3
255.11142	7.5
261.10168	1.1
263.11716	3.4
264.08813	3.6
265.09650	58.3
266.10425	9.1
267.11237	30.4
268.11639	1.7
269.12775	4.9
278.06583	3.3
278.10559	1.3
279.11243	49.8
279.14343	1.8
280.08759	1.1
280.11743	5.9
281.09088	1.1
281.12735	3.2
282.10019	1.2
283.10794	6.4
284.11337	1.8
285.12161	1.8
291.11209	1.9
293.09140	35.4
293.12485	1.4
294.09946	10.3
295.10721	31.7
296.11154	1.5
297.12283	21.1
307.10800	12.9
309.12238	11.9
311.10114	7.5
312.10971	6.2
313.11792	17.0
314.12155	0.9
315.13431	4.0
324.10944	3.1
325.11752	48.8
326.12363	1.7
329.15002	3.8
335.10205	28.1
336.10953	1.4
337.11792	3.1
353.11261	100.0
354.11783	5.4
355.12631	1.4
371.12421	1.6
385.13910	9.3
387.15216	1.0
434.20352	1.0
436.18439	3.5
450.20105	1.8
460.18704	1.9
478.19650	64.6
479.19830	3.5
510.21619	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	510.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49696	3.0
55.05454	4.4
56.96472	2.6
67.05441	5.1
73.03475	2.8
81.06967	3.6
84.08051	4.0
85.02822	4.1
95.08549	14.2
109.10096	16.0
117.65354	3.2
124.07512	15.7
142.61255	3.1
146.06076	3.7
172.03806	5.6
184.07317	3.8
190.05026	4.0
204.06570	3.6
223.12276	4.0
225.10271	5.8
235.08644	3.6
237.10150	36.0
237.13777	5.2
238.11201	5.1
239.11719	4.3
247.53395	3.6
248.09396	7.9
249.10132	23.3
250.11052	16.2
251.11783	36.0
255.06450	3.5
255.11266	4.9
263.09479	4.2
263.11819	57.1
264.12360	4.6
265.09921	31.8
265.13232	52.2
267.11243	7.3
277.09717	4.9
279.11246	48.3
282.41983	3.2
291.10959	4.2
293.09204	20.9
293.12607	3.9
294.09918	4.7
295.10754	32.4
297.12381	16.9
307.10825	4.1
307.45038	3.9
309.12219	88.2
310.12930	35.5
311.10037	3.5
313.11737	12.7
319.10724	7.4
325.11884	23.7
335.10229	7.9
337.11749	100.0
338.12512	30.3
353.11185	46.2
369.14420	21.5
370.15433	5.3
478.19620	46.0
523.92780	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	510.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	1.1
55.05458	1.6
56.04959	5.8
60.04456	13.0
65.54568	1.1
66.37575	1.1
68.82487	1.1
69.03346	2.0
69.06989	13.1
70.02886	1.2
70.06152	2.7
70.06512	66.9
71.04887	1.9
71.06821	1.1
72.08054	3.1
74.05984	1.8
74.80008	1.2
83.06004	2.7
84.04430	52.9
84.08070	23.4
85.02813	5.4
86.05995	1.6
86.09628	100.0
87.05521	16.2
91.05386	8.9
91.51430	1.2
92.10818	2.1
93.04393	1.3
101.07076	8.4
102.05460	6.8
110.07126	13.0
110.54221	1.4
112.08678	2.4
113.07098	2.1
119.04889	6.9
121.06465	2.3
127.03883	5.4
129.06633	1.6
129.10202	9.4
130.04959	44.1
135.06744	6.9
136.07565	65.2
139.08716	1.6
144.08017	6.4
147.04393	1.7
147.07640	54.3
149.06055	1.6
151.03886	9.4
160.07553	17.4
178.08621	19.3
181.04904	3.2
223.10738	63.2
237.02881	1.6
249.16194	1.5
251.10217	23.4
260.16010	28.7
270.02036	1.4
364.18536	6.8
434.55972	1.4
466.09900	1.4
510.25079	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01791	1.3
55.05454	3.1
57.03362	2.0
58.06535	1.6
58.24870	1.5
58.99503	1.0
60.08093	20.6
67.05416	7.0
67.23321	1.1
69.06979	2.3
71.07285	9.2
72.82421	1.3
76.02134	1.7
79.05399	2.8
81.06971	5.3
83.08530	2.1
86.09625	76.3
91.05394	1.9
92.66985	1.3
93.06964	2.1
95.08533	8.2
98.05978	1.9
98.98392	7.9
104.10676	100.0
109.10151	1.4
120.08080	4.6
121.10119	1.9
124.99960	44.4
149.02357	2.8
158.02637	1.5
168.00345	1.3
172.95235	1.6
184.07298	89.3
185.07603	1.9
190.96245	1.8
193.04924	2.1
306.27896	13.5
307.28128	9.3
374.80994	1.3
492.30661	6.0
510.31763	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	510.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	0.9
56.04969	1.0
57.07006	4.6
58.06540	0.9
60.08101	23.3
67.05431	1.1
71.07297	7.2
71.08549	4.9
72.56124	0.8
81.06989	0.9
85.10091	1.2
86.09634	67.6
89.75455	0.9
95.08565	1.5
98.98417	6.4
104.10685	93.7
109.10147	0.9
124.99970	43.3
140.23764	0.9
157.27893	0.9
184.07314	100.0
247.10637	0.9
325.60413	0.9
327.28824	1.5
492.34546	7.9
510.35538	31.9
511.35956	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3553
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05430	0.5
57.03342	0.4
57.06993	0.9
58.06533	0.6
58.25906	0.3
60.07825	0.5
60.08092	9.8
62.65489	0.3
67.05417	0.6
70.29872	0.3
71.07292	4.7
71.08515	0.5
71.20065	0.3
71.60639	0.3
82.06898	0.3
84.31971	0.4
84.93547	0.4
86.09625	53.6
87.09969	0.7
90.00323	0.3
95.08533	0.5
98.98386	3.8
103.31741	0.4
104.10687	6.2
124.99958	38.8
125.47466	0.4
143.01022	1.0
184.07300	100.0
185.07594	0.6
195.59610	0.4
302.31421	0.4
338.33783	0.5
492.34619	0.8
510.35513	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	510.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17995	2.1
54.22144	1.7
55.05444	12.5
57.03362	9.6
57.06736	3.9
57.07011	100.0
59.11349	1.7
60.08485	1.8
61.02853	3.9
67.05424	19.8
68.59962	2.2
69.06984	16.5
71.08549	80.5
71.08951	2.8
73.02846	2.2
81.06965	29.9
83.08543	24.4
85.02833	11.2
85.10101	34.9
86.09629	4.5
95.08530	46.6
97.02814	2.8
97.10078	5.5
107.89361	2.6
109.10104	23.5
123.11671	9.4
124.99987	3.4
137.13246	3.7
157.57819	2.5
184.07277	15.4
194.12285	2.4
212.94630	2.2
239.23645	29.4
257.24673	5.7
313.27304	99.1
314.27756	3.1
331.28391	22.9
401.28601	3.0
506.43228	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	510.436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55305	1.5
53.42986	1.6
55.05458	2.7
57.07012	53.9
69.06988	3.3
71.08540	33.5
73.06476	4.4
85.10093	17.7
85.61510	1.7
86.15342	1.7
87.04366	2.1
89.05951	100.0
92.10307	2.6
92.63053	2.0
95.06194	1.6
97.10069	3.1
107.07011	7.3
114.36165	2.0
133.08585	27.7
159.46591	1.8
164.72101	1.9
177.11183	9.2
212.71605	2.2
232.10658	1.9
283.17416	10.2
299.29349	3.3
493.33792	2.9
493.40762	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	3.2
55.01779	0.6
55.05466	2.4
57.03374	3.1
59.04914	0.5
61.02841	0.6
61.17001	0.3
63.68818	0.2
67.05424	0.3
69.03351	10.2
69.03915	0.3
71.01241	1.2
71.04905	4.0
73.02810	1.1
75.50995	0.3
81.03342	9.0
83.04917	2.6
85.02354	0.3
85.02833	6.4
87.00735	0.4
87.04372	0.4
89.05957	0.5
91.05399	1.1
93.06993	0.3
95.08530	0.4
97.02809	2.5
99.04388	20.8
103.03883	8.2
107.08516	0.5
109.02831	7.7
117.05451	4.3
118.06467	1.3
120.08083	0.3
121.10096	0.3
127.03876	9.3
131.06041	0.4
132.08015	1.1
135.06361	0.4
135.08002	0.5
145.07594	7.6
146.08330	2.2
147.09151	23.4
157.07613	0.6
159.06436	0.4
159.09158	14.0
160.09959	3.5
161.10677	1.5
170.08351	0.4
171.09100	0.4
173.07040	0.5
173.10736	2.4
175.08614	3.8
178.27760	0.3
182.08362	0.4
184.09926	1.8
185.10715	16.6
186.11391	1.3
187.08649	3.3
187.12283	1.9
189.10185	4.8
190.09645	0.6
191.08124	100.0
192.08453	2.1
197.10680	3.1
199.08693	1.4
199.12303	5.5
200.09399	1.4
201.10208	1.5
203.11827	1.3
213.10248	1.6
215.08130	1.5
215.11768	3.9
216.07652	10.2
219.11229	0.5
225.10178	3.0
227.11774	2.3
227.16283	0.4
229.13390	1.8
231.11339	0.5
233.09190	0.6
241.09766	0.3
243.08961	0.3
243.11044	2.1
245.09221	1.5
245.12817	7.1
246.13417	0.4
253.09642	1.4
263.13861	8.4
271.10712	5.1
287.01758	0.3
289.11786	9.2
301.87064	0.3
305.14935	7.3
306.14661	1.5
307.12836	37.2
308.13348	1.2
324.15479	0.5
332.12488	0.3
345.17996	3.6
347.16022	0.6
349.13998	0.4
350.13498	2.6
371.16119	1.3
389.16995	10.2
391.14883	0.7
392.31598	0.3
397.14072	0.3
399.91275	0.3
406.19653	1.1
407.17920	0.5
407.28610	0.3
415.14828	2.4
432.17569	2.0
433.15826	3.1
450.18610	1.7
451.17032	4.9
476.16791	1.0
494.17624	90.9
495.17935	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	511.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00350	0.3
56.55071	0.3
57.99172	0.3
67.05423	0.3
70.06506	0.4
70.64733	0.3
74.02357	0.6
85.06448	0.3
91.05386	0.7
96.28925	0.3
98.97543	0.3
115.05448	0.5
117.05704	0.6
117.06982	0.7
118.06491	22.7
119.06905	0.6
130.06519	1.4
132.08054	6.6
132.74289	0.3
142.06511	2.0
143.07271	3.6
144.04367	0.5
144.08067	18.5
146.05991	87.0
147.06348	3.5
159.09146	8.0
160.07573	0.7
160.09415	0.5
161.46971	0.4
170.06000	4.7
188.07031	100.0
189.07352	4.4
190.07658	0.5
196.40550	0.3
205.09689	25.2
206.09944	1.3
331.60721	0.3
336.45227	0.4
339.80823	0.3
426.82965	0.4
472.94153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3029
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
51.20240	1.1
54.81330	1.6
55.05450	37.8
57.03378	15.3
57.07012	14.2
67.05434	20.5
69.06986	45.6
69.31268	1.5
71.07242	1.5
71.08544	5.7
75.04382	2.1
78.35622	1.6
79.05397	8.2
81.06974	26.4
83.08539	23.9
85.10123	1.9
86.09627	6.3
87.31105	1.3
88.36904	1.3
91.05380	2.1
92.10269	3.3
93.06975	14.0
95.08535	24.7
97.06451	1.9
97.10101	16.3
98.98399	55.4
107.08527	6.6
109.10108	9.5
111.07998	2.2
116.99444	2.1
120.98681	1.4
121.10081	11.3
123.11696	1.9
124.99993	2.1
126.44324	1.3
135.11632	5.5
144.74280	1.6
149.13234	1.8
155.01015	15.9
157.85101	1.4
173.02101	2.5
184.07306	10.5
193.52675	1.4
215.59627	1.4
245.46782	1.5
339.28867	100.0
349.52542	1.8
351.19202	1.6
399.95892	1.6
425.08679	1.7
475.27866	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	512.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.8
55.05452	38.0
65.03859	3.1
67.05432	0.5
69.03355	0.4
72.79401	0.3
74.14995	0.4
81.03318	0.7
81.06953	0.8
83.01270	0.7
83.04900	57.2
84.04421	0.4
84.08061	0.5
85.02846	1.5
86.09634	0.8
89.41037	0.4
91.05407	0.4
95.04887	0.4
95.08526	0.7
99.02669	0.4
105.06997	0.5
107.08528	0.6
109.02856	1.9
111.04395	3.6
113.15149	0.4
121.02821	100.0
121.10072	0.5
122.03127	1.5
126.74164	0.4
127.03876	1.7
139.03920	0.6
184.07327	1.7
213.17351	0.4
226.55713	0.4
229.06891	0.8
257.06476	4.1
267.05096	1.0
279.22955	0.5
295.04562	1.6
339.10678	0.5
349.09024	0.7
371.79175	0.4
377.08643	0.8
395.09570	0.5
494.11023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	2.8
56.04977	1.0
57.03354	0.6
57.07004	2.2
58.06519	0.9
60.08096	21.6
67.05421	2.3
69.06994	4.0
71.07291	7.5
76.56086	0.5
79.05381	0.8
81.06976	2.6
83.08533	2.5
86.09628	73.0
87.09972	0.7
92.10275	2.5
93.06982	1.4
95.08519	0.9
97.06449	0.6
97.10119	0.6
98.98403	4.4
104.10677	100.0
105.11044	0.7
107.08551	0.8
121.10132	1.2
121.87751	0.6
124.99963	44.9
143.38948	0.5
178.59819	0.6
184.07304	99.6
285.80368	0.5
311.25757	2.2
494.31979	5.8
494.50833	0.6
512.33362	44.6
513.33496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55653	1.9
57.07009	36.5
57.27830	1.8
64.33009	2.1
71.08547	21.3
73.06472	2.8
73.49420	2.0
78.87648	2.2
81.43513	1.9
85.10101	12.1
86.09582	3.4
87.04379	2.5
87.14794	1.9
89.05951	100.0
91.63583	2.1
96.07352	2.1
107.07056	4.0
133.08574	38.0
170.24832	2.4
177.11215	12.2
184.07211	2.9
221.13847	2.3
327.20074	26.7
495.38644	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	513.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30503	0.4
56.96503	56.6
74.97533	0.8
80.76548	0.6
84.57519	0.6
84.95939	5.0
97.96715	0.7
98.97511	49.9
99.09152	0.7
110.97546	0.6
112.99071	0.8
116.98566	45.9
119.08524	13.3
124.99072	6.4
128.98553	1.6
133.10097	3.1
134.99629	31.3
140.00223	0.9
143.00137	46.1
145.01723	1.5
146.99654	3.0
149.01201	1.5
152.74060	0.6
153.00633	5.3
155.00195	1.0
158.01253	1.0
158.99680	1.2
161.01186	100.0
161.09557	1.0
162.01524	0.6
166.01698	1.1
170.01192	0.6
170.99687	1.5
173.01219	4.5
173.09282	0.6
177.00728	0.8
179.02226	12.2
184.02809	3.3
185.01193	10.0
189.00639	3.1
191.02261	1.6
203.02216	7.8
205.05374	0.9
209.04863	0.7
211.06441	1.5
219.06885	0.8
221.38165	0.7
223.06448	1.5
226.03859	0.9
227.05836	1.0
233.04929	0.7
235.06488	2.7
247.06317	0.8
251.05861	12.1
253.07440	3.5
259.06439	1.4
265.07507	4.0
269.06946	6.3
277.07413	7.7
283.08450	0.9
295.08401	4.6
313.09235	0.7
370.34702	0.7
379.10693	2.5
396.29694	0.7
453.15768	6.0
471.16922	15.8
489.17892	4.2
494.18549	0.7
513.17877	63.0
514.18091	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	513.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56909	2.5
56.96505	100.0
62.78729	3.1
67.05451	3.4
73.24586	2.8
81.06999	3.1
84.95958	14.5
86.09625	5.1
91.05425	3.7
95.08558	2.8
98.97511	25.2
107.08569	3.7
116.98563	40.8
119.08523	5.4
128.98569	16.5
134.99635	35.6
143.00159	11.4
146.99629	24.4
149.01173	3.3
153.00681	6.3
161.01157	26.7
173.01295	11.1
179.02219	4.7
184.07246	7.2
185.01317	3.5
191.02272	6.8
203.02313	6.0
209.04810	4.0
223.06302	3.6
227.05855	4.5
247.06415	4.0
251.05809	32.0
253.07372	6.0
265.07397	12.4
269.06900	29.6
337.09601	5.4
379.10617	16.3
394.91794	3.7
453.15790	15.6
471.16873	21.8
513.17780	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	513.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34517	1.1
51.71673	1.2
53.03885	11.9
55.01804	9.1
55.05438	7.5
56.04964	2.6
56.96489	2.8
57.03363	6.9
65.03844	3.4
67.05423	17.6
68.68753	1.4
68.99704	2.2
69.02969	1.7
69.03350	48.5
69.06981	6.5
70.06143	1.9
70.06509	46.6
71.04894	9.4
71.06825	1.6
73.02802	3.4
75.91127	1.5
79.05397	10.1
81.03336	36.3
81.06966	9.7
82.06525	2.3
83.04885	9.2
83.08490	1.6
84.04423	37.1
84.08067	11.0
85.02824	47.5
85.06454	2.9
86.09625	9.2
87.00745	28.8
87.04371	2.0
88.03918	1.9
91.03870	1.7
91.05399	30.1
92.05739	1.8
93.03320	2.1
93.06974	23.1
95.04892	26.9
95.08531	11.7
97.02824	45.4
97.06448	3.3
98.69021	1.8
99.04396	12.7
102.05451	8.7
105.01814	13.5
105.06969	35.6
107.04887	2.0
107.08535	11.7
109.02153	2.3
109.02830	31.5
109.06473	21.9
109.10072	2.9
110.07112	13.1
111.04395	15.2
111.08034	6.8
112.08733	1.9
113.05910	8.1
115.05403	1.6
115.08637	2.5
116.98539	2.2
117.06955	9.6
119.04907	16.3
119.08533	46.9
120.05197	2.2
120.08074	2.6
121.02821	3.5
121.06463	20.1
121.10065	8.0
123.08000	11.4
125.05877	1.9
127.03880	40.2
128.06200	1.8
129.06937	7.1
129.10220	3.0
130.07767	2.7
131.08534	26.4
133.06453	6.2
133.10117	12.5
134.99704	1.6
135.08017	34.2
137.05923	2.7
137.09595	3.9
139.03850	3.0
139.07561	2.4
142.07739	7.5
143.08546	9.0
144.09286	3.2
145.04907	6.3
145.06465	3.3
145.10114	22.9
147.04376	27.3
147.08015	20.6
147.11676	9.3
148.04704	6.1
149.09575	8.7
155.08418	3.0
156.09268	3.2
157.10080	12.0
158.07230	10.8
159.02855	8.8
159.08023	22.7
159.11658	21.7
160.08766	1.9
161.05911	2.0
161.09547	22.9
161.13182	5.9
165.09076	10.6
168.09308	7.8
169.10004	2.0
171.07950	3.1
171.11613	3.6
172.08852	11.9
173.09558	12.9
173.13240	12.1
175.03893	12.3
175.07483	30.9
175.11110	19.8
176.04092	2.4
181.04915	16.9
182.05359	3.4
183.11630	9.0
185.09555	2.4
187.11119	18.7
189.09077	8.8
189.12700	8.9
193.08560	6.3
193.10146	2.1
196.08804	2.8
199.11044	11.6
201.12666	17.0
203.10643	20.4
205.00095	1.7
205.12134	2.9
207.06448	11.7
208.06827	3.1
211.11276	13.3
213.03923	3.6
217.12119	10.3
219.13725	6.2
223.06404	6.9
229.12222	13.7
231.04848	3.4
241.07295	6.0
247.13208	42.8
265.07462	3.2
265.14285	100.0
266.14661	2.7
283.08536	11.5
284.08795	2.1
325.09271	2.0
330.30042	1.7
332.31958	1.6
366.64941	2.1
423.42615	1.7
427.12680	5.1
428.12964	3.6
477.17081	1.9
495.18640	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81716	0.5
60.84499	0.5
74.02331	0.8
77.64869	0.5
85.19149	0.5
91.05368	0.9
115.05418	2.0
117.05711	0.9
117.06975	0.8
118.06493	27.2
119.06807	0.9
130.06480	10.8
132.08064	8.0
142.06493	2.5
143.07263	4.1
144.04344	0.6
144.08070	18.1
145.08415	1.1
146.05988	93.9
147.06352	6.3
157.07524	0.5
158.08347	2.3
159.09149	8.9
160.07530	0.9
170.05991	7.4
171.06555	0.5
188.07031	100.0
189.07367	7.8
190.07549	0.8
199.00813	0.5
205.09692	28.5
206.10085	2.5
207.45291	0.6
230.09560	0.8
258.09058	0.6
286.08554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81335	1.5
56.04969	1.4
56.96500	15.1
57.07006	2.3
58.45105	1.1
60.91411	1.2
67.05415	2.5
70.32285	1.2
81.06939	2.4
84.08062	100.0
85.08392	7.2
93.04319	1.3
93.46123	1.4
95.08499	1.7
102.92531	2.9
129.10193	63.7
130.08595	2.3
130.10519	2.3
136.93150	2.3
147.11296	1.5
154.94133	16.9
170.44957	1.3
172.95190	80.2
183.14989	1.5
184.07304	3.2
186.12404	2.8
190.96236	66.6
195.96773	1.8
197.98315	6.5
208.97298	1.9
210.96716	14.4
212.98251	1.8
215.99472	3.3
228.97783	34.7
233.73518	1.4
246.18166	2.1
246.98912	9.9
317.17789	23.3
335.18805	16.9
344.08542	1.4
397.14459	2.3
453.17014	26.8
471.18130	83.3
494.19312	5.5
501.59158	2.1
513.39911	16.2
514.22754	6.5
514.40149	9.4
522.75958	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	2.1
54.81557	0.8
55.01800	4.0
55.05453	1.5
61.02881	0.8
67.05420	6.0
69.03354	11.4
70.06502	1.3
71.04915	1.3
79.05421	7.7
81.03325	7.5
81.06979	20.2
83.08574	1.0
83.84598	0.8
84.04385	1.6
84.08070	1.4
85.02827	14.9
86.09620	4.0
87.00755	7.1
91.05371	1.5
92.10952	3.3
93.06979	7.0
95.04921	1.1
95.08533	20.7
97.02830	7.6
99.04380	1.9
105.01817	3.9
105.06986	9.2
107.08536	2.2
108.21271	0.9
109.02827	5.3
109.06509	7.3
109.07114	0.8
111.04388	23.0
117.06966	1.4
119.08537	5.7
121.06429	0.9
121.10100	87.9
122.35419	0.9
123.04381	14.8
123.08036	5.8
123.89847	0.9
125.05929	1.2
127.03866	8.5
133.10103	7.3
137.05960	26.4
143.08533	5.7
145.10106	7.1
147.08092	2.1
151.07532	27.4
152.71375	1.0
155.08490	1.8
156.09419	3.3
157.10054	6.6
159.08073	1.0
159.11584	1.4
161.09634	1.6
170.10844	8.7
171.07988	1.8
171.11615	2.2
173.09599	2.1
175.07498	6.3
180.09367	1.9
184.07336	3.4
185.13228	11.7
187.14845	1.4
189.09056	9.9
195.11639	2.1
198.10353	3.8
202.09846	3.4
203.10588	1.2
203.14339	1.3
213.04086	1.1
213.12694	16.5
216.11420	1.9
231.04944	1.7
231.13756	100.0
232.14085	3.7
249.14806	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	515.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.4
53.53450	0.3
55.01815	0.6
55.05447	4.4
57.03364	0.5
57.07015	2.3
59.04929	0.5
62.39924	0.2
64.83668	0.2
65.03857	0.7
67.05431	4.5
68.99699	0.7
69.03352	6.3
69.06989	1.4
70.06502	3.0
71.01271	0.4
71.04893	0.5
71.85710	0.3
72.08062	1.3
73.02828	0.5
79.05408	7.3
81.03302	0.5
81.06970	2.8
83.04897	26.5
83.08539	0.3
84.04411	1.2
84.08070	1.6
85.02823	4.1
85.06450	2.8
86.09615	0.6
91.05396	10.8
93.06966	13.1
95.01244	3.5
95.04885	4.9
95.08529	1.7
97.02802	0.5
97.06448	0.8
99.00693	0.3
99.04371	0.4
103.03854	0.4
105.06958	9.1
107.04878	1.4
107.08533	55.2
109.02798	2.8
109.06477	6.3
109.10098	1.2
110.07126	0.4
111.04334	0.3
111.07990	2.2
113.02312	0.7
113.05949	1.8
115.05383	3.4
117.06958	6.8
119.04868	0.7
119.06011	0.8
119.08533	10.5
119.09296	0.5
120.05629	0.3
121.06454	27.4
121.10090	2.9
123.07996	1.7
125.05930	0.5
125.09570	0.4
127.03899	0.7
127.07493	3.7
128.06161	0.6
129.06953	1.8
129.10213	0.3
130.07732	0.4
131.03348	0.4
131.08527	8.4
133.06496	0.5
133.10092	5.6
134.07263	0.3
135.08015	100.0
135.11606	1.3
136.08374	0.7
137.05934	0.6
137.09599	0.5
141.01811	3.3
141.06932	0.7
142.07782	0.4
143.08511	2.9
144.05623	0.4
144.09285	2.9
145.06447	5.8
145.07465	0.4
145.10085	4.1
146.07298	0.6
147.08005	6.1
149.05940	2.9
149.09575	2.5
149.13278	0.5
151.11176	0.3
153.06995	0.4
153.09039	2.5
155.08528	1.3
157.06543	0.4
157.10098	1.6
158.07262	0.7
158.10887	3.4
159.08023	6.6
159.11652	14.1
160.08815	0.7
161.09576	5.9
161.13197	3.0
163.07498	26.6
163.11176	1.8
168.09264	0.5
169.10023	0.6
170.10851	0.7
171.07869	1.0
171.11653	0.6
172.08798	4.6
173.05908	2.0
173.09576	4.4
173.13217	13.2
175.07486	0.7
175.11130	1.2
175.14731	0.5
177.05432	0.4
177.09059	0.6
177.12715	2.1
181.04956	1.2
182.04980	0.6
183.11644	2.6
185.13228	0.6
186.10362	6.0
187.07491	0.6
187.11140	16.5
189.09102	1.9
189.12709	1.6
191.06972	3.3
191.14268	0.8
196.08743	0.5
201.12697	17.1
202.12921	0.3
203.14243	4.3
205.12201	18.3
210.18483	0.3
211.11079	2.2
214.09958	0.4
219.13751	26.1
220.14136	0.5
229.12187	20.4
233.11592	0.4
247.13220	26.3
248.13577	0.5
249.11078	0.7
265.14285	0.6
303.15903	0.4
321.16864	6.6
329.04773	0.4
345.70624	0.3
347.06018	0.4
405.15280	0.6
423.16345	2.0
481.55090	0.4
509.77451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	2.2
55.01797	0.6
55.04213	0.5
55.05447	4.3
56.96505	0.7
57.03425	0.6
57.07016	1.1
63.23789	0.6
67.05421	4.1
69.03011	0.8
69.03348	13.5
69.06981	5.1
70.06525	0.6
71.04905	0.9
73.82784	0.6
79.05405	8.6
81.03334	4.7
81.06978	15.0
83.04897	4.7
83.08535	1.2
84.04432	0.6
84.08057	0.9
85.02824	14.1
91.05416	6.4
93.06980	6.6
95.04885	2.7
95.08541	3.8
97.02818	6.0
97.06490	1.2
99.04384	9.5
103.03874	19.2
103.05360	0.8
105.06967	9.3
107.04890	6.4
107.08532	33.0
109.02831	4.6
109.06464	4.3
109.10117	8.4
115.05449	1.1
117.06955	3.6
119.08537	5.9
121.06442	3.7
121.10099	18.3
122.07248	5.5
123.08030	2.4
127.03871	20.5
130.90717	0.7
130.95059	0.6
131.08565	4.7
133.10095	100.0
134.10455	1.0
135.08023	13.3
135.11650	2.2
135.94972	0.6
137.09590	66.6
138.05563	0.7
145.04942	7.9
145.10100	2.4
147.11667	3.3
149.09612	3.1
149.13240	15.3
151.03915	0.6
151.11143	4.0
158.10851	1.1
163.05965	5.5
163.14764	0.9
165.12720	4.3
173.13226	7.5
191.14275	56.3
205.07085	0.7
209.15329	13.6
271.08023	1.3
299.19742	0.6
307.10165	1.2
332.74506	0.6
422.65881	0.8
492.00421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	2.5
55.05441	13.3
56.16827	2.2
56.96504	3.8
57.03369	3.7
59.69043	2.5
64.62086	2.2
67.05411	11.2
69.03358	33.5
69.06989	16.1
70.06493	4.5
71.04914	5.3
73.02843	2.4
79.05400	16.4
81.03330	12.3
81.06964	22.4
82.87149	2.5
83.04902	4.3
84.04418	4.1
84.08076	3.9
85.02818	36.4
86.09612	3.8
91.05401	13.7
93.06977	21.6
95.04902	5.9
95.08539	24.6
97.02833	21.2
97.06448	4.3
99.04388	23.0
103.03880	28.4
105.06956	18.4
107.04903	4.4
107.08548	47.0
109.02805	9.3
109.06475	15.7
109.10110	24.6
110.07101	5.9
111.32874	2.6
113.81777	3.0
114.54440	2.6
115.05433	3.1
116.98586	4.2
119.08484	12.5
121.10107	41.0
122.07215	3.9
123.08025	4.0
127.03868	32.1
131.08482	9.0
132.12064	3.3
133.10095	100.0
135.08018	20.5
137.08530	4.3
137.09584	85.0
145.04982	10.6
149.09598	11.9
149.13228	18.5
151.11180	45.4
163.05911	4.3
163.14742	4.6
169.42258	2.6
173.13235	11.9
191.14276	88.6
209.15347	34.5
218.81586	3.2
377.83185	3.5
514.62531	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	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36916	3.6
55.01809	4.0
55.05449	28.4
56.96504	4.4
57.03370	6.5
58.88312	3.4
67.05424	98.7
69.06982	22.9
70.00009	3.6
73.45882	3.3
79.05416	54.6
81.06979	100.0
83.08527	8.1
85.06487	4.0
86.09611	7.9
91.05409	39.7
93.06967	73.9
95.04884	8.3
95.08530	69.3
97.06467	4.2
102.66238	4.3
104.10746	5.1
105.06970	18.8
107.08546	40.7
109.10096	28.9
117.06976	15.4
119.08521	33.3
121.10092	26.4
123.11633	7.1
124.99903	4.6
125.09496	4.0
131.08542	30.5
133.10120	7.3
135.11659	27.3
145.10118	19.9
147.11729	6.4
149.13266	9.1
159.11639	6.7
164.96426	4.6
172.95175	9.1
184.07288	26.6
190.96204	6.0
243.21037	20.8
261.22076	58.7
353.26962	7.1
515.37213	5.4
516.23700	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	516.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.3
53.57994	0.4
55.01812	1.0
57.03364	0.9
61.02856	4.2
69.03358	5.6
69.06992	0.9
70.06529	0.5
73.02839	4.4
81.03342	1.6
82.06507	0.5
82.99786	0.5
84.04427	0.5
85.02830	9.6
86.09634	100.0
91.03900	1.6
97.02836	6.3
99.04417	0.5
101.02344	0.5
102.75891	0.4
105.56676	0.4
105.97227	0.4
109.02841	1.0
114.33290	0.4
119.01875	2.2
123.02842	1.2
127.03891	4.7
132.03419	0.8
132.10178	40.7
134.38890	0.5
138.03419	0.7
142.22861	0.4
143.01933	1.7
144.03450	0.6
145.03374	0.5
145.04979	2.0
147.03940	0.6
153.03941	0.8
155.01880	2.3
161.02960	3.3
162.04475	0.7
163.04611	0.5
169.03424	0.7
173.02905	7.5
174.03136	0.7
174.04553	0.9
175.04588	0.5
183.05002	2.7
185.02942	2.9
187.04451	0.5
192.05441	0.4
203.03958	4.6
205.07103	0.5
215.04054	1.5
234.06575	0.9
234.56667	0.4
234.61768	0.5
245.05074	3.6
246.05232	0.7
257.04993	0.7
263.06158	0.8
264.07538	5.1
264.57837	1.6
287.06287	0.5
305.07245	0.6
315.84872	0.4
345.10342	0.8
345.60281	0.6
347.08203	1.8
407.10556	1.4
487.94193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	4.1
56.96498	14.9
59.30745	0.7
67.05423	1.4
69.06998	4.3
79.05408	0.9
81.06960	1.6
86.09624	1.3
91.05428	1.2
95.08536	1.5
98.05994	1.4
107.08504	0.7
109.10143	0.9
130.01762	1.7
136.93077	7.6
148.02805	3.1
154.94141	33.7
154.95343	1.3
159.03267	1.4
160.02838	2.8
172.95207	100.0
177.95715	1.1
184.07365	1.7
190.96252	68.3
191.12892	0.7
195.96916	3.5
197.98328	1.1
198.96745	1.6
202.07440	1.2
208.97357	1.3
210.97682	7.8
213.97858	2.7
216.09023	3.1
216.97797	0.7
228.97943	1.4
234.10031	0.8
238.11011	0.9
240.12715	1.3
252.12767	3.3
258.13785	1.2
270.13620	1.7
272.15329	0.9
306.27927	6.4
308.87570	1.2
319.19424	1.2
332.22604	4.4
337.20514	1.5
346.20432	1.6
348.21939	7.9
350.23636	26.9
362.23593	28.2
366.22849	1.2
368.24619	1.3
380.24640	1.8
398.17538	6.6
424.19116	6.0
441.69885	0.8
442.20151	13.4
460.21344	35.7
481.04251	0.8
516.23956	87.4
517.24438	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	0.8
56.96502	7.4
57.07000	0.5
62.61996	0.5
64.91344	0.6
67.05431	0.9
72.08045	0.7
81.06973	0.8
86.09614	1.1
97.06403	0.7
102.92535	4.2
104.10641	2.3
107.08493	0.6
120.93559	0.6
136.93074	5.6
146.99640	0.8
154.94139	21.9
157.39862	0.7
172.95192	81.6
174.98488	0.9
189.04294	0.7
190.96245	57.6
192.95679	1.3
195.96814	3.1
197.98337	10.4
198.96889	1.0
208.97278	2.6
210.96738	12.3
212.98276	0.8
213.48070	0.6
213.97769	1.2
215.99428	9.5
218.62819	0.7
221.02306	0.6
228.97809	40.1
230.99405	1.0
246.98897	7.8
308.87415	2.3
319.19351	9.5
333.90680	1.2
335.18756	3.0
337.20419	25.6
338.20767	1.0
351.91595	2.9
355.21295	1.0
360.21552	1.1
399.16129	1.3
417.16879	2.3
455.18604	16.0
457.22595	1.4
473.19739	100.0
474.20120	4.4
485.71759	0.8
496.21036	1.4
516.24585	19.2
517.24872	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89872	0.3
54.81923	0.4
56.04964	2.6
58.06528	0.8
69.03317	0.4
69.06990	9.2
70.02844	0.3
70.06507	18.7
71.06844	0.5
72.08073	0.7
72.54591	0.3
74.05990	11.3
81.03338	0.4
83.99124	0.3
84.04426	4.1
84.08080	0.9
84.99731	0.3
85.02816	2.0
86.09627	100.0
87.09940	1.4
88.03927	3.7
88.04407	0.5
91.05396	0.7
92.10234	0.8
96.04385	0.7
98.97514	0.8
100.07587	1.8
101.07083	2.4
102.05460	0.7
106.56465	0.4
107.04902	0.5
110.07105	0.8
114.05476	1.7
115.08649	1.7
116.07037	26.5
116.98561	0.5
119.04878	0.7
120.06529	0.5
120.08070	0.6
120.22839	0.4
125.07065	0.5
127.03886	0.7
129.10201	0.5
130.04997	2.3
134.99623	0.4
136.06189	1.8
136.07547	0.4
137.05870	0.4
141.06561	8.4
141.10208	0.6
142.12248	0.6
145.09702	6.0
146.06012	0.6
147.04385	1.4
149.23758	0.4
152.10692	0.8
155.08197	0.6
156.10249	0.8
157.13388	0.5
159.07657	3.6
166.57495	0.4
171.07616	0.5
173.09212	3.9
175.03871	0.8
177.00645	0.9
181.04935	0.8
187.07056	4.6
187.14430	0.6
191.02296	0.5
192.04550	0.4
196.06068	1.5
199.10805	0.8
201.12297	3.6
203.27676	0.4
207.06581	0.7
215.13910	3.7
217.11771	8.9
219.01729	0.4
227.10342	0.7
229.11719	0.7
231.09747	1.7
237.02562	2.0
254.15013	0.6
255.03462	0.7
272.15958	0.5
295.12866	1.4
300.15521	5.0
309.08685	1.7
312.15472	1.7
330.16486	0.9
351.09433	0.5
355.19888	0.6
356.18277	1.6
373.07465	0.6
373.20743	1.7
383.18979	2.9
401.20190	18.0
402.20383	1.4
475.10645	0.4
498.25726	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	3.7
57.06995	1.9
58.67789	1.8
60.08089	3.8
60.93876	1.7
67.05418	3.4
68.61716	2.0
69.06980	3.7
71.07272	4.5
78.25106	1.8
81.06972	3.8
83.08514	2.3
86.09618	34.3
87.09866	1.8
91.96529	2.1
93.06978	2.8
95.08516	8.3
99.98476	2.2
104.10677	100.0
104.11369	3.4
105.19319	2.1
106.27508	2.3
109.10101	3.0
121.10098	2.9
124.99953	4.6
145.19543	2.2
146.98151	12.6
150.38249	2.1
155.24925	2.2
165.72769	2.0
184.07239	10.3
308.87329	2.0
311.25800	4.8
329.62424	2.4
372.88776	2.5
457.23117	46.7
516.30621	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91557	0.5
52.34600	0.5
52.56805	0.5
53.00239	0.7
53.03897	0.5
53.80497	0.5
55.01800	1.4
55.05453	6.3
57.03379	6.1
57.07014	16.5
61.02850	1.2
67.05428	4.9
69.03345	7.9
69.06985	8.1
71.01276	0.7
71.04900	1.3
73.02828	3.4
79.05407	11.2
81.03343	1.2
81.06974	9.3
83.04893	5.2
83.08533	3.7
85.02834	7.7
85.06466	16.7
87.04340	0.7
87.08039	0.8
88.95711	0.6
91.05406	36.2
93.06969	4.0
95.04890	0.8
95.08526	2.5
97.02812	0.7
97.06445	1.3
99.04388	2.5
99.08016	2.2
99.71895	0.6
103.03875	1.0
103.07491	0.7
104.06204	1.1
105.06979	7.0
107.08512	3.3
109.06461	6.3
111.04400	1.1
111.08034	10.1
117.06938	1.1
123.08079	1.0
125.09581	2.9
127.07516	12.3
129.09065	2.6
133.10091	100.0
134.10442	1.4
135.08055	1.4
141.09079	1.1
147.08061	3.9
149.08403	1.2
149.09595	34.1
153.09081	7.8
171.10115	14.8
189.11143	13.8
261.77826	0.7
269.52829	0.6
337.20062	4.0
485.28745	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	517.1339
Annotation	Formononetin 7-O-beta-D-glucoside-6'-O-malonate
Peak:m/z	Relative Intensity
52.93542	0.1
92.10252	0.7
104.12704	0.1
107.04901	2.5
108.02045	0.2
114.36444	0.2
118.04109	3.9
123.04281	0.2
133.02802	0.3
133.06467	0.6
137.02310	1.4
152.06105	0.1
154.02621	2.0
156.05692	0.2
163.03909	0.5
165.06923	0.1
170.07285	0.3
181.06416	0.6
182.07199	0.6
185.09398	0.2
195.08049	0.2
197.05948	1.6
198.06725	1.2
199.07442	0.2
212.78436	0.1
213.09070	8.9
214.09387	0.1
224.35736	0.1
225.05363	1.1
226.06201	4.5
237.05428	7.0
241.08409	0.3
253.04904	5.5
254.05670	9.0
269.08029	100.0
270.08353	3.1
341.67645	0.1
409.55551	0.2
469.16974	0.1
477.27301	0.1
517.13306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1343
Annotation	Formononetin 7-O-beta-D-glucoside-6'-O-malonate
Peak:m/z	Relative Intensity
50.91933	0.1
52.04404	0.2
53.03870	0.9
54.81581	0.1
55.01810	0.4
55.05439	0.4
57.03370	1.4
57.41246	0.2
60.06727	0.2
61.02841	1.1
64.21788	0.2
64.43070	0.2
64.83022	0.2
68.99711	0.7
69.03351	4.9
70.06509	0.3
71.04895	0.3
73.02824	1.0
81.03340	4.0
81.06985	0.3
84.08037	0.2
85.02345	0.3
85.02830	7.0
85.75146	0.2
86.09619	0.3
87.00761	2.3
87.04400	0.2
91.05405	0.8
93.06956	0.3
95.08534	0.2
97.02814	1.8
99.04366	1.3
100.11156	0.8
103.03884	0.3
105.01798	0.4
107.04882	0.8
109.02842	2.6
119.04900	0.2
119.08540	0.2
127.03889	3.2
129.01840	0.3
130.43524	0.2
133.10075	0.3
137.43622	0.2
145.02820	1.2
145.04869	0.3
151.03883	4.0
155.08427	0.2
156.15166	0.2
156.40250	0.2
159.02786	0.7
165.07018	0.2
170.07256	0.7
181.06487	1.0
182.07230	0.9
182.15477	0.3
198.06700	2.0
210.06660	0.3
210.14877	0.2
213.09077	8.5
226.06210	2.7
229.76633	0.2
236.04555	0.2
241.08571	3.7
251.06966	2.6
252.07547	0.2
253.08571	0.9
254.05754	1.5
269.08029	100.0
270.08356	4.2
289.36115	0.2
293.08029	1.5
311.09094	3.5
322.68298	0.2
323.09238	0.2
367.61969	0.2
416.30237	0.2
431.13370	3.8
473.14359	0.3
499.12173	1.3
499.70193	0.2
516.88812	0.3
517.06207	0.2
517.13336	6.3
517.29626	1.3
517.38086	0.2
518.13696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1338
Annotation	Formononetin 7-O-beta-D-glucoside-6'-O-malonate
Peak:m/z	Relative Intensity
73.97906	0.1
76.84565	0.1
81.53144	0.1
84.08072	0.1
92.10178	0.2
99.87785	0.1
105.06946	0.2
107.04899	1.8
108.02031	0.1
108.88357	0.1
118.04107	3.3
131.11067	0.1
133.06448	0.6
137.02292	1.2
147.04376	0.2
152.06064	0.1
154.02577	1.9
163.03853	0.4
170.07237	0.4
180.05692	0.1
181.06380	0.9
182.07260	0.5
195.08043	0.1
195.51605	0.1
197.05930	1.6
198.06674	1.1
199.07393	0.1
209.05998	0.1
209.16589	0.1
212.08337	0.1
213.09056	7.5
214.09309	0.1
225.05397	0.9
226.06200	3.8
237.03018	0.2
237.05409	6.1
238.06050	0.1
241.08546	0.2
253.04887	4.7
254.05664	8.3
255.06018	0.2
269.08026	100.0
270.08347	2.7
314.84561	0.1
387.44003	0.1
470.02170	0.1
517.13367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32369	2.9
55.05434	4.6
56.89027	3.6
57.07007	45.9
57.64303	2.9
61.01070	17.7
67.05413	7.6
68.87429	3.4
69.06992	8.0
71.08546	36.1
71.53252	3.1
72.04427	67.8
78.03708	43.8
78.08540	3.5
79.57857	3.8
81.06966	16.7
83.08522	13.2
85.10091	18.5
88.02135	14.9
94.03041	3.3
95.08517	23.9
95.35564	3.5
102.03703	51.9
109.10084	6.7
112.98130	3.3
113.05907	5.4
114.03676	12.0
125.17424	3.2
131.06343	18.3
132.04742	32.9
142.08606	15.2
149.07414	72.1
159.05930	6.0
166.06924	3.3
184.09618	5.8
199.82353	4.1
239.23634	7.1
261.12552	5.3
310.27466	33.7
387.30292	100.0
388.30545	4.0
499.35568	48.4
517.35822	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	517.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81530	0.6
60.09559	0.6
64.58106	0.6
69.82399	0.6
86.80579	0.6
89.43158	0.6
187.77538	0.7
391.74023	0.6
517.37012	100.0
518.37421	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	518.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96907	0.4
60.05564	0.7
61.02859	2.6
61.81899	0.4
69.03334	2.5
70.06503	5.0
73.02823	2.4
76.33836	0.5
85.02812	4.1
91.03846	0.9
91.44406	0.4
95.12602	0.5
97.02809	1.2
100.53749	0.5
103.34540	0.6
112.07565	1.8
115.55827	0.6
116.07022	1.0
127.03873	2.6
128.22559	0.5
129.10173	0.5
132.02087	72.0
133.02432	0.6
134.96924	0.5
145.04947	0.7
150.03157	2.5
173.02972	1.2
174.03139	0.7
175.02606	0.7
175.11871	3.0
175.81589	0.5
176.01060	100.0
204.04211	0.8
205.03703	0.6
211.02361	0.6
232.03241	0.5
264.07544	0.6
264.57654	0.9
265.07629	2.1
391.57986	0.5
458.44620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04965	0.5
60.08092	9.2
67.05420	0.6
71.07281	4.4
72.10895	0.5
81.06963	0.8
86.09621	57.1
93.06910	0.5
98.98383	4.4
104.10649	4.7
121.20041	0.5
124.99956	38.5
143.01006	0.7
176.73940	0.5
184.07291	100.0
185.07616	0.6
247.27570	0.5
271.05920	2.0
289.28076	0.5
500.31265	0.9
518.32172	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04964	0.9
59.07302	1.1
60.08093	24.5
67.05408	2.3
71.07282	9.2
76.55783	1.1
79.05392	1.8
81.06967	2.1
86.09625	78.5
98.98405	7.3
104.10678	95.5
104.92640	1.0
124.99958	48.0
147.14716	0.9
158.68575	0.9
158.98845	1.0
184.07304	100.0
500.31171	7.1
518.32385	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	518.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	9.8
57.73090	1.4
59.71686	1.3
60.08081	2.1
67.05425	100.0
67.05787	3.7
69.03324	1.8
69.06983	9.8
79.05396	15.3
81.06506	3.4
81.06973	82.6
83.04929	1.8
83.08536	3.8
86.05995	2.4
86.09613	11.8
87.04388	7.6
91.05402	3.3
93.06957	11.7
95.08532	67.1
96.91662	1.6
104.07025	9.1
104.10683	3.9
105.06961	2.6
107.08553	8.5
109.06454	1.7
109.10109	15.1
119.08541	3.6
121.10105	2.8
123.11662	12.3
124.99956	8.0
131.08534	7.7
133.10135	2.3
135.08054	2.3
135.11647	2.9
137.13240	8.5
149.13182	2.0
153.01793	9.4
159.11746	1.9
173.13232	2.3
184.07353	17.6
185.55144	1.7
198.27188	1.7
209.15289	2.0
215.06952	7.2
243.06442	3.0
253.04854	1.9
271.05945	98.8
279.23120	33.3
325.00659	1.9
346.68561	1.6
491.43378	1.7
518.38446	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	518.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16386	7.9
51.12838	8.5
55.05441	50.9
57.03374	11.3
57.07004	47.0
58.06804	7.4
67.05418	17.6
67.56123	8.6
68.03881	7.5
71.08546	19.5
76.89168	8.2
79.05393	11.4
81.06997	21.5
83.08535	41.0
83.12414	9.6
85.10080	9.9
88.58697	8.1
94.35099	9.0
95.08534	11.8
97.10093	86.9
107.07005	8.3
107.08575	14.0
109.10120	9.0
125.09600	100.0
171.84760	10.1
189.11298	35.2
227.12732	86.9
245.13791	22.8
271.06027	44.9
313.27350	37.9
335.37582	10.5
343.10098	10.0
470.53207	9.3
483.36816	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.113
Annotation	Apigenin 5-(6'-malonylglucoside)
Peak:m/z	Relative Intensity
64.32971	0.1
67.01781	0.2
68.99707	0.6
69.03339	0.1
76.77266	0.1
83.04896	0.2
85.02808	0.2
89.03814	0.1
91.05402	2.2
92.10258	0.2
105.06987	0.2
107.04894	0.2
111.00753	0.6
112.27287	0.1
115.05464	0.1
117.06989	0.1
119.04895	1.3
121.02795	0.3
125.05934	0.1
126.73604	0.1
127.03829	0.2
129.06917	0.1
131.04898	0.7
131.08537	0.2
133.02844	0.2
133.06483	0.2
135.04402	0.1
137.02310	0.2
141.06956	0.8
144.51111	0.1
145.02827	1.8
145.06529	0.2
145.10132	0.2
147.04326	0.1
147.08011	0.2
149.02312	3.8
150.03073	0.1
151.25513	0.1
153.01796	10.1
158.70598	0.1
159.04393	1.4
159.08089	0.4
165.01761	0.9
169.06454	1.4
173.06000	0.4
173.09645	0.2
175.07515	0.2
181.06479	0.2
183.02815	0.1
183.04262	0.1
187.03903	0.2
187.07513	0.5
191.03461	0.2
197.05919	1.8
210.43385	0.1
215.06989	8.7
216.07289	0.1
225.05461	0.8
227.07140	0.2
243.06473	5.6
244.06805	0.1
247.05887	0.1
253.04874	3.0
271.05951	100.0
272.06265	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	519.1128
Annotation	Apigenin 5-(6'-malonylglucoside)
Peak:m/z	Relative Intensity
53.46148	0.2
63.94504	0.2
67.01766	0.2
68.99693	0.7
73.73352	0.1
74.80692	0.2
91.05413	2.1
111.00745	0.2
114.07854	0.2
119.04885	0.4
121.02781	0.3
127.03894	0.4
141.06946	0.3
145.02811	2.3
145.06456	0.2
149.02322	3.4
153.01794	9.2
153.26752	0.2
159.04362	1.4
159.07983	0.2
165.01772	0.9
169.06479	1.1
187.03900	0.3
187.07442	0.4
197.05930	1.6
198.06351	0.2
215.06990	8.9
216.07539	0.2
225.05406	0.7
243.04039	0.2
243.06464	5.5
244.06808	0.2
253.04887	2.6
271.05951	100.0
272.06287	4.2
352.66809	0.2
433.11288	0.3
519.11072	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1132
Annotation	Apigenin 5-(6'-malonylglucoside)
Peak:m/z	Relative Intensity
52.38643	0.2
53.03880	1.4
55.01802	1.0
55.05445	1.1
56.04968	0.2
56.86509	0.2
57.03376	0.9
59.51641	0.2
64.77392	0.2
67.05409	1.5
68.99713	0.5
69.03349	3.2
69.06993	0.4
70.06504	1.7
71.04921	0.4
72.08051	0.4
73.02828	0.5
76.15200	0.2
79.05396	1.0
81.03343	2.8
81.06973	1.9
83.08556	0.2
84.04429	1.3
84.08080	1.7
85.02831	5.8
86.09618	0.5
87.00745	1.8
91.05402	2.6
93.06964	1.5
95.08546	1.6
97.02836	2.5
97.06454	0.2
99.04398	1.0
100.49532	0.2
105.01831	1.0
105.03338	1.4
105.06950	1.3
107.08542	1.1
109.02803	2.5
109.10102	0.9
110.07082	0.4
111.00720	0.2
116.27260	0.3
116.98545	0.3
117.06931	0.3
119.04909	2.1
119.08537	0.4
121.02777	0.4
121.10084	1.4
123.11652	0.3
127.03870	2.2
129.01866	0.3
129.10207	0.5
131.04999	0.2
131.08484	0.3
133.10080	0.8
135.11658	0.5
137.09529	0.2
141.07048	0.3
145.02806	1.1
145.04974	0.2
147.04376	3.8
147.11656	0.3
149.02312	2.5
149.13249	0.3
151.03856	0.3
153.01816	7.2
153.03035	0.3
159.02823	1.1
159.04381	1.3
159.08020	0.3
161.02945	0.5
165.01787	1.0
169.06438	1.2
174.18509	0.4
175.18716	0.2
187.07443	0.3
197.05919	1.3
201.05565	0.2
215.06982	5.7
216.85432	0.2
217.19580	0.3
225.05548	0.3
237.02992	0.3
243.06462	3.8
246.63100	0.2
253.04915	1.4
255.06360	0.2
271.05957	100.0
272.06241	2.2
355.98169	0.2
384.94040	0.2
400.63385	0.2
519.11047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1133
Annotation	Apigenin 5-(6'-malonylglucoside)
Peak:m/z	Relative Intensity
55.01829	0.0
65.03857	0.2
68.09352	0.0
68.99695	0.1
70.06493	0.1
71.01257	0.1
78.02754	0.0
79.01772	0.1
81.03320	0.1
84.04438	0.0
84.08051	0.1
85.02823	0.1
89.03805	0.1
91.05396	0.5
92.10330	0.1
93.03323	0.3
97.02813	0.2
105.03317	0.2
107.01261	0.4
107.04906	0.0
109.02802	0.1
110.03676	0.0
115.05403	0.2
117.06950	0.2
119.04926	0.6
121.02812	0.3
125.02301	0.5
129.06923	0.1
131.04860	0.1
131.08496	0.1
133.02844	0.3
134.03625	0.2
137.02293	0.2
139.85081	0.0
141.06961	2.0
142.54764	0.0
145.02818	2.2
145.06480	0.5
147.04390	0.1
149.02342	0.4
152.06154	0.1
153.01797	4.2
153.06940	0.2
155.04816	0.1
157.06438	0.1
159.07983	0.2
161.02286	0.1
165.01793	0.1
168.05745	0.1
169.06448	6.6
170.06767	0.1
173.05978	0.3
181.04924	0.1
181.06461	0.2
183.04308	0.1
187.07507	0.3
197.05940	7.3
198.06357	0.2
201.05383	0.1
210.74371	0.1
215.06996	10.3
216.07423	0.1
225.05415	2.9
226.06111	0.1
227.06982	0.3
242.05591	0.1
243.06458	2.7
253.04895	2.2
254.05415	0.1
271.05951	100.0
272.06281	2.0
519.11359	0.1
546.40759	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1128
Annotation	Apigenin 5-(6'-malonylglucoside)
Peak:m/z	Relative Intensity
53.03884	0.1
55.01798	0.2
55.15765	0.1
55.92086	0.1
60.47914	0.1
62.63845	0.1
65.03863	0.1
66.43811	0.1
68.99709	0.2
69.03334	0.2
70.06514	0.8
70.95580	0.1
81.03336	0.2
84.04436	0.3
84.08045	0.2
85.02817	0.2
86.09618	0.2
89.03834	0.1
91.05408	0.2
93.03326	0.1
97.02832	0.2
103.05431	0.1
105.03335	0.6
107.04912	0.1
109.02833	0.1
110.07108	0.1
115.05382	0.1
117.03302	0.2
117.06974	0.2
119.04884	0.2
121.02770	0.1
123.07996	0.1
125.02309	0.2
127.03870	0.1
133.02814	0.2
133.10104	0.1
134.03600	0.1
135.04387	0.2
137.02307	5.8
141.06985	1.6
144.05685	0.1
145.02814	1.6
145.06435	0.1
149.02316	0.1
149.09573	0.4
151.03897	0.2
153.01802	2.3
155.04832	0.4
157.06410	0.1
159.07996	0.2
161.02295	1.1
165.01799	0.1
169.06438	4.4
173.05937	0.5
175.03915	0.1
177.05399	0.1
181.06456	0.6
183.04408	0.5
187.07457	0.9
193.04910	0.2
197.05936	6.3
198.06357	0.1
200.04703	0.2
201.05386	0.8
207.13843	0.2
213.05412	0.1
214.05965	0.1
215.06992	10.2
216.07391	0.2
216.13254	0.1
225.05403	8.1
226.05859	0.1
242.55861	0.1
243.06462	2.0
253.04866	4.5
270.04996	0.1
271.05945	100.0
272.06250	2.8
519.10895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55017	0.1
53.00253	0.2
53.03870	0.3
54.33219	0.1
55.01811	0.9
55.05445	2.9
55.60685	0.1
55.76044	0.2
56.18113	0.2
57.03378	1.3
57.07011	4.6
59.04935	1.3
61.02874	0.2
65.03872	0.8
67.05428	17.0
69.03350	5.2
69.06989	1.6
70.06508	1.6
71.04908	1.3
71.08546	0.2
74.81056	0.1
75.04392	0.2
77.03838	0.2
79.05412	1.1
81.03332	0.7
81.06974	3.5
83.04893	2.0
83.08540	0.7
84.04427	0.9
84.08064	0.4
85.02826	3.9
85.06464	10.4
86.09635	0.4
87.04386	1.2
91.05397	2.4
93.06966	6.5
95.04910	2.7
95.08531	100.0
96.08842	1.8
97.02808	1.6
97.06446	0.9
103.05401	0.2
105.06271	0.2
105.06968	5.3
107.04893	0.4
107.08535	8.8
109.02787	0.2
109.06458	2.9
109.10109	1.8
110.07123	0.3
111.04399	0.2
111.08052	1.1
113.05952	8.3
115.03890	1.0
119.08534	15.7
119.28589	0.2
120.08018	0.3
121.06458	1.2
121.09224	0.2
121.10090	6.7
123.08018	30.7
123.11651	2.5
124.08356	0.3
125.09566	0.7
127.03871	0.8
127.07536	0.3
131.08537	2.1
133.04901	0.9
133.06459	1.0
133.10089	2.7
135.08047	0.9
135.11655	11.6
136.12047	0.3
137.02264	1.7
137.09575	2.2
137.13205	1.0
139.07532	0.4
141.09102	0.4
143.08504	0.3
145.04930	0.2
145.10088	0.7
147.08029	1.6
147.11670	5.7
149.09593	30.5
150.09918	1.0
151.07509	1.3
151.11105	0.2
151.14784	2.6
156.09331	0.8
159.07968	0.3
160.08882	0.3
161.09587	1.2
161.13220	9.9
162.13489	0.2
163.11151	4.2
165.09067	0.4
165.12720	6.3
169.06456	0.3
171.11679	1.8
174.10371	1.9
179.14287	2.2
181.04881	0.2
187.07382	0.2
189.12703	11.8
197.05971	0.3
207.13763	52.8
208.14075	1.9
215.06972	1.4
225.05424	1.5
225.14841	3.2
253.04849	0.4
260.83380	0.2
271.05945	13.9
272.06180	1.3
354.94644	0.2
469.35547	0.2
542.27795	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	520.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87997	0.2
53.03885	3.8
54.13860	0.2
55.01805	1.5
55.05438	2.5
56.96510	0.3
57.03364	1.7
57.07014	0.2
57.54587	0.2
59.04937	0.6
60.37594	0.2
61.02855	1.7
67.05433	1.3
69.03345	10.1
69.06988	0.4
70.06507	5.7
71.04907	3.2
72.08072	1.0
73.02818	1.6
79.05409	1.4
81.03334	10.2
81.06977	1.7
83.04436	0.5
83.04901	10.9
84.04431	1.8
84.08055	1.9
85.02824	32.3
85.06488	0.2
86.03211	0.3
86.09624	1.0
87.00748	1.3
87.04387	0.4
88.59533	0.3
91.05405	4.1
93.06970	6.6
93.79739	0.2
95.04899	2.2
95.08520	0.6
97.02821	15.2
97.06484	0.2
98.05992	0.3
99.04385	26.2
101.05949	0.3
103.03873	25.3
105.01816	0.5
105.06977	4.6
107.04900	0.9
107.08536	24.7
109.02827	22.3
109.06487	2.0
109.10087	2.1
110.07112	0.6
111.04363	0.3
115.03856	0.4
116.01609	0.4
117.06988	0.4
119.04876	2.4
119.08535	3.3
120.08028	0.5
120.09369	0.3
121.02818	0.4
121.06438	2.6
121.10088	0.5
123.04372	1.2
123.11665	1.1
127.03874	51.4
129.10202	0.3
131.08513	1.1
133.06497	0.3
133.10092	25.4
134.10451	0.4
135.04362	0.3
135.08121	0.4
135.11656	25.8
136.12015	0.4
137.02303	3.2
137.05936	1.1
137.09558	1.5
143.08594	0.3
145.02864	0.5
145.04932	8.9
147.04364	4.6
151.03909	0.3
151.11140	2.0
153.01807	7.2
158.02666	1.0
159.11714	0.3
161.09578	15.1
163.03920	0.3
163.05983	5.5
165.01830	0.4
171.02940	0.3
175.03987	0.3
177.05367	0.4
179.10629	45.7
180.10909	1.0
181.04878	0.4
183.02777	0.3
187.05966	1.0
194.12767	0.3
197.11690	100.0
198.12050	2.7
207.06371	0.4
219.10147	0.3
227.09056	0.3
229.07307	0.5
231.05064	0.4
243.02856	0.3
245.10164	3.4
247.08476	0.3
249.03630	0.3
253.06960	1.0
255.06451	1.1
256.26547	0.3
271.05850	3.9
271.08203	1.4
272.06259	6.3
272.08893	0.4
273.07538	9.1
274.22137	0.2
289.09100	2.0
307.10095	2.1
359.16962	2.5
373.17667	0.5
383.17105	0.6
401.18185	1.3
441.20956	0.6
443.18832	0.3
449.17545	1.1
467.12622	0.4
467.19012	13.3
485.20111	6.3
503.21124	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	520.267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78416	1.8
54.81923	2.4
55.05457	20.9
57.03370	9.1
57.06998	2.6
60.04450	15.2
65.03840	2.2
65.53036	2.1
67.05428	52.3
69.06987	20.2
70.02872	4.0
71.04913	2.3
75.71161	2.0
79.05403	30.5
81.06973	54.4
83.08546	4.2
86.09647	4.2
88.03916	100.0
91.05414	20.4
93.06969	38.7
95.04897	3.6
95.08536	37.0
97.10081	3.4
98.98397	82.0
104.10703	3.6
105.06957	11.2
106.04984	26.3
107.08528	24.1
109.06548	2.5
109.10096	12.1
116.99597	2.6
119.08531	10.9
121.10104	10.4
122.55711	1.9
124.99956	3.0
131.08562	9.4
133.10143	8.7
135.11688	9.6
144.59834	2.2
147.11696	3.3
149.13260	3.3
155.01018	10.7
161.13206	2.4
173.02066	9.6
184.07353	13.9
199.62782	2.3
261.22125	12.7
271.05972	28.9
272.06308	33.0
273.06683	3.7
335.25681	61.4
340.53687	2.3
348.25214	3.6
415.22104	4.1
520.39594	3.5
534.02228	2.3
549.97095	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	520.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22925	0.4
60.08095	7.4
67.05441	0.6
71.07275	2.6
73.21848	0.4
77.77257	0.4
79.79976	0.5
81.06962	0.5
86.09627	47.0
91.68005	0.4
93.42981	0.4
93.89386	0.5
95.08535	0.5
97.29187	0.4
98.98396	4.0
104.10690	3.6
124.99960	32.5
134.43983	0.4
184.07301	100.0
184.73112	0.4
185.07690	0.4
304.12177	0.5
520.34082	4.1
530.03363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81827	0.7
56.04955	1.0
58.06527	0.9
60.08097	23.7
67.05430	5.1
69.06949	1.1
71.07290	10.0
79.05405	0.6
79.87791	0.9
81.06963	4.8
86.09625	71.6
95.08523	3.0
98.98400	8.1
104.10677	100.0
104.89343	0.8
124.98571	1.0
124.99965	40.4
182.73076	0.8
184.07301	96.1
258.10852	1.0
329.46356	0.9
412.60147	0.8
481.75488	0.7
502.32672	7.4
520.33862	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	521.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	7.4
55.01817	7.0
57.03150	0.4
57.03374	6.3
61.02848	4.8
61.88352	0.5
67.01794	0.6
68.99697	4.8
69.03351	20.9
70.06519	0.7
71.01242	0.5
71.04919	4.9
73.02827	7.2
77.05693	0.5
78.70973	0.5
81.03337	28.8
83.01270	0.8
85.02829	44.8
87.00751	25.1
91.03876	1.3
91.05395	3.4
92.11015	1.1
93.06959	0.6
95.04888	2.8
97.02824	20.8
97.99813	0.5
99.04393	10.9
105.01817	9.1
107.04865	1.3
109.02831	17.9
117.01793	6.0
119.04889	13.7
121.02813	1.0
123.04389	4.6
127.03880	22.8
129.01790	3.4
137.05899	0.6
138.92705	0.5
140.05774	0.5
145.04936	7.2
147.04390	50.3
151.03922	1.2
153.01805	90.0
154.02109	0.7
159.02856	11.6
165.01764	0.8
169.06526	0.7
171.02835	5.1
177.01782	1.1
179.03476	0.6
183.02800	1.0
189.05464	1.2
191.03358	2.6
195.02861	15.3
197.05815	0.7
213.03809	1.0
215.03340	1.0
216.07314	1.1
219.02832	4.7
231.04883	1.3
233.04390	0.9
255.06581	0.7
261.03891	6.5
271.05942	7.6
272.06329	7.8
273.07526	100.0
274.07773	2.8
297.07431	3.3
315.08636	4.4
339.08691	4.1
365.05289	0.8
381.09402	3.8
453.34158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00233	0.5
53.03664	0.5
53.03884	7.0
54.36806	0.4
55.01555	0.4
55.01810	10.2
55.93512	0.3
56.91998	0.3
57.03369	7.2
59.12520	0.3
60.76622	0.4
61.02850	5.7
65.03875	0.4
67.01775	1.4
68.99706	5.5
69.03346	21.7
70.06507	5.5
71.01199	0.3
71.04910	4.5
72.08070	0.7
73.02828	7.2
81.03333	27.7
83.01255	0.9
83.04882	0.5
84.08052	1.8
84.74358	0.4
85.02822	51.8
86.09608	0.9
87.00746	24.7
87.04372	0.7
87.05497	0.4
91.03883	3.1
91.05410	3.8
93.06953	0.5
95.04900	0.7
97.02813	22.8
99.04383	11.8
100.04708	0.4
102.05476	0.4
103.03877	1.8
105.01806	11.4
107.04884	2.6
107.08517	2.1
109.02824	19.1
115.03891	0.6
117.01807	5.3
119.04893	13.0
120.08000	0.5
121.02795	0.7
123.04388	5.0
125.02329	0.5
127.03871	25.1
128.04179	0.5
129.01796	3.5
129.10204	0.6
133.10077	2.0
135.11594	1.0
136.07565	0.7
145.04919	8.9
147.03018	1.4
147.04378	45.9
151.03860	0.7
153.01794	88.0
154.02161	0.9
159.02846	15.1
161.09528	0.6
165.01837	0.7
171.02853	3.7
177.01797	2.1
179.03317	0.8
179.10640	0.7
183.02841	1.6
191.03308	3.3
195.02864	12.4
197.11716	4.9
198.12012	0.7
207.06516	0.5
215.03427	0.6
219.02878	3.4
231.04967	2.2
233.04388	0.5
239.53853	0.4
243.02867	0.7
255.06454	3.3
256.06592	0.6
261.03885	5.1
273.07501	100.0
274.07758	3.4
297.07632	3.2
315.08499	3.8
323.08185	0.4
339.08621	2.3
363.08630	0.9
365.05136	0.5
381.09491	3.5
383.06094	0.6
407.94077	0.4
453.12152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92371	0.3
53.03883	0.7
55.01802	0.7
55.69041	0.3
57.03363	0.8
61.02843	0.3
64.90342	0.3
67.01802	3.3
68.33506	0.3
68.99704	1.9
69.03356	3.9
71.04890	0.5
79.18417	0.3
79.23179	0.3
81.03346	4.4
85.02830	6.8
87.00755	3.1
91.05385	1.7
95.04893	0.7
97.02851	3.2
99.04365	0.6
105.01801	0.6
105.31800	0.3
107.04880	1.3
109.02827	3.3
111.00756	0.4
119.04903	8.4
120.05205	0.3
121.02843	0.5
121.06438	1.3
123.04350	2.2
125.02283	0.5
127.03886	3.6
128.19092	0.3
129.01805	0.8
145.04945	1.4
147.04398	24.7
149.02332	0.4
150.49860	0.3
151.03853	0.3
153.01807	100.0
154.02184	1.2
155.56656	0.3
159.02846	1.8
171.02853	26.2
179.03322	1.3
189.05327	0.5
195.02930	0.6
231.06714	0.6
236.71724	0.4
270.04001	0.3
271.05966	13.4
272.06302	16.7
273.07547	56.0
274.07870	1.3
344.35129	0.3
368.81906	0.3
397.93304	0.3
404.14813	0.3
521.11780	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	1.1
54.81142	0.9
55.01805	1.8
56.04971	1.3
56.17430	0.6
57.03365	1.7
61.01037	0.7
61.02845	3.3
68.99699	4.8
69.03351	1.2
70.06513	10.0
72.08060	0.8
73.02833	1.4
79.05396	1.7
81.03332	1.0
84.04432	6.6
84.08067	5.5
85.02826	12.2
86.09631	15.5
87.00745	4.5
87.09980	0.9
91.05403	3.7
95.04873	2.6
95.49426	0.7
101.07094	0.8
102.05468	1.1
103.03850	4.1
103.05424	0.8
105.03323	4.0
107.04896	87.6
107.29531	0.7
109.02811	0.9
109.53284	0.6
110.07101	3.2
113.75966	0.7
114.35850	0.8
117.03337	2.9
119.04900	4.1
120.08070	2.4
121.02799	8.7
123.04369	1.3
127.03839	0.9
129.01797	3.0
129.10216	0.8
131.04851	2.9
132.10143	4.2
133.02844	1.4
135.04361	4.4
141.37082	0.8
145.02864	6.2
147.03070	0.7
147.04372	5.3
149.02278	5.1
151.03909	7.1
152.06148	1.1
157.06400	1.0
159.04311	0.7
161.02332	9.3
161.05942	0.7
163.03827	1.2
165.06932	3.5
167.03383	9.3
167.08505	4.5
175.03932	2.6
177.05418	4.1
177.06973	3.7
179.03368	12.1
180.03777	0.8
181.04878	3.7
181.06294	1.9
183.07996	3.8
185.05765	0.7
185.09480	1.1
191.72704	0.7
193.06340	0.9
194.07259	0.8
195.07988	11.4
197.05925	1.4
199.03911	1.1
201.05400	1.1
211.07474	4.2
212.08292	1.2
213.09100	2.8
223.07542	29.7
225.05463	5.3
225.09044	1.5
226.06221	1.6
233.05859	0.7
235.07500	0.8
236.08261	0.8
237.08977	1.7
239.07002	14.4
240.07661	4.9
241.08540	18.4
245.04385	0.9
247.07431	1.5
251.06976	8.4
251.10696	0.8
252.07698	1.2
253.08406	1.1
263.07144	0.8
265.08417	4.1
267.03659	1.4
267.06461	34.4
268.07211	19.2
269.08017	18.1
279.06512	16.5
279.09576	1.4
281.08017	5.7
283.08420	3.8
289.08395	1.1
291.06409	1.2
292.07147	1.5
293.08118	6.7
295.05969	1.2
297.07516	100.0
298.07730	2.9
299.09134	1.6
300.09375	1.2
307.06339	1.1
307.09473	8.0
309.07431	1.1
311.08972	0.9
317.08038	1.5
321.07507	19.2
335.08942	4.4
339.08856	0.8
347.09116	1.1
351.08438	1.1
351.96155	0.8
363.08499	12.5
364.08813	0.7
367.10593	1.1
381.09531	4.2
399.10767	0.8
402.90646	0.9
417.11777	1.5
423.10425	4.2
427.12726	2.8
441.11697	1.6
467.09619	8.0
485.10678	9.9
503.11676	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	521.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78946	0.8
55.01800	3.3
56.04968	1.4
56.96469	0.8
57.03368	3.5
57.12175	0.7
61.02855	1.4
65.03848	1.4
68.99711	4.1
69.03368	1.0
69.06969	0.9
70.06206	0.8
70.06515	16.0
75.22512	0.8
76.46928	0.7
79.05421	1.5
81.03321	1.8
84.04428	8.0
84.08071	4.9
85.02834	18.3
86.09628	7.1
87.00751	6.6
91.05405	4.3
95.04887	3.2
97.02831	2.0
101.82903	0.9
102.05447	1.3
103.03883	3.6
105.03317	1.4
107.04906	100.0
109.02821	1.7
110.07083	2.9
117.03307	1.4
119.04909	3.9
119.08575	1.1
120.08052	1.3
121.02827	11.2
123.04415	1.4
124.33002	0.7
127.03876	6.2
129.01788	3.2
129.10176	1.3
131.04868	3.3
132.10175	1.3
133.02910	0.8
135.04401	6.4
136.07483	0.9
137.06017	1.0
145.02831	6.7
145.06387	1.0
147.04372	5.6
149.02333	5.8
149.05986	0.9
149.09590	1.0
151.03882	6.8
152.06195	1.2
153.06943	0.9
157.06433	1.4
161.01102	1.1
161.02289	9.8
163.03825	1.3
165.06966	6.5
167.03386	10.0
167.08540	7.0
169.06436	1.4
169.09735	0.9
173.02211	0.9
175.03848	3.4
177.05437	3.8
177.06950	6.1
178.07687	0.9
179.03354	13.8
179.08456	1.2
181.04919	1.9
181.06403	2.0
183.08011	3.4
189.03876	1.8
189.05402	1.6
191.03278	1.0
193.06468	1.1
194.07280	1.4
195.08057	14.1
197.05911	1.6
199.03947	1.5
203.03426	1.5
205.06477	1.1
209.09471	0.9
211.07520	6.2
212.08342	1.4
213.09116	4.9
221.05882	1.6
223.07573	36.4
225.05428	6.6
225.09026	1.1
226.06165	4.9
227.03424	1.1
233.09540	1.6
236.08110	2.6
237.09109	5.4
239.06970	33.2
240.07654	4.5
241.08565	28.9
247.07487	1.2
251.07043	8.7
251.10594	1.6
252.07658	0.9
253.08612	1.3
263.07172	1.2
265.08508	3.6
267.06451	32.0
268.07196	18.2
269.08060	22.6
279.06454	15.1
279.09521	1.2
281.08084	6.0
283.08652	1.6
289.08600	1.8
291.06467	1.1
292.07114	1.5
293.07974	5.4
295.06012	1.4
297.07541	92.6
298.07874	3.8
299.09082	1.7
305.07974	2.1
307.09573	9.7
315.08881	0.9
321.07541	15.1
323.09024	5.7
335.09036	6.2
351.08563	1.8
353.10211	3.4
363.08557	12.0
381.09460	4.5
399.10617	1.0
423.10355	4.5
424.36288	0.9
441.11456	1.8
467.09427	6.6
475.12228	6.3
485.10840	8.4
503.11786	12.2
504.11423	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08191	1.0
51.54523	1.1
52.95178	1.0
55.01818	2.6
55.05440	1.8
56.96499	17.2
57.03363	1.7
60.04458	1.9
61.02865	1.0
67.05422	1.2
68.99721	1.1
69.03346	7.5
69.06984	2.3
70.06506	6.0
72.08060	1.2
73.02842	1.1
78.83263	1.0
79.05392	2.2
81.03336	7.0
81.06960	2.6
84.04430	5.4
84.08073	4.7
84.95968	6.2
85.02835	13.2
85.08416	1.1
86.09645	1.9
87.00748	5.2
87.62332	1.1
91.05408	2.7
93.06958	4.7
95.04894	1.4
95.08521	2.6
97.02830	4.5
97.96726	1.6
98.96894	2.4
98.97517	51.0
99.04424	1.4
105.06928	1.5
107.08535	2.2
109.02821	4.6
110.97514	6.5
116.98570	48.3
118.13391	1.2
119.04870	6.7
121.10148	1.8
122.02123	1.0
123.04406	1.6
127.03892	5.0
128.98570	19.6
129.98961	1.1
131.00188	4.1
134.99626	26.6
135.11687	1.9
135.28510	1.0
137.02296	1.9
143.00160	4.8
144.97995	1.5
146.99625	24.7
147.04382	30.0
149.01192	1.7
153.00697	4.6
153.01804	50.2
158.99634	12.1
159.02872	1.9
161.01201	10.5
162.99117	2.8
163.03827	1.6
165.00684	1.8
170.99652	12.9
171.02832	6.2
173.01176	1.7
177.00685	22.6
179.02254	1.9
181.76384	1.2
189.00620	10.4
191.02269	1.7
195.01721	1.4
201.00661	2.4
203.09509	1.3
212.31665	1.4
219.01736	13.8
237.02786	47.4
245.10452	2.6
249.02750	5.6
255.03740	2.6
269.10425	1.4
271.05890	13.6
272.06293	18.2
273.07510	38.9
274.07840	2.0
281.10455	1.8
329.12790	2.7
341.12766	1.8
347.13690	38.1
359.13809	1.2
405.37650	1.3
461.16864	100.0
462.17221	2.2
521.19147	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40118	0.1
55.05446	1.2
56.04967	1.1
62.00975	0.1
70.06499	0.8
70.23123	0.1
71.33541	0.1
74.02317	0.1
77.25489	0.1
77.69730	0.1
79.05402	0.7
80.61944	0.1
83.08531	0.9
84.04424	29.1
84.08046	0.2
85.02811	0.8
85.78844	0.1
86.09637	0.2
90.29558	0.1
91.00363	0.1
91.05390	1.2
91.53356	0.1
93.06953	0.9
100.11179	11.5
102.05459	1.0
103.05400	5.7
107.04896	3.3
119.04878	0.5
120.08053	100.0
121.06436	0.2
121.08401	1.5
130.04971	4.3
131.04897	4.5
135.80190	0.1
136.07542	3.1
144.00523	0.1
149.05957	2.7
166.08592	25.3
167.09012	0.3
168.08105	0.1
184.07513	0.2
185.10677	0.2
186.09105	7.9
209.16449	1.7
227.17485	4.0
232.09595	4.9
263.69727	0.2
278.10199	3.2
282.07010	0.1
286.22516	0.1
295.12830	23.3
295.16183	0.8
296.13071	0.6
301.06873	0.2
413.38000	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	521.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	3.3
55.05455	16.6
56.04975	1.7
56.96508	2.5
57.07011	3.0
58.53956	1.6
67.05427	37.2
69.03344	11.8
69.06985	31.2
70.06502	11.0
71.04903	4.0
72.08050	1.9
79.05412	20.3
81.03331	2.9
81.06973	100.0
83.08532	8.5
84.04433	7.8
84.08067	12.8
85.02818	21.5
85.06472	9.9
86.09618	8.8
87.00784	2.4
91.05397	14.4
93.06969	48.8
95.04903	8.4
95.08530	84.6
97.02837	6.7
97.10100	7.5
98.97506	7.7
99.04365	3.7
99.08039	3.7
105.06982	17.5
107.08533	53.4
109.02909	1.9
109.06470	3.1
109.10107	70.3
110.07113	7.9
111.11647	2.2
116.98582	9.6
119.04877	2.7
119.08534	23.7
121.10104	26.6
123.08021	3.1
123.11642	29.5
125.09623	3.2
127.03898	8.0
127.11161	27.9
128.98573	2.9
129.10196	4.3
133.10075	15.9
134.99648	4.3
135.11646	31.7
137.13258	3.3
145.04956	4.2
145.10083	3.1
146.99591	7.0
147.04402	12.4
147.11664	11.4
149.13194	22.3
149.14171	1.6
153.01834	4.0
157.06769	2.2
159.11673	2.7
161.01302	2.0
161.13284	8.7
163.11177	2.3
163.14789	11.2
171.11734	2.5
175.14804	3.0
177.16382	7.6
184.07329	2.6
189.16507	2.8
203.17915	8.1
221.19037	7.4
237.02827	10.4
259.24194	4.0
269.22662	2.7
271.03183	1.8
271.06024	13.8
272.06317	11.8
272.08963	2.1
273.06628	11.0
277.25192	11.9
287.23575	9.7
305.24677	52.5
323.25858	3.0
347.13629	4.4
389.44214	1.9
401.50217	2.0
461.16626	7.0
467.29895	3.7
526.68549	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	522.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	1.2
53.03873	1.0
53.72527	1.0
53.99003	1.0
54.81631	1.2
55.01812	1.5
55.05455	23.4
57.03377	10.0
57.07006	5.5
59.91785	1.0
60.04459	20.4
62.42420	1.2
67.05075	2.2
67.05428	55.8
67.05787	2.1
69.06981	25.0
70.02873	4.8
70.23134	1.0
71.04898	1.7
71.08558	1.4
79.05417	14.3
81.06973	55.9
82.07378	1.0
83.08542	11.9
83.39280	1.1
84.04408	1.2
85.02802	1.3
85.06476	1.5
86.09630	12.4
88.03915	100.0
91.05415	9.2
93.06977	16.2
95.04895	1.5
95.08533	37.7
97.06460	1.9
97.10087	6.0
98.98397	71.2
104.10628	1.9
105.06959	9.5
106.04967	22.2
107.08518	8.3
109.10108	14.8
110.07055	1.3
116.99480	2.7
119.08539	6.6
121.10094	6.0
123.11656	5.8
124.99976	2.4
133.10080	5.2
135.11662	4.2
147.11670	1.9
149.13182	1.2
155.01035	21.4
162.88560	1.2
163.14783	1.3
172.95175	2.4
173.02054	9.6
175.14816	1.4
184.07297	13.9
245.22617	5.1
263.23645	14.6
304.26303	1.1
337.27280	73.7
338.27432	2.5
350.26877	8.6
417.23886	2.0
500.07257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	1.7
56.04942	0.8
58.06522	1.0
60.08094	23.2
67.05412	1.4
69.06978	4.5
69.12921	0.7
71.07291	6.9
81.06954	1.0
83.08530	1.3
86.09625	74.8
87.74145	0.9
95.08527	1.7
98.98392	6.0
104.10680	100.0
124.99958	43.5
140.95401	0.8
184.07300	91.8
185.07600	1.5
454.61609	0.9
499.33664	1.1
504.34235	5.3
522.35352	33.3
523.35425	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	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	0.7
56.10810	0.3
57.03373	0.4
58.06523	0.3
60.08094	9.5
67.05420	0.6
69.06952	0.5
69.63173	0.3
71.07288	3.9
71.08506	0.4
86.09628	48.1
87.09970	0.7
93.06992	0.5
95.08542	0.6
97.22365	0.3
98.98392	4.5
104.10689	5.9
104.70602	0.4
119.70898	0.4
124.99963	33.5
129.08910	0.4
142.48642	0.3
143.01019	0.5
175.41722	0.4
184.07303	100.0
185.07663	0.9
385.32098	0.5
392.88535	0.5
429.90576	0.4
522.35565	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	522.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31774	0.4
54.81796	0.4
57.06996	0.8
69.52984	0.3
79.05397	1.9
79.68420	0.4
86.09659	0.4
91.05405	3.5
93.06965	0.7
94.58653	0.5
95.04873	0.8
103.05433	0.4
105.06979	26.0
107.08563	0.8
117.07007	0.6
119.08547	18.4
120.08940	0.4
121.06470	24.6
133.06462	78.4
133.10072	3.5
134.06831	0.9
134.10870	0.7
135.08012	7.5
137.09604	15.9
137.51669	0.5
147.08038	10.1
147.09125	1.0
149.09567	2.1
149.13257	5.8
151.07532	7.2
159.11659	0.7
161.09592	5.1
161.57828	0.4
163.07539	0.7
165.09070	3.4
165.26279	0.5
177.09096	71.3
177.12706	100.0
178.09337	1.0
178.13042	2.7
241.12189	12.7
285.14813	30.3
286.15002	0.8
297.18307	0.6
341.20923	0.8
393.20749	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67105	0.2
53.03880	0.3
55.01811	0.9
56.04959	0.3
57.03372	0.3
61.02858	0.2
65.03850	0.2
69.03333	0.5
70.06511	3.9
72.08074	0.5
73.02840	0.3
79.05417	0.9
81.03343	1.2
83.01242	0.2
84.04433	2.1
84.08067	1.3
85.02837	2.2
86.09621	0.8
87.00758	0.8
90.23609	0.2
90.25085	0.2
91.05417	1.8
93.07013	0.2
95.01260	0.3
95.04898	3.4
97.02822	0.3
98.97501	0.2
99.04402	0.2
102.05483	0.2
103.03881	0.8
103.05390	1.1
105.03414	0.3
105.06937	0.3
107.04900	100.0
108.05226	1.0
109.02840	0.3
110.07108	1.0
112.08631	0.2
115.05410	0.3
115.08709	0.2
116.98553	0.2
119.04886	3.4
120.08073	0.8
121.02855	0.9
123.04391	3.5
127.03875	1.1
129.10204	0.4
131.04898	2.5
133.02826	0.3
133.06450	0.3
133.10136	0.2
135.04408	0.9
136.07538	0.3
137.02325	3.7
137.05943	0.9
138.02719	0.2
145.02878	0.2
145.06459	0.4
147.04376	2.7
148.52878	0.2
149.02313	0.9
151.03905	1.4
157.06372	0.3
159.04379	1.3
161.02298	2.1
161.05911	0.3
163.03853	2.4
165.05423	1.1
167.03352	3.8
171.04434	0.2
175.03891	2.7
177.05479	0.5
179.03383	3.1
179.08511	0.2
187.03828	1.1
191.03366	0.4
193.04921	1.9
201.05478	0.2
203.03331	2.4
205.05020	0.2
215.03398	0.9
217.04915	1.1
225.09015	0.3
229.08289	0.2
233.04468	1.2
241.08406	0.4
245.04446	0.9
247.05830	0.7
253.08571	0.8
257.07971	2.2
259.06012	0.4
263.05362	0.3
267.10150	0.2
269.07910	0.3
271.09662	0.3
281.08084	2.3
295.09570	0.5
299.09100	7.5
319.09402	0.3
323.09100	3.9
353.10196	0.9
365.09918	0.7
383.11127	1.0
401.12726	0.2
430.25018	0.2
494.06223	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	523.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38683	3.1
57.96749	3.2
60.08084	3.7
67.05411	3.8
67.14122	3.4
79.38860	3.5
81.06959	3.9
86.09637	15.2
99.05473	3.8
104.10621	5.5
105.06975	5.3
110.39775	3.4
124.99989	6.2
136.93077	4.0
145.10120	4.0
154.94160	21.8
172.55194	4.1
172.95195	100.0
184.07370	8.1
185.07545	5.7
190.96257	97.4
200.29565	4.3
202.64426	4.2
208.97482	4.0
210.96782	6.2
228.97810	37.2
246.98900	16.5
313.20593	5.5
331.21445	5.3
352.82260	4.0
449.19522	23.4
467.20651	6.4
471.96115	3.9
523.23523	60.5
524.23669	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	523.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81626	1.0
55.05448	0.9
56.74223	1.0
57.03383	1.6
57.07014	7.3
60.44789	1.0
67.05436	1.0
71.08569	2.0
81.06991	1.9
92.64011	1.0
95.08535	2.2
96.65527	1.2
99.29042	1.1
132.65155	1.1
144.40933	1.1
211.09433	9.2
313.27463	4.8
523.36005	100.0
524.36322	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	524.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	6.8
53.66544	4.2
55.01810	4.9
55.05449	22.3
56.96505	5.6
57.03362	4.4
57.07000	8.7
58.40648	3.6
60.68322	4.1
61.02864	5.1
67.05435	40.9
69.03333	19.3
69.06985	31.6
70.06509	7.2
71.04913	5.1
79.05407	100.0
81.03338	22.3
81.06976	54.9
83.04898	32.7
83.08540	17.7
84.04469	4.8
85.02831	39.0
85.06461	5.1
86.09621	6.2
87.00771	6.8
91.05396	10.4
93.06975	79.5
94.06500	4.4
95.04919	8.3
95.08533	60.4
97.02838	16.5
97.06482	5.9
97.10071	5.7
105.01792	6.4
105.03328	18.4
105.06982	8.1
107.08538	35.1
109.02816	8.0
109.06466	20.3
109.10042	16.2
119.08546	7.9
120.08103	8.4
121.10085	33.3
123.11709	5.0
125.05959	20.5
127.03902	19.3
129.05475	9.1
135.08006	7.8
135.11685	5.5
137.13242	8.4
139.07567	5.8
151.03841	9.9
163.14790	94.5
181.15877	32.0
205.15889	5.9
223.16927	45.4
241.17941	56.3
259.18912	5.6
301.14468	5.0
312.57614	4.5
331.27466	5.0
427.19354	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	524.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37273	1.8
55.05443	11.0
57.03370	4.7
57.07015	77.6
60.46921	1.9
67.05432	21.1
69.06991	21.2
70.45811	2.2
71.08190	2.9
71.08549	59.0
74.51379	2.1
81.06990	27.3
83.08529	21.6
85.02821	9.5
85.10106	31.9
95.01257	10.5
95.08537	38.2
97.10083	12.9
108.25787	2.3
109.10112	16.1
113.02324	3.0
123.11655	10.8
131.03352	2.4
141.01810	12.7
173.19366	2.7
178.47499	2.6
224.66092	2.2
239.23593	22.4
253.15735	2.9
257.24533	2.3
308.19525	2.4
313.27325	100.0
331.28424	23.9
352.54202	2.6
393.34091	2.6
399.94110	2.6
463.85818	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	524.3707
Annotation	enantio-PAF C-16
Peak:m/z	Relative Intensity
54.31815	0.3
55.15477	0.3
56.04975	0.4
57.03349	0.3
57.07021	0.5
60.08094	9.9
61.61354	0.3
69.06959	0.5
71.07289	4.5
71.08537	0.6
85.10059	0.6
86.09625	46.0
87.09949	0.4
95.08569	0.5
98.98382	4.0
104.10699	4.2
124.99957	37.0
130.24318	0.3
134.01590	0.4
143.01031	0.9
184.07298	100.0
185.07570	1.5
189.72247	0.4
446.88403	0.4
506.35626	0.6
519.50806	0.4
524.37085	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15110	0.5
52.23129	0.5
52.68665	0.6
54.01981	0.5
55.05444	0.7
56.04968	1.5
56.51154	0.6
57.03368	0.9
57.07008	4.6
60.08096	22.5
71.07286	8.1
71.08545	3.0
85.10101	0.9
86.09630	77.3
92.10921	2.6
97.10068	0.7
98.98392	5.6
99.34921	0.6
103.84567	0.7
104.10680	100.0
118.17225	0.7
124.99963	44.8
177.47995	0.9
184.07301	97.1
185.07700	0.7
341.30215	0.9
506.36148	6.4
507.35492	0.9
524.37012	36.9
525.37158	6.9
533.24359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	4.1
55.05449	11.9
56.04978	5.3
56.96503	3.4
57.03381	2.1
57.04807	1.8
59.04287	1.9
65.16886	2.0
67.05424	4.2
69.03355	9.7
69.06985	11.8
70.06513	61.8
71.04899	3.6
72.08081	18.8
74.06006	16.6
76.98362	2.3
79.05400	4.5
81.03336	5.4
81.06964	2.5
83.08540	2.7
84.04429	17.7
84.08078	16.6
85.02827	14.2
86.06006	4.0
86.09599	8.0
91.05420	18.1
93.06970	4.4
94.06492	14.9
95.04899	5.2
97.02826	4.5
97.06471	3.2
100.07566	2.9
100.11180	25.6
102.05483	3.0
103.05379	3.6
109.02813	3.4
109.10119	3.4
110.05997	4.3
110.07153	3.1
111.04389	3.6
112.07526	3.9
117.03287	2.6
120.08038	3.8
122.05994	33.5
123.04393	14.3
127.03889	4.3
127.57556	2.5
128.07082	3.2
129.10191	4.0
133.06361	2.6
136.07559	3.2
137.05951	15.5
137.09671	2.8
138.05457	3.8
139.08664	2.6
140.07040	45.5
144.04407	5.0
145.02826	10.7
146.05977	17.5
147.06715	4.0
151.03870	4.0
156.13812	4.6
162.05556	3.8
167.08083	3.2
170.86874	2.5
172.03925	61.1
174.05461	3.4
177.05447	9.5
181.04851	3.4
182.15393	12.1
182.59904	2.5
183.11229	17.3
190.05016	11.4
197.10765	2.9
204.06543	75.8
206.08101	20.0
210.14890	11.1
211.19438	2.5
223.08615	3.1
223.12263	5.7
225.10226	35.6
226.10681	2.8
235.08727	3.2
236.09381	15.6
237.10187	80.1
238.10747	4.9
239.11728	4.1
249.10155	11.3
250.07193	2.2
250.10887	12.3
251.08003	3.6
251.11749	54.5
252.08841	5.4
252.12416	3.5
253.09647	13.3
253.13416	3.6
255.11194	10.7
261.12433	3.7
264.09253	2.9
265.09683	100.0
266.10342	20.7
267.11279	41.9
271.05887	15.6
272.06290	10.8
279.11209	62.1
280.11853	4.6
283.10831	9.9
284.11453	4.5
285.12308	5.2
293.09195	63.1
294.09888	4.5
295.10703	38.3
297.07364	7.8
297.12262	25.2
307.10706	25.3
309.12225	4.9
311.10281	10.1
312.10907	9.1
313.11737	15.9
314.11847	2.8
325.11731	70.8
326.12567	9.1
331.12830	4.9
335.10202	53.8
345.14413	31.6
353.11230	98.5
354.11423	3.7
367.12735	3.3
372.63855	2.6
385.13916	27.3
406.74152	2.4
466.19626	15.5
482.11240	3.1
494.19083	78.0
495.18936	3.7
498.22202	3.7
508.20737	13.8
526.10260	4.1
526.21704	25.6
526.39447	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	526.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	4.1
55.05449	11.9
56.04978	5.3
56.96503	3.4
57.03381	2.1
57.04807	1.8
59.04287	1.9
65.16886	2.0
67.05424	4.2
69.03355	9.7
69.06985	11.8
70.06513	61.8
71.04899	3.6
72.08081	18.8
74.06006	16.6
76.98362	2.3
79.05400	4.5
81.03336	5.4
81.06964	2.5
83.08540	2.7
84.04429	17.7
84.08078	16.6
85.02827	14.2
86.06006	4.0
86.09599	8.0
91.05420	18.1
93.06970	4.4
94.06492	14.9
95.04899	5.2
97.02826	4.5
97.06471	3.2
100.07566	2.9
100.11180	25.6
102.05483	3.0
103.05379	3.6
109.02813	3.4
109.10119	3.4
110.05997	4.3
110.07153	3.1
111.04389	3.6
112.07526	3.9
117.03287	2.6
120.08038	3.8
122.05994	33.5
123.04393	14.3
127.03889	4.3
127.57556	2.5
128.07082	3.2
129.10191	4.0
133.06361	2.6
136.07559	3.2
137.05951	15.5
137.09671	2.8
138.05457	3.8
139.08664	2.6
140.07040	45.5
144.04407	5.0
145.02826	10.7
146.05977	17.5
147.06715	4.0
151.03870	4.0
156.13812	4.6
162.05556	3.8
167.08083	3.2
170.86874	2.5
172.03925	61.1
174.05461	3.4
177.05447	9.5
181.04851	3.4
182.15393	12.1
182.59904	2.5
183.11229	17.3
190.05016	11.4
197.10765	2.9
204.06543	75.8
206.08101	20.0
210.14890	11.1
211.19438	2.5
223.08615	3.1
223.12263	5.7
225.10226	35.6
226.10681	2.8
235.08727	3.2
236.09381	15.6
237.10187	80.1
238.10747	4.9
239.11728	4.1
249.10155	11.3
250.07193	2.2
250.10887	12.3
251.08003	3.6
251.11749	54.5
252.08841	5.4
252.12416	3.5
253.09647	13.3
253.13416	3.6
255.11194	10.7
261.12433	3.7
264.09253	2.9
265.09683	100.0
266.10342	20.7
267.11279	41.9
271.05887	15.6
272.06290	10.8
279.11209	62.1
280.11853	4.6
283.10831	9.9
284.11453	4.5
285.12308	5.2
293.09195	63.1
294.09888	4.5
295.10703	38.3
297.07364	7.8
297.12262	25.2
307.10706	25.3
309.12225	4.9
311.10281	10.1
312.10907	9.1
313.11737	15.9
314.11847	2.8
325.11731	70.8
326.12567	9.1
331.12830	4.9
335.10202	53.8
345.14413	31.6
353.11230	98.5
354.11423	3.7
367.12735	3.3
372.63855	2.6
385.13916	27.3
406.74152	2.4
466.19626	15.5
482.11240	3.1
494.19083	78.0
495.18936	3.7
498.22202	3.7
508.20737	13.8
526.10260	4.1
526.21704	25.6
526.39447	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	526.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	0.7
55.05457	1.0
57.03817	0.6
69.06978	4.9
70.06507	3.5
81.06989	0.9
84.08051	1.9
92.10920	1.1
94.06500	11.0
95.04885	1.4
104.21069	0.7
108.08041	0.9
116.04926	1.8
117.28070	0.8
120.04356	2.9
120.08067	0.8
122.05975	16.6
138.05463	2.0
140.07040	17.1
144.04431	4.1
146.05954	8.2
147.06747	1.4
149.08377	0.7
150.05441	1.7
152.07053	1.0
162.05482	1.4
172.03885	15.5
174.05458	6.6
176.07025	0.8
190.04968	7.5
191.05580	1.1
197.10762	1.8
204.06532	12.9
206.08073	1.3
208.09761	1.0
209.10750	5.0
211.12206	1.7
212.09438	3.4
216.10147	2.0
218.04488	1.0
222.07835	1.9
222.11409	0.9
223.08627	1.0
223.12302	5.4
224.09325	1.9
225.10202	14.4
226.10878	1.4
233.10677	1.3
234.09152	1.2
234.11455	1.1
235.08551	8.9
236.09311	13.8
237.10162	45.2
238.10835	4.8
239.11703	6.8
244.09908	0.9
249.10182	8.8
250.10907	8.4
251.08208	3.5
251.11732	48.7
252.08766	9.8
252.12521	4.9
253.09650	13.0
253.13286	2.9
255.11234	9.7
261.12421	1.2
263.11722	3.6
264.08884	1.8
265.09650	56.4
266.10449	10.2
267.11234	30.0
268.11636	1.2
278.06570	5.0
278.10181	1.6
279.11200	50.3
280.08447	0.9
280.11865	6.1
281.12781	5.1
282.09564	0.9
283.10696	6.7
285.12213	6.6
291.11252	1.6
293.09149	35.2
293.12457	1.1
294.09918	8.1
295.10684	32.3
296.11282	1.6
297.12283	13.9
307.10767	12.6
309.12277	9.3
311.10156	4.6
312.10858	4.3
313.11737	25.5
324.11044	1.8
325.11743	47.8
326.12341	3.9
331.12738	3.3
335.10208	29.2
336.10681	1.6
337.11703	1.3
345.14285	4.0
353.11237	100.0
354.11996	7.4
355.12778	1.5
371.12036	1.1
385.13873	12.0
385.18387	1.2
386.13831	1.3
418.60349	1.1
450.20123	3.5
452.17905	1.2
466.19873	3.2
476.18744	1.1
494.19104	76.7
495.19403	4.7
521.43671	1.0
526.21405	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	526.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10369	0.7
55.05444	1.0
56.04959	1.4
62.57062	0.8
65.03867	0.9
67.05450	1.5
69.03358	1.3
69.06976	7.9
70.06516	7.9
72.08072	1.7
77.66924	0.9
77.79983	0.9
78.20258	0.9
81.06980	1.6
84.04436	6.0
84.08075	12.4
85.02830	2.4
86.32895	0.9
94.06503	10.6
95.08595	1.4
97.02853	0.9
108.08094	1.2
110.07114	2.4
111.36026	0.9
112.07566	1.0
116.04884	1.5
118.06445	1.3
120.04440	5.3
121.05202	1.6
122.05994	20.0
123.92326	0.9
124.07495	1.0
127.08441	0.9
129.10191	4.7
138.05496	3.5
140.07062	20.7
144.04446	1.4
146.05986	8.0
147.06746	2.0
150.05481	1.1
154.08662	1.0
162.05508	1.2
172.03889	17.6
174.05487	7.2
177.15619	1.2
190.04955	10.3
192.06529	1.3
195.03719	0.9
197.10793	1.2
199.12260	1.2
199.34042	1.1
204.06511	15.5
206.08128	4.2
208.11375	1.2
209.10712	5.1
211.12267	1.4
212.09464	4.1
216.10136	3.9
222.07771	1.4
223.12279	7.0
224.09351	1.6
225.10204	18.4
226.10902	1.8
234.09207	2.0
234.11406	1.2
235.08710	10.2
236.09361	14.0
237.10190	39.9
238.10945	4.2
239.11713	6.3
249.10190	8.6
250.11017	8.1
251.07974	2.1
251.11740	52.7
252.08913	11.3
252.12357	6.0
253.09674	15.3
253.12975	1.6
254.10410	1.2
255.11279	7.8
261.12436	1.6
263.11804	4.0
264.08820	2.3
264.12674	1.1
265.09662	57.7
266.10367	8.7
267.11255	27.4
278.06503	6.8
278.09741	1.6
279.11206	53.7
280.11996	8.8
281.12747	4.2
282.10043	1.0
283.10715	7.6
284.11462	2.1
285.12283	5.7
293.09155	40.0
294.10046	9.4
295.10739	36.3
296.11218	1.6
297.12265	15.3
306.09943	1.6
307.10764	13.8
309.12280	8.8
310.12860	1.8
311.10278	4.1
312.10959	4.6
313.11783	28.5
324.11145	1.6
325.11777	61.7
326.12387	3.7
331.13040	1.9
335.10193	34.9
337.11813	4.9
345.14343	4.7
353.11243	100.0
354.11697	9.1
355.12506	1.9
381.14355	1.1
385.13855	12.6
422.20560	1.2
452.17841	1.3
466.19702	4.3
476.17664	1.9
494.19147	74.0
495.19537	5.0
526.21472	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	526.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	9.9
55.01806	12.2
55.05454	17.1
56.05786	1.7
57.03369	8.9
61.02867	7.4
65.03856	2.0
67.05421	4.1
69.03003	3.4
69.03352	56.9
69.06979	8.3
71.04897	7.9
72.08066	1.8
73.02824	11.6
75.00341	1.7
81.02900	2.6
81.03342	37.2
83.04900	20.8
84.05228	2.0
84.08073	2.8
85.02831	100.0
86.09619	3.0
87.00756	54.8
91.03905	3.0
91.56552	2.0
97.02828	91.9
99.04395	22.8
104.93349	2.4
105.01804	53.1
108.02076	2.5
109.02838	36.3
109.10130	3.1
115.03857	3.2
118.89325	2.3
127.02948	4.0
127.03875	81.8
129.01814	2.8
141.05499	3.2
142.35345	2.6
145.04951	25.0
147.02834	3.0
151.03883	56.9
151.04996	4.8
152.04219	18.0
159.02937	15.5
159.14452	2.3
163.21289	2.1
213.03915	11.7
230.16061	2.3
231.04936	22.7
249.05998	8.0
265.98367	2.5
327.07358	2.1
337.95044	2.2
485.78711	2.6
505.13461	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	526.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	1.6
53.03884	4.9
54.81399	1.2
55.01810	7.1
55.05440	5.9
57.03378	17.4
58.02704	0.9
59.04937	3.6
60.04451	2.3
61.02841	5.8
67.05412	5.0
68.99708	2.2
69.03352	86.1
69.06996	8.8
69.46923	0.9
70.06501	2.4
70.72215	0.9
71.04895	5.0
71.05312	0.8
72.08052	1.2
73.02832	6.5
75.04383	2.1
75.91434	0.9
79.05408	1.0
79.81348	0.8
81.02910	1.4
81.03345	27.5
81.07001	2.2
83.01270	2.2
83.04917	7.7
84.04383	1.3
84.08064	1.4
85.02831	100.0
86.09618	1.2
87.00256	1.8
87.00760	43.6
87.01293	1.5
87.04401	16.8
91.05406	1.1
92.10271	3.4
93.07005	3.1
95.04861	2.0
95.08530	2.0
97.02829	67.8
99.04383	13.6
100.95529	0.9
103.03862	1.2
105.01814	42.9
105.06956	2.1
107.04914	0.9
107.08521	2.1
109.02827	22.6
109.06490	1.0
109.10112	2.1
110.07132	1.4
111.04395	5.0
115.03879	18.7
117.01801	0.9
118.67342	1.0
119.08501	0.9
121.10084	1.5
123.04371	1.8
126.61427	1.0
127.03876	41.7
129.05464	1.1
133.04950	10.8
133.09995	0.9
137.02277	1.2
139.03900	1.8
145.04944	17.5
147.02863	1.0
149.05981	1.5
150.07581	5.9
151.03876	4.4
157.44229	1.0
159.02870	9.2
177.05396	2.4
184.07272	1.1
189.03879	1.5
191.74176	1.0
205.04816	1.3
213.03862	1.9
223.05994	1.8
231.04903	11.7
241.07024	4.2
249.05855	7.7
296.72849	1.1
318.52780	1.1
327.06998	4.2
345.08197	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	526.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00230	0.8
54.81350	1.0
55.05448	17.3
57.03370	14.8
57.07003	4.3
58.99223	0.9
59.04925	2.1
59.71107	0.8
67.05425	100.0
69.06981	14.6
71.04899	1.7
71.08556	2.1
74.74075	1.0
79.05400	6.5
79.08663	0.8
81.06509	1.6
81.06973	41.5
83.08551	10.9
85.06479	1.0
86.31833	0.9
87.04398	4.3
89.05952	45.9
91.05386	12.1
93.06970	9.5
95.08531	22.5
97.06490	1.2
97.10085	2.0
99.08059	1.1
105.06963	2.3
107.07001	1.7
107.08515	6.3
109.10103	63.3
110.10374	1.5
111.08022	2.2
119.08515	6.7
121.10085	4.6
123.11645	1.2
133.08562	17.9
133.10081	1.8
137.09557	2.2
145.78818	0.9
155.10622	1.6
156.41138	1.1
173.11749	11.1
177.11221	3.7
199.95296	1.1
229.14293	29.8
264.88037	1.0
270.19186	1.0
327.20059	19.4
337.27319	31.8
491.37244	42.3
492.37250	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00234	1.3
55.05444	6.0
57.06742	2.7
57.07011	72.1
60.08100	9.5
60.08345	1.1
61.08426	2.2
68.14603	1.1
69.06982	10.4
71.07283	2.2
71.08546	60.7
71.53311	1.2
73.06464	4.8
83.08537	5.5
85.10105	29.7
86.09626	25.3
87.04376	6.6
87.09959	5.3
89.05952	100.0
97.10115	2.2
99.11644	2.9
104.10679	27.5
105.11020	5.7
106.11143	1.9
107.06996	5.8
113.13191	1.7
117.09866	1.3
124.26447	1.2
124.99956	10.8
133.08571	41.0
177.11145	15.9
180.42157	1.2
183.21040	2.4
184.07297	27.9
185.07629	8.8
186.07735	3.2
221.13850	1.7
229.86374	1.4
237.30275	1.2
239.14729	1.3
250.41412	1.3
271.26215	1.3
283.17426	1.6
301.89087	1.4
315.28806	3.2
327.20068	25.5
391.67117	1.4
509.40295	25.9
525.37146	2.8
526.37329	8.8
526.43945	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	526.431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81427	1.0
55.05450	1.7
57.06739	2.0
57.07014	52.3
68.98101	1.1
69.06976	6.0
71.08548	44.3
73.06470	2.2
85.10101	21.8
87.04375	2.0
89.05955	100.0
90.15349	1.2
92.10888	2.1
99.11697	1.6
107.07005	1.8
107.66229	1.0
111.11642	1.3
113.13222	1.5
116.11103	1.3
117.09091	1.4
123.37956	1.0
127.14781	2.0
132.64070	1.2
133.08562	40.5
144.50095	1.1
150.52533	1.0
177.11156	14.3
180.25449	1.1
183.21086	2.3
219.12218	1.1
234.95927	1.2
239.14793	1.7
243.32747	1.1
271.26294	1.6
277.21829	1.1
283.17352	2.3
291.74835	1.2
301.85968	1.3
315.28946	2.3
327.20084	26.5
388.17584	1.1
509.40292	21.4
526.24719	1.4
526.43079	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	527.1612
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
55.01813	1.3
57.03371	1.4
61.02856	1.2
64.32785	0.5
69.03340	7.5
70.06516	0.8
73.02844	3.2
81.03344	0.8
85.02829	14.1
86.03158	1.1
88.14938	0.6
97.02866	7.3
99.04420	1.0
101.00931	0.6
107.45779	0.6
116.98561	0.6
119.01884	3.4
127.03934	5.7
128.04224	0.9
131.01932	1.0
132.01988	0.7
134.99617	0.8
136.06197	7.3
136.07562	0.9
143.01910	2.9
145.01653	0.7
145.04959	3.8
155.01883	5.1
157.01717	0.7
161.02911	7.8
162.03035	0.8
163.02727	2.8
173.02940	14.1
174.03021	2.1
175.02686	3.9
185.02789	5.4
185.04285	3.3
186.03041	1.0
187.02754	3.0
192.05667	0.7
203.02342	1.0
203.03661	1.1
203.05396	11.0
203.64061	0.7
204.04152	0.8
205.03839	2.7
215.03871	0.8
242.47504	0.6
245.05013	9.2
246.05168	2.4
247.04701	5.3
248.05318	0.8
263.06055	1.3
265.05841	1.2
274.08252	1.3
305.07855	1.5
347.09341	2.4
365.10474	100.0
366.10834	1.0
527.15778	86.5
528.16150	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	528.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19221	0.5
53.18451	0.5
55.01817	0.6
55.05447	0.6
56.04982	0.8
57.03365	0.8
67.05420	2.5
69.03346	5.0
69.06966	0.7
70.06509	4.0
71.04903	1.0
72.08070	2.4
79.05416	9.1
80.17789	0.5
81.03344	9.9
81.06980	2.9
83.04937	0.8
84.04424	2.4
84.08070	4.1
85.02817	6.2
86.09638	1.4
87.00766	0.7
87.50681	0.7
88.03970	0.5
91.05409	10.2
93.06969	1.5
95.04897	0.9
95.08474	0.6
95.54266	0.5
97.02821	2.8
97.06467	1.4
98.97509	0.6
99.04375	1.2
105.06953	7.1
107.04880	3.1
107.08538	35.8
109.02845	3.8
109.06458	6.0
110.07086	2.2
110.30677	0.7
114.37041	0.6
115.05378	5.5
117.06968	9.9
119.05996	0.8
127.03880	2.5
129.10226	1.3
135.08022	100.0
136.08434	1.2
143.08459	0.8
151.03918	2.2
153.09081	0.7
155.08499	0.7
157.10101	2.2
163.07504	19.3
169.10054	1.0
176.99159	0.7
181.06960	1.1
181.08574	26.9
181.10052	1.4
183.11697	0.8
183.83888	0.6
193.10103	1.3
198.14890	1.2
199.09648	3.0
211.14827	2.1
223.14822	0.9
237.02686	1.2
239.14288	3.7
241.15829	1.5
244.58815	0.6
245.11385	0.7
257.15323	4.6
267.13849	3.4
285.14838	3.2
289.05176	0.7
303.15915	5.2
313.14236	4.0
325.12753	5.7
331.15372	6.1
343.13791	5.1
527.24408	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37008	0.5
53.03868	1.2
55.01797	1.1
55.05438	0.9
57.03364	2.5
61.02844	0.8
65.03836	0.7
65.09592	0.5
65.95110	0.6
67.05417	3.6
68.99645	0.5
69.03346	6.0
69.06979	0.7
70.06499	3.2
79.05404	7.5
81.03333	11.4
81.06955	2.8
84.08048	2.3
85.02421	0.6
85.02831	10.6
86.09638	2.3
90.84968	0.6
91.05403	10.6
93.06964	3.3
95.04926	1.2
95.08536	1.5
97.02838	5.4
97.06476	1.4
99.04379	1.2
105.06957	7.1
107.04891	3.2
107.08535	37.3
108.08829	0.8
109.02802	5.0
109.06491	4.3
110.07044	0.9
115.05382	6.1
117.06960	8.9
117.45161	0.6
119.05968	0.9
119.08524	1.0
121.10091	0.6
124.82864	0.6
127.03874	3.6
129.06956	0.7
131.08536	0.7
133.10124	0.9
135.08018	100.0
136.08369	2.8
140.57707	0.6
141.06935	0.7
141.69714	0.6
143.08524	2.5
145.04929	0.9
147.04407	0.7
147.11453	0.6
151.03860	1.4
155.08502	0.8
156.29207	0.7
157.10083	3.9
163.07506	21.6
169.10097	1.3
173.13165	0.6
179.08464	0.8
181.08563	30.4
181.10045	2.5
183.08006	0.8
183.11618	2.3
193.10088	4.0
195.11684	0.9
197.09532	0.9
198.14870	1.1
199.09589	4.5
199.11182	0.6
203.10522	0.8
207.61725	0.6
211.11102	1.4
211.14757	4.7
223.14737	2.7
239.14197	7.2
241.15784	4.9
245.11658	0.8
250.55247	0.7
257.15271	6.1
263.12753	0.7
267.13763	5.2
285.14893	7.9
303.15912	9.3
313.14374	9.3
325.12714	5.6
331.15338	14.2
343.13727	6.8
349.16333	3.3
507.22903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	1.5
53.03889	3.5
54.81704	0.8
55.01820	7.6
55.05449	4.2
57.03379	17.2
59.04929	2.9
60.04454	0.6
60.08070	0.7
61.02864	8.8
67.05431	0.9
68.99711	1.5
69.03354	85.9
70.06512	2.8
71.04916	4.6
72.22939	0.7
73.02845	6.8
75.04388	3.2
79.05431	0.9
81.03339	26.9
82.06522	0.7
83.01276	1.0
83.04906	10.1
84.04436	1.7
84.08074	4.4
85.02833	100.0
86.09627	1.4
87.00760	43.8
87.01297	1.5
87.04404	14.4
91.73845	0.7
93.07012	1.4
95.04902	1.6
95.08565	1.3
97.02830	74.4
98.97506	0.8
99.04399	13.8
103.03907	0.8
103.05418	0.9
105.01818	47.2
107.08556	1.2
109.02835	27.4
111.04398	6.0
115.03885	17.6
116.98597	1.4
117.01787	1.6
121.10097	1.2
123.02830	1.3
123.04427	1.1
124.99976	1.3
125.02308	1.8
127.03884	52.5
129.01822	2.9
129.05452	3.5
133.04959	10.0
139.03908	3.2
143.03542	0.9
145.04939	19.7
150.07600	3.3
151.03943	1.2
159.02870	6.1
169.04947	1.3
177.05400	2.6
184.07376	4.6
189.03963	0.9
201.03926	0.8
213.03981	3.8
223.05965	3.2
231.04970	15.7
237.02843	1.0
241.07034	4.3
249.06039	11.9
259.42267	0.8
273.06003	1.2
279.03735	1.1
279.50787	0.7
285.07529	3.0
327.07153	4.5
345.08200	10.1
363.09186	3.0
528.24713	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50639	3.0
55.05445	9.4
57.07015	54.4
67.05412	6.9
69.06976	6.8
71.08539	38.3
73.06445	4.9
81.06976	5.6
83.08537	14.5
85.10099	37.2
86.09574	5.7
87.04378	6.0
89.05952	100.0
95.08530	6.5
97.10120	4.9
100.27467	3.8
107.07020	4.7
109.10088	4.3
124.99938	3.8
133.08611	40.0
138.67094	3.3
139.40022	3.4
177.11151	8.6
179.67029	3.3
184.07204	6.0
229.21461	5.8
339.28839	26.5
371.22757	7.0
511.38202	8.1
528.39880	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	529.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89754	0.2
53.03872	0.4
54.03376	0.2
55.01793	0.4
55.05431	0.6
56.04941	0.3
65.02490	0.3
67.05397	1.5
68.04937	0.4
68.13471	0.3
69.03351	2.4
69.04450	0.6
70.06155	0.3
70.06509	6.8
71.04901	0.3
71.06803	0.3
72.08063	0.4
79.05402	2.1
81.03384	2.5
81.04457	35.7
81.06940	1.3
82.05210	0.4
83.04881	0.3
83.05998	1.6
84.04433	3.3
84.08031	0.6
85.02824	2.4
86.09614	0.4
91.05389	1.3
93.06950	0.5
95.04902	1.1
95.06017	27.1
95.08523	0.6
96.06303	0.3
97.02815	0.6
99.04362	0.6
99.05481	1.4
102.05460	0.5
103.25932	0.3
105.06939	1.2
107.04890	3.4
107.06004	0.7
107.08501	0.5
109.02850	1.5
109.06461	0.4
109.10096	5.2
110.07085	1.2
111.04406	0.4
119.08524	1.8
121.06437	0.6
125.07070	41.0
127.03849	0.5
128.06139	0.5
129.06989	0.3
129.10204	0.5
133.10056	1.4
135.17140	0.3
137.09595	6.6
143.08133	100.0
144.08482	1.2
147.08026	3.2
156.68433	0.3
161.09576	11.3
162.09874	0.4
165.09071	5.3
179.10645	0.7
189.09035	0.6
207.10139	0.6
223.06026	0.5
225.11066	0.4
255.06400	2.4
256.06808	1.2
265.09808	0.4
278.54135	0.3
330.37692	0.4
371.12317	0.6
381.18115	0.3
387.16489	0.4
397.65070	0.3
435.05576	0.3
525.43280	0.3
529.23987	20.6
530.23987	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	0.4
57.03381	0.3
66.98866	0.3
67.05433	4.8
71.04910	8.4
74.02368	0.4
76.90620	0.3
81.06963	0.5
83.08569	0.6
85.06468	0.6
90.54103	0.3
97.37326	0.4
109.10111	6.4
111.06177	0.3
115.05421	0.5
117.06985	1.5
118.05654	0.7
118.06493	19.4
127.11170	4.6
130.06467	1.7
132.08067	6.6
142.06529	2.3
143.07266	2.6
144.04445	0.5
144.08063	16.1
145.12209	6.3
146.05989	84.4
147.06335	2.0
159.09166	8.7
160.07552	0.8
163.13275	7.1
170.05965	5.1
188.07033	100.0
189.07333	3.8
205.09683	22.8
206.10088	0.6
246.13666	0.3
250.09444	0.3
400.33026	0.3
426.97873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86627	0.8
69.03329	1.2
75.59169	0.9
79.05400	0.7
83.04900	1.3
85.02810	1.2
91.05421	8.5
107.08516	4.0
112.59693	0.9
117.06956	1.2
119.08539	100.0
120.08855	1.8
129.10840	0.7
133.06464	12.1
135.08043	0.8
136.25140	0.7
154.48482	0.8
307.11594	1.0
364.35251	0.9
379.09885	0.8
531.38708	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	531.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.3
55.01812	0.2
55.05461	1.2
57.03364	0.3
59.13324	0.1
59.40687	0.1
65.03846	0.2
67.05424	0.2
69.03352	2.4
70.06514	1.4
71.04904	0.2
72.08064	0.2
78.04622	0.2
79.05414	1.4
81.03330	0.8
83.04897	1.9
85.02824	1.4
85.10573	0.2
87.04383	0.3
90.47489	0.1
91.05408	9.3
93.06976	0.7
95.04893	0.7
99.04392	0.2
99.06618	0.2
100.07536	0.3
103.05365	1.1
104.06189	1.0
105.06979	1.9
107.08538	2.8
109.06494	0.2
111.04375	1.2
113.06084	0.2
115.05408	0.4
116.07059	1.4
117.06966	2.3
118.08606	1.0
119.08537	100.0
120.08865	2.2
123.08006	0.6
126.95561	0.1
129.05414	0.2
133.06464	9.4
133.07494	0.8
133.10089	0.3
135.07997	1.2
145.10107	0.2
157.10097	0.2
184.07355	0.3
194.10345	0.2
199.11243	0.2
235.14825	0.2
263.12738	1.3
289.35696	0.2
291.29413	0.2
307.11755	0.2
322.30389	0.2
384.82626	0.2
397.19974	0.2
411.17758	0.2
531.27112	0.4
554.14252	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	531.3654
Annotation	Cordianol F
Peak:m/z	Relative Intensity
54.81588	0.9
57.07002	1.0
67.05431	3.3
68.35661	0.8
69.06973	1.8
79.05406	1.2
81.06968	1.7
84.97516	0.9
92.10242	2.1
95.08529	2.0
122.74531	0.9
123.29530	1.0
145.09654	0.8
158.96169	0.9
177.95882	0.9
177.97517	1.0
195.09816	1.6
276.08182	1.0
311.20050	1.1
364.30716	1.0
374.28220	1.1
377.24680	1.9
531.36493	100.0
532.36774	3.6
551.70270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08807	0.2
51.81520	0.2
53.03876	0.3
53.50536	0.2
54.12119	0.2
55.01812	0.5
55.05449	6.3
55.31153	0.2
57.03351	0.3
58.99496	0.2
63.77950	0.2
65.03864	6.6
67.05426	3.6
69.03333	1.8
70.06503	1.6
71.04853	0.2
81.03317	0.4
81.06979	0.4
82.04113	2.8
83.04895	8.8
84.08081	0.2
85.02826	6.2
86.09599	0.4
91.05402	0.5
93.03315	1.6
93.06942	0.3
95.04919	1.7
97.02816	1.0
97.06466	2.8
99.04371	0.3
101.05946	0.3
105.06977	0.3
107.08514	0.4
108.02026	1.5
110.03626	3.1
111.04384	2.8
121.10103	0.5
123.00754	0.4
123.08023	0.2
125.02343	0.3
125.05933	2.6
127.03879	1.1
133.10089	0.4
135.08098	0.3
138.03093	2.3
140.04666	0.3
142.02585	2.1
153.05443	1.4
155.08449	0.3
171.06483	10.0
181.04912	100.0
182.05261	1.3
206.08098	0.3
225.05414	0.3
241.81801	0.2
242.05713	0.4
243.17418	0.6
264.59433	0.3
270.05066	2.5
271.05887	0.5
285.07492	11.0
299.07614	1.2
317.17279	0.5
335.18277	0.3
336.98648	0.3
380.37555	0.3
532.75763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	2.8
55.01804	5.9
55.05462	22.3
57.03384	5.9
57.06996	6.9
61.02859	7.0
66.97562	2.9
67.03975	2.8
67.05427	87.8
69.06979	22.0
72.04425	5.4
79.05403	50.0
80.37653	3.2
81.06966	100.0
83.08531	6.3
84.04438	43.0
85.02835	13.9
85.04778	4.7
86.09615	5.7
90.05470	13.2
91.05399	24.5
93.06966	61.8
95.04875	4.8
95.08531	72.4
97.38122	3.0
98.05978	6.9
103.61471	3.4
105.06960	24.8
107.08529	32.8
109.10108	35.2
117.06862	4.0
119.08525	21.5
121.10117	31.8
123.11658	17.7
126.05459	17.0
130.04964	14.6
131.08519	19.3
133.10071	19.5
135.11632	21.0
137.13213	3.6
144.06506	4.4
145.10098	13.8
147.11655	7.9
149.13240	16.6
159.11633	13.5
161.13242	6.6
163.14774	6.2
172.95198	21.2
173.13260	14.6
175.14775	3.3
184.07298	19.2
187.14728	5.1
190.96233	24.2
228.97746	5.0
243.21027	20.2
261.22058	50.2
285.07562	15.4
318.29428	3.6
335.25629	23.5
337.20468	13.8
353.26736	26.2
374.26401	3.6
473.19507	22.0
531.35541	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	532.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94753	1.0
51.02316	0.9
52.86385	0.8
53.03888	2.1
53.56112	0.9
55.05452	16.6
57.03366	6.4
57.07008	5.2
57.72927	1.1
59.85102	1.0
61.02856	11.6
65.03864	1.5
67.05426	95.8
69.03337	2.0
69.06989	14.3
71.04907	2.0
73.02838	1.8
73.03908	0.9
73.32389	0.9
75.04361	1.7
78.56316	1.0
79.05407	67.1
81.06974	100.0
82.07304	1.2
83.04879	1.4
83.08526	6.8
85.02832	8.4
86.09622	2.7
91.03867	2.5
91.05405	27.9
93.06972	83.8
95.04900	6.2
95.08533	73.7
95.09157	1.7
97.02807	2.8
97.06448	4.7
97.10096	2.3
99.08043	2.0
104.10646	1.7
105.06969	24.0
107.08536	51.8
109.06436	1.4
109.10108	33.8
111.08002	2.8
117.06954	12.7
119.08537	23.1
119.79964	1.2
121.10091	45.5
123.07993	1.2
123.11650	11.4
124.99918	1.1
131.07626	1.5
131.08543	26.4
133.10101	15.3
135.11665	33.3
137.13225	5.4
145.10098	17.3
147.11658	12.1
149.13219	19.3
154.94133	2.7
159.11650	15.3
161.13232	9.4
163.14786	10.5
172.95172	10.3
173.13214	18.0
175.14786	2.2
177.16359	2.1
179.14510	1.4
184.07327	2.3
187.14790	6.3
188.14911	1.2
190.96255	8.0
201.16402	2.2
221.28204	1.2
228.97803	2.4
233.22624	1.7
243.21046	23.5
246.98897	1.5
261.22079	68.6
262.22397	1.4
285.07645	1.7
324.19357	1.2
335.25494	8.1
337.20465	2.5
353.26840	25.9
463.56046	1.2
473.19708	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	533.1288
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
51.96096	0.1
55.20707	0.1
67.05433	0.1
69.03347	0.1
69.57216	0.1
70.06505	0.1
78.21492	0.1
85.02821	0.1
89.03826	0.1
102.63948	0.1
103.03886	0.3
107.04931	0.1
108.02067	0.1
111.04432	0.1
114.36726	0.1
115.05452	0.1
118.04100	0.8
119.04936	0.3
121.02828	0.2
124.01495	0.1
125.02293	0.2
125.22321	0.1
127.03894	0.1
131.98822	0.1
133.02831	0.2
134.03545	0.1
139.03831	0.6
140.67325	0.1
141.06992	0.8
142.49103	0.1
145.02869	0.9
152.00998	0.7
158.07283	0.3
161.02226	0.1
163.03900	0.1
167.03387	1.4
168.05646	0.9
169.06447	2.3
185.05995	0.2
186.06735	0.4
196.05171	1.2
197.05942	3.8
197.07771	0.1
198.06621	0.1
213.05438	0.6
214.06212	1.3
224.04631	0.1
225.05424	5.5
226.06169	0.4
228.04173	0.1
229.08557	4.7
239.07013	0.1
241.04860	0.5
241.20883	0.1
242.05688	8.4
243.06137	0.2
252.04169	0.4
253.04916	0.4
254.05717	0.4
257.08011	1.0
267.06546	0.3
269.04297	0.4
270.05173	24.9
271.05615	0.8
285.07516	100.0
286.07855	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	533.1282
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
50.28913	0.1
56.35967	0.1
60.72180	0.1
63.34510	0.1
68.99701	0.1
76.77778	0.1
77.36380	0.1
78.80802	0.1
79.05344	0.1
85.83117	0.1
88.71279	0.1
91.05423	0.1
92.10237	0.1
105.03336	0.1
107.04820	0.1
111.04387	0.2
118.04113	0.7
119.04871	0.3
121.02816	0.3
121.95255	0.1
124.01537	0.1
125.02242	0.1
133.02803	0.2
134.03609	0.1
135.04349	0.1
139.03883	0.6
139.04767	0.1
141.06932	0.5
145.02802	0.8
152.01024	0.6
158.07156	0.1
163.03879	0.1
167.03348	1.1
167.07109	0.1
168.05692	0.8
169.06429	1.9
185.05952	0.1
185.73257	0.1
186.06711	0.4
196.05185	0.8
197.05936	3.4
198.06604	0.1
201.09065	0.1
213.05440	0.5
214.06203	1.2
224.04460	0.1
225.05426	5.4
226.06062	0.3
229.08557	5.1
230.08917	0.1
239.06981	0.2
241.04898	0.4
242.05687	7.8
243.06152	0.2
252.04105	0.2
253.04930	0.3
254.05659	0.3
255.06444	0.1
257.08044	1.0
267.06232	0.1
269.04391	0.1
270.05164	25.7
271.05493	0.6
285.07513	100.0
286.07858	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	533.1289
Annotation	Apigenin 7-methyl ether 5-(6'-malonylglucoside)
Peak:m/z	Relative Intensity
53.00219	0.1
53.03888	1.0
54.87362	0.1
55.01783	0.5
57.03375	1.3
61.02855	1.2
66.20782	0.1
68.99703	0.9
69.03350	6.4
71.01231	0.2
71.04869	0.7
73.02834	1.3
73.66848	0.1
74.35667	0.1
79.05362	0.1
81.03335	5.8
83.01278	0.1
85.02828	7.0
87.00252	0.2
87.00746	2.8
87.04344	0.2
91.03848	0.2
91.05406	0.2
92.24021	0.1
96.18649	0.1
97.02815	2.7
99.04382	1.6
103.03899	0.9
103.05344	0.1
104.24074	0.1
105.01809	0.9
105.06950	0.1
107.04887	0.2
109.02165	0.2
109.02828	3.5
111.04325	0.2
112.29999	0.1
115.03840	0.2
115.05305	0.1
118.04086	0.3
119.04898	0.2
123.04440	0.1
124.01517	0.1
127.03865	3.7
129.01770	0.6
133.02837	0.1
139.03909	0.3
141.06911	0.3
145.02824	0.7
145.04897	0.7
152.01038	0.2
155.04805	0.2
159.02809	0.7
159.07968	0.2
161.02229	0.1
163.03796	0.2
167.03319	1.2
167.06982	1.1
168.05653	0.7
169.06447	1.4
175.07449	0.5
181.04903	0.2
186.06754	0.6
193.08632	0.1
196.05116	0.9
197.05928	2.7
213.05467	0.5
214.06223	1.0
224.04398	0.2
225.05428	4.3
226.06088	0.5
229.08568	3.6
229.39003	0.1
239.06964	0.2
240.04099	0.1
241.04784	0.2
242.05675	5.3
252.04027	0.2
253.04897	0.6
253.08604	0.1
254.05666	0.8
255.06462	0.3
257.08002	1.5
267.06543	1.4
269.08060	0.2
270.05157	18.6
271.05591	0.3
283.05975	0.3
284.06714	0.2
285.07513	100.0
286.07819	2.8
294.05017	0.6
297.07489	0.1
309.07578	1.2
312.06232	0.1
327.08542	3.7
339.08368	0.2
345.24451	0.1
351.08786	0.2
447.12811	4.4
489.13794	1.2
515.11780	1.2
533.12787	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	533.1284
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
55.01789	0.1
55.05442	0.1
57.91974	0.1
64.33263	0.1
64.46648	0.1
65.03859	0.1
65.85220	0.1
69.03326	0.3
70.06490	0.2
71.16711	0.1
79.05461	0.1
81.03346	0.2
81.06920	0.1
83.04898	0.1
84.04441	0.2
85.02798	0.1
87.00783	0.1
87.04456	0.1
91.05421	0.2
93.03318	0.2
95.08569	0.1
97.02802	0.1
105.06984	0.2
107.04899	0.7
118.04128	0.6
123.04396	0.9
133.06491	0.9
133.10057	0.1
145.06442	0.2
145.87180	0.1
149.02310	0.3
152.06215	0.2
153.01790	1.4
156.37178	0.1
158.07222	0.1
162.94914	0.1
163.03860	0.1
168.05688	1.0
169.06503	0.2
170.02065	9.6
172.05220	0.2
179.03381	0.2
183.08009	3.7
186.06670	0.2
196.05106	1.1
197.05917	0.5
211.07527	4.2
213.05434	2.1
213.12599	0.1
214.06206	0.7
224.04498	0.1
229.08556	9.3
231.13786	0.2
239.06963	1.4
241.04919	0.6
242.05638	3.7
253.04860	2.9
257.08051	0.2
267.06439	0.7
269.04419	3.8
270.05161	5.3
271.05545	0.2
285.07513	100.0
286.07828	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	533.1288
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
54.40508	0.1
55.05445	0.1
60.60170	0.1
68.99693	0.1
69.03323	0.4
70.06499	0.1
76.55803	0.1
79.05379	0.2
81.03312	0.3
81.06937	0.1
84.08075	0.1
85.02812	0.4
86.09668	0.1
87.00723	0.1
87.45023	0.1
91.05402	0.2
93.06991	0.1
95.04901	0.1
97.02818	0.1
99.04391	0.2
100.11214	0.1
103.05400	0.1
105.06956	0.5
107.04884	0.4
107.08514	0.1
109.02783	0.1
109.06451	0.1
118.04086	1.5
119.04882	0.2
119.08505	0.1
120.08076	0.1
120.10479	0.1
121.02793	0.3
121.24041	0.1
123.04385	2.5
124.01527	1.0
127.03848	0.1
131.04880	0.2
133.06436	0.8
135.04419	0.1
137.08199	0.1
137.09395	0.1
139.03830	0.3
141.06978	0.1
145.06517	0.1
149.02322	3.1
151.03893	0.1
152.00990	1.2
153.01797	1.5
158.03618	0.6
163.03860	0.2
167.03355	0.6
168.05695	0.1
169.06311	0.1
170.02057	6.0
171.02444	0.1
173.06001	0.1
174.35266	0.1
179.03329	0.7
183.08037	0.1
184.07352	0.1
186.06804	0.2
196.05183	0.1
197.05960	0.7
197.07541	0.1
198.06628	0.1
201.05339	0.1
213.05386	1.3
214.06210	0.5
225.05383	0.2
229.08554	4.9
241.04910	0.4
242.05676	5.2
252.04248	0.7
253.04900	3.0
255.06488	0.1
257.08063	0.4
269.04358	2.6
270.05148	7.9
285.07504	100.0
286.07846	2.6
447.12909	0.1
533.12897	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	2.5
55.05445	0.4
56.30075	0.3
57.07010	0.3
59.08220	0.4
61.01070	2.2
67.05411	0.6
68.99706	3.8
69.03332	0.6
69.06967	0.9
70.06508	4.6
72.04432	5.3
72.08073	0.8
78.03711	4.1
81.06956	1.6
81.46513	0.3
84.04430	3.2
84.08064	3.5
85.02824	0.6
85.06460	0.8
86.05996	0.8
86.09612	2.2
88.02151	3.7
89.03821	0.7
93.06918	0.4
95.04895	0.5
95.08487	0.5
97.02826	1.7
99.04375	0.4
99.05485	1.4
102.03704	5.4
107.04895	0.7
107.08546	0.7
107.40690	0.5
110.07110	1.6
113.05922	0.7
114.03699	0.8
115.08617	0.5
117.03322	0.7
119.08537	0.5
121.02854	0.4
124.07494	0.7
127.03815	0.4
128.06209	1.6
129.06960	2.4
129.10207	0.8
130.06523	3.3
131.06345	3.1
131.08568	0.8
132.04761	6.8
133.02823	0.8
133.10069	0.6
137.02278	0.7
139.11111	0.6
141.06937	1.5
142.08601	2.9
143.08536	1.6
145.02814	2.2
147.24826	0.4
149.06172	0.7
149.07410	16.1
152.03955	0.4
152.06184	0.8
153.06960	6.9
155.94112	0.4
157.06459	9.4
159.05843	1.5
159.07967	0.6
163.77675	0.5
165.06932	0.8
169.06432	1.6
170.02051	1.5
171.08003	4.0
177.05446	1.9
178.04967	2.3
181.06429	19.4
182.06848	0.7
183.08003	0.8
184.09647	1.7
185.05766	3.8
187.07503	2.9
197.05983	1.4
198.12856	0.6
199.07492	12.9
209.05896	6.3
210.06671	0.7
211.07501	0.8
213.05444	9.9
225.05519	0.7
226.06154	0.6
227.06981	22.4
229.08531	1.8
237.05295	3.9
238.09689	0.9
242.05811	0.9
243.11572	0.8
255.06456	100.0
256.06720	3.8
261.12610	20.6
270.05212	3.8
271.05753	0.7
272.51877	0.5
284.09097	1.8
285.07510	35.9
286.07849	2.0
296.12469	0.4
297.61255	0.5
326.10220	6.2
403.12997	2.1
515.18756	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	533.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13841	0.3
54.90052	0.3
55.05438	1.1
56.04970	1.2
57.07011	5.0
62.99831	0.3
63.38223	0.3
67.05416	2.2
69.06986	0.5
71.08544	2.9
77.07876	0.3
79.05401	1.5
81.06977	2.0
83.08535	1.4
84.04428	34.8
85.10108	1.5
91.05409	1.8
91.24296	0.3
93.06969	1.5
95.08551	2.8
97.10135	0.4
100.09056	0.3
103.05405	8.2
107.04911	2.8
109.10130	0.6
120.08057	100.0
121.08398	2.0
130.04968	28.3
130.06522	1.4
131.04889	4.1
149.05943	1.9
158.09616	1.1
166.08597	17.0
168.08026	1.8
184.07478	1.4
185.10670	2.2
186.09109	33.0
187.09468	0.5
197.13716	0.3
204.10272	0.5
231.11267	4.6
232.09637	8.6
233.09909	0.4
239.23677	0.7
256.26376	0.5
271.91559	0.3
277.11783	6.7
278.10187	1.5
295.12909	5.9
368.28079	0.6
387.25351	0.4
487.35303	1.4
527.49304	0.5
532.38995	0.4
533.36005	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96503	100.0
69.06982	3.9
70.06500	1.0
71.95156	0.5
72.95972	3.6
74.53800	0.3
74.97529	2.5
83.97528	0.6
84.04435	0.6
84.08080	0.4
85.02847	0.5
86.09656	0.5
87.08040	1.5
89.87140	0.3
90.05450	0.5
103.05385	0.8
104.00191	0.4
105.09090	0.7
107.04853	0.6
120.08058	33.7
121.08389	1.6
124.69928	0.4
127.03830	0.4
131.04874	0.4
136.06178	2.4
136.07530	0.7
149.05948	0.5
162.97934	0.6
164.07021	1.5
165.02167	0.5
166.08569	7.6
167.03786	1.9
176.03784	11.0
178.05357	17.7
181.01700	1.0
182.08052	0.5
183.03261	4.9
185.04800	1.8
187.90196	0.4
192.03267	1.6
194.04880	15.0
195.03282	1.6
196.06438	36.1
197.01201	0.6
199.02711	0.9
199.13881	0.4
201.04332	10.1
204.03209	3.3
208.02766	1.8
210.04382	2.9
219.05373	2.7
219.08040	0.8
222.04340	54.1
223.04695	1.6
226.03870	5.5
240.05386	94.7
241.05669	0.6
244.04495	0.4
245.05919	0.9
263.06989	1.7
351.09885	2.6
369.11139	67.8
370.11383	2.5
387.12167	16.4
388.12738	0.5
410.13654	2.1
435.89059	0.5
472.30923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	1.5
56.04961	0.9
58.06528	0.9
60.08096	22.1
67.05416	4.1
71.07288	10.1
79.05392	3.0
81.06976	1.6
86.09627	83.7
87.09930	0.7
91.05407	1.3
92.10934	1.4
93.06969	1.8
95.08543	1.7
98.98386	6.3
104.10674	85.9
105.06976	0.9
107.08554	1.6
119.08540	1.7
119.18323	0.9
124.99957	45.9
143.01007	3.0
184.07294	100.0
185.07739	1.2
185.96974	0.8
286.08011	1.8
359.51505	0.9
498.29440	4.3
502.24295	0.8
516.30737	32.2
517.30933	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67555	0.7
53.57051	0.8
56.04967	1.5
60.07794	0.9
60.08094	25.0
64.53463	0.8
67.05408	4.1
69.06962	1.8
71.04906	1.4
71.07286	8.7
79.05405	1.6
79.28524	0.9
81.03332	2.2
81.06954	3.3
85.02815	2.0
86.09622	77.4
87.09925	1.2
91.05415	1.2
93.06981	1.3
95.04866	1.7
98.98367	4.6
101.64964	1.0
104.10673	91.9
105.06973	1.5
107.08519	1.4
119.08566	1.2
124.99026	1.6
124.99952	44.6
143.01033	1.0
184.07289	100.0
185.07643	0.9
237.02902	1.0
410.83875	0.9
488.70905	1.0
516.30872	1.5
534.31836	36.1
535.31458	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45048	0.7
53.45314	0.6
55.05444	1.6
60.08096	27.3
67.05436	7.9
67.67866	0.9
69.06975	1.8
71.04924	1.3
71.07284	10.5
72.62169	0.8
73.72889	0.8
79.05408	5.5
81.03332	1.1
81.06973	6.7
86.09627	78.5
91.05405	3.5
93.06957	5.7
95.08523	5.0
98.98393	5.9
104.10682	100.0
105.06961	3.9
105.11021	1.1
107.08543	3.9
119.08530	1.7
121.10088	2.0
123.11633	1.0
124.99965	46.1
130.48332	0.9
133.10071	1.5
143.01010	1.1
145.10127	1.4
161.13249	1.0
184.07306	99.7
185.07639	1.0
219.01897	1.2
221.30728	0.9
237.02733	1.4
258.10785	1.2
277.21609	1.2
285.59848	1.0
295.22577	1.1
496.11963	0.9
498.29361	5.6
509.78464	1.0
516.30731	37.7
517.31018	2.0
556.92834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05427	0.5
56.04967	0.6
58.06506	0.4
60.08096	13.8
60.91248	0.4
66.81962	0.3
67.05410	1.8
69.06992	0.4
70.20049	0.3
71.04907	0.7
71.07283	6.5
71.08527	0.5
78.85020	0.4
79.05417	0.4
81.06970	0.8
85.02816	0.5
86.09626	63.3
87.09934	0.5
91.05367	0.5
92.47580	0.4
93.06949	1.7
95.08544	0.8
98.98397	4.8
104.10675	37.3
105.06968	0.5
107.08521	0.5
109.10107	0.4
112.17498	0.4
119.08517	0.6
124.99958	38.8
133.06789	0.5
143.00975	0.8
161.13274	0.4
163.72469	0.4
184.07300	100.0
185.07617	0.9
286.07785	0.4
406.42917	0.4
516.30688	2.3
534.31836	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	534.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83693	0.3
58.06523	0.8
58.35196	0.3
60.08096	14.3
60.40595	0.4
63.62378	0.3
67.05432	0.6
71.07299	4.9
79.05421	0.7
81.06976	0.6
86.09631	60.8
87.09919	0.5
89.27412	0.4
89.61517	0.4
91.05432	0.4
93.06979	0.8
95.08577	0.4
98.98412	5.0
101.02395	0.5
102.27962	0.4
104.10681	31.8
121.10173	0.4
124.99967	39.2
137.06627	0.4
143.01024	0.8
184.07314	100.0
185.07716	0.8
194.53355	0.4
244.27649	0.4
262.88031	0.4
338.16772	0.4
434.25681	0.5
516.30658	2.4
534.31842	12.5
535.32416	0.6
538.14948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	9.0
56.04979	1.7
57.03362	2.3
57.07007	4.1
60.08093	21.8
60.95921	0.9
61.02858	1.1
62.03474	0.9
67.05425	24.0
67.50445	1.0
68.90185	1.0
69.06985	9.7
71.07288	10.0
71.08558	1.2
78.84938	1.1
79.05407	5.9
81.06976	24.5
83.08538	6.0
84.04441	1.1
85.02814	1.7
86.09626	80.7
91.05408	2.6
93.06973	7.6
95.08527	17.5
97.02833	1.2
97.06462	1.9
97.10113	1.4
98.98410	6.1
104.10678	100.0
105.06979	4.2
107.08535	6.6
109.10099	9.7
119.08527	2.2
121.10107	4.1
121.58748	1.1
123.11655	4.1
124.05971	1.2
124.99964	39.2
133.10146	4.3
135.11613	1.8
137.13234	1.2
143.00951	1.2
147.11668	2.4
149.13266	2.0
151.14746	1.5
161.13225	1.6
163.01466	1.2
163.14818	1.6
174.98488	2.2
175.14920	1.7
184.07300	91.9
190.96318	1.2
213.00098	5.1
245.22574	5.8
263.23666	10.3
271.52023	1.1
309.44849	1.2
324.84760	1.2
337.27295	4.3
475.22452	1.8
516.34515	4.9
534.35626	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	534.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	1.0
53.03881	0.8
54.81536	0.8
55.01809	0.9
55.05188	1.3
55.05450	27.2
56.14878	0.8
57.03363	6.3
57.07010	12.1
60.08082	6.4
61.02857	6.7
67.05428	84.0
69.03335	1.0
69.06650	1.6
69.06987	28.5
71.04896	2.0
71.07288	5.9
71.08546	7.3
73.02797	1.0
79.04958	1.4
79.05405	26.0
80.40923	0.9
81.06973	100.0
83.04894	1.8
83.08540	19.8
85.02820	7.1
85.06441	2.1
85.10106	1.9
86.09630	28.7
87.09957	1.7
91.03873	2.3
91.05405	15.7
93.06973	27.9
95.04902	1.3
95.08532	90.8
96.08829	1.3
97.02836	4.9
97.06458	6.2
97.10107	12.1
98.98470	1.1
99.08025	2.3
100.08939	1.0
104.10684	40.5
105.06981	13.6
105.11013	5.2
107.08540	20.2
109.10104	40.4
111.08000	4.1
111.11661	2.2
112.30328	0.9
119.08543	14.8
121.10083	20.1
123.11661	16.8
124.99976	8.6
125.09594	1.4
133.10098	16.4
135.11641	10.9
137.09497	1.2
137.13235	6.3
147.11652	9.4
149.13274	6.8
151.11153	1.2
151.14821	4.2
155.14281	1.2
161.13199	12.1
163.14766	7.7
165.16394	4.5
175.14786	7.9
179.17909	4.0
184.07315	7.6
189.16284	6.0
201.00064	4.2
213.06757	1.0
245.22600	35.8
263.23663	46.5
337.23495	1.5
337.27332	24.6
355.28589	1.6
364.43118	1.0
414.44287	1.1
504.34708	1.7
533.83490	1.1
544.34271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1081
Annotation	2'-Hydroxygenistein 7-O-(6'-malonylglucoside)
Peak:m/z	Relative Intensity
51.66279	0.2
53.03889	3.2
55.01812	2.8
57.03366	1.6
61.02844	1.4
65.32874	0.2
68.69780	0.2
68.99704	2.1
69.03352	10.7
71.04900	1.5
73.02843	2.0
81.03340	11.1
82.03655	0.2
83.01276	0.4
85.02832	12.3
86.09644	0.3
87.00759	8.1
91.03864	0.6
97.02841	4.6
99.04379	3.4
105.01814	2.7
105.03309	0.3
107.04877	0.5
109.02842	6.4
110.03204	0.3
111.00751	1.3
115.73021	0.2
117.01796	1.4
121.02805	3.8
127.03886	7.3
129.01801	1.2
129.33282	0.2
133.02757	0.3
137.02315	1.6
145.04961	1.7
145.06447	0.3
147.02840	0.3
147.04399	0.6
153.01801	5.6
159.02878	3.9
162.58209	0.3
165.01822	3.1
171.04350	0.5
183.02864	1.7
213.05409	1.5
231.06607	0.5
241.04871	1.1
258.05099	1.8
259.05887	0.4
271.05649	0.3
285.07504	0.5
286.07867	0.3
287.05457	100.0
288.05716	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	535.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	0.5
55.05471	0.3
55.05760	0.2
56.36371	0.2
57.07010	14.6
57.31758	0.2
58.06540	2.2
59.85036	0.3
60.08087	0.6
62.05720	0.4
62.06016	10.1
63.33199	0.2
67.50854	0.2
71.07282	0.3
71.08546	7.5
85.10095	2.2
86.09631	3.3
100.27306	0.3
104.10693	3.4
124.99956	2.1
137.05957	0.6
159.98904	0.3
177.46310	0.3
184.07272	4.4
199.74467	0.3
212.23682	5.7
230.24733	100.0
231.25072	2.5
535.31342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41787	0.5
53.03885	2.9
53.34640	0.5
55.01805	2.8
55.05444	1.1
56.04975	0.7
56.96504	0.5
57.03371	2.8
61.02862	1.3
67.05423	1.2
68.99707	2.3
69.03351	12.7
69.06979	2.2
70.06505	3.8
71.04919	1.0
72.08070	1.2
73.02829	2.6
78.04606	0.5
79.05387	1.3
79.38512	0.4
79.77638	0.4
81.03338	11.3
81.06972	3.9
83.04903	0.7
83.08549	0.7
83.60540	0.5
84.04425	0.9
84.08071	2.2
84.49644	0.5
85.02827	21.9
86.09647	2.3
87.00761	7.9
90.05475	0.6
91.05399	2.4
92.04935	2.4
93.06988	3.0
95.08536	2.7
97.02823	7.3
97.06481	1.1
98.97555	0.8
99.04401	5.7
102.05521	0.6
103.03860	4.2
105.01814	2.6
105.06964	2.8
107.04879	0.9
107.08534	2.2
109.02840	8.6
109.10065	0.7
110.07123	0.7
116.98579	0.5
119.08533	3.9
120.04420	24.3
120.08079	0.6
121.02866	0.5
121.10074	1.1
127.03881	13.2
129.01831	1.0
129.10219	0.8
129.99338	0.7
131.08568	0.6
133.10112	2.6
134.10384	0.7
135.11653	1.3
145.02899	0.9
145.04961	3.4
145.06281	0.5
145.10233	0.8
147.04399	0.5
149.02283	2.3
153.01819	5.4
159.02876	3.0
161.09605	0.8
163.05896	0.6
175.14815	2.5
176.15132	2.5
213.03757	0.5
215.07001	3.3
216.06331	0.7
231.04860	0.9
243.06520	3.2
253.04938	0.9
255.06415	0.9
271.05957	100.0
272.06146	1.1
287.05435	13.7
287.08612	1.1
288.05737	9.1
295.06223	0.8
313.06989	1.0
426.40973	0.6
519.11224	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	536.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64611	0.1
55.01810	0.3
57.03363	1.0
57.70880	0.1
69.03335	0.4
70.33666	0.2
73.02820	0.8
74.32072	0.1
77.22221	0.1
79.56181	0.1
81.03320	0.3
84.04432	1.1
85.02833	0.7
99.04377	0.2
119.04906	0.3
123.04375	0.9
133.04987	0.3
136.06161	100.0
137.06586	0.4
147.04399	0.7
153.04102	1.1
165.05469	0.9
176.66347	0.2
182.08083	0.3
198.50723	0.2
201.57411	0.2
268.10355	18.3
269.10693	0.2
311.12421	0.7
369.42108	0.2
524.58728	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	536.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74880	0.5
53.03885	6.2
53.66348	0.5
55.01810	10.5
56.04966	0.8
56.96500	0.7
57.03377	7.7
61.02850	8.7
62.06004	0.9
63.02306	0.7
65.03864	0.6
67.01794	0.8
67.05428	0.9
68.99712	2.5
69.03345	38.9
70.06506	13.2
71.04912	5.8
72.08071	1.2
73.02829	7.2
81.03334	31.5
83.01231	0.9
83.04890	0.9
84.04424	24.8
84.08065	6.3
85.02825	100.0
86.09603	0.7
87.00749	46.4
87.04414	0.9
89.03831	16.7
91.03883	3.1
91.05393	19.7
95.04877	1.3
95.08547	1.0
97.02820	41.9
99.04382	15.7
102.05447	6.3
103.03848	0.9
103.05362	0.8
105.01805	50.4
105.06956	1.2
106.04109	0.8
109.02825	33.9
110.07110	2.7
115.03862	1.0
117.01836	2.7
117.03320	42.3
120.04419	0.9
120.08051	2.9
123.02816	0.8
127.03873	65.2
129.01840	3.1
129.10197	2.9
130.04964	9.2
130.08647	0.8
131.08626	0.9
134.03603	3.1
135.04378	4.0
136.07570	0.9
143.62747	0.7
145.02823	75.3
145.04881	19.8
147.02841	1.4
147.04408	0.9
147.07703	1.2
148.06017	10.7
149.05969	15.3
149.09566	0.9
151.03883	17.9
151.04984	1.4
153.01811	0.8
159.02852	12.3
177.05426	79.8
181.04973	0.8
186.05429	1.0
213.03900	3.8
231.04942	17.5
249.05992	11.0
253.07269	0.9
287.69604	0.7
301.66260	0.7
339.10495	0.7
458.86328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	1.6
54.08987	0.8
55.01814	5.5
55.05447	10.0
55.92607	0.8
56.04980	0.8
56.18190	0.7
56.40755	0.8
56.41953	0.8
57.03377	1.7
59.04930	0.7
65.03860	1.0
65.50426	0.8
67.05424	9.4
69.03340	13.3
69.06988	38.6
70.06498	4.1
71.01279	1.0
71.04912	8.5
71.73947	0.8
73.02817	1.0
73.06473	3.7
74.82224	0.8
79.05408	16.5
81.03339	5.9
81.06973	12.0
83.04897	85.9
84.04407	1.0
84.08067	1.1
85.02825	8.5
85.06458	1.7
86.09634	1.0
87.00742	1.0
91.05389	16.8
93.06968	15.9
95.01263	1.4
95.04911	10.3
95.08548	4.2
97.02817	2.0
97.06457	69.5
99.04376	12.5
101.05965	4.0
103.03882	1.0
103.05389	1.3
105.03325	1.2
105.06969	60.5
107.04903	6.6
107.08541	11.2
109.02776	1.3
109.06468	13.0
113.80830	0.8
115.05409	1.3
117.06954	12.8
119.04925	4.3
119.08522	10.7
121.06452	44.8
121.10123	1.9
123.08012	3.8
125.05951	86.5
126.06276	1.2
127.03884	2.2
128.06131	1.5
129.06931	4.2
129.10210	1.5
129.91075	0.8
130.07745	4.7
131.04869	1.5
131.08513	25.4
133.06447	9.6
133.10085	5.2
135.04373	1.9
135.08034	1.9
135.11679	4.9
137.02330	1.9
137.05991	6.5
141.01859	3.3
141.06947	2.3
143.07010	48.2
143.08507	6.3
144.09315	4.8
145.02811	1.6
145.06465	14.8
145.10095	100.0
147.08031	4.1
147.11707	1.5
149.05884	1.0
149.09550	1.0
151.07530	7.3
153.01823	1.1
153.06934	1.1
154.07779	3.7
155.08557	4.1
157.10095	1.6
158.07224	13.6
159.08018	11.4
159.11653	37.9
163.07532	2.2
163.11122	18.8
169.10077	10.1
171.07968	1.9
171.11589	1.4
172.08835	4.8
173.09584	75.8
174.10019	1.3
177.05515	1.6
177.12666	11.0
181.04913	13.2
182.07208	1.6
187.11137	53.6
188.11569	1.6
189.12695	1.8
191.10619	16.4
197.09599	6.6
199.07593	1.9
200.08003	1.4
205.12199	38.5
205.14116	1.7
209.11687	4.8
215.10626	43.3
233.11671	31.1
251.12706	13.8
256.06870	1.4
257.08057	1.0
271.05820	1.8
287.05310	4.0
288.05774	4.0
288.08884	1.0
325.16513	1.3
343.17413	4.1
364.91232	1.0
444.55502	1.1
558.46747	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	0.4
53.03895	3.4
55.01807	0.6
55.05451	0.7
56.04995	0.3
57.03374	2.7
57.07008	0.7
61.02864	3.2
65.41339	0.3
67.05424	0.7
69.03351	12.8
69.06991	0.6
70.06509	0.7
71.04915	5.0
72.08059	0.3
73.02835	2.8
75.54293	0.3
76.24330	0.3
76.85262	0.3
79.05402	5.7
81.03339	15.8
81.06975	1.5
83.01251	0.5
83.04900	2.1
84.04420	0.5
84.08070	1.3
85.02831	75.5
86.09637	0.3
91.05388	0.6
93.06976	5.5
95.04884	0.4
95.08544	0.5
97.02826	19.8
97.06478	0.6
99.04389	51.6
100.04690	0.3
101.02299	0.4
103.03883	100.0
104.04240	0.4
107.04893	5.1
107.08535	2.2
109.02834	16.6
110.07166	0.4
115.03848	0.5
119.08489	0.4
120.08083	0.3
121.06436	0.5
125.05950	2.0
127.03880	86.3
128.04228	1.2
133.10100	1.3
135.11674	8.0
139.07523	0.6
145.04944	32.3
149.13316	0.4
153.12733	0.5
163.05991	33.6
172.95459	0.3
177.12737	0.5
183.06497	0.4
187.05998	2.9
195.13768	2.6
205.07018	3.3
271.08069	3.2
289.08841	2.1
307.10168	11.0
308.10556	0.3
313.74222	0.4
336.61273	0.3
381.18643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	1.3
56.04979	1.0
56.54655	0.5
57.07002	2.9
58.06530	1.1
58.39842	0.5
60.08093	25.9
61.87956	0.5
62.06008	0.9
67.05421	4.0
70.06512	0.6
71.07286	10.6
71.08548	1.0
72.52374	0.5
79.05414	2.5
81.06969	3.4
86.09625	80.4
87.09925	0.7
91.05344	0.6
93.06952	1.2
95.05924	0.5
95.08533	2.9
98.98408	6.0
100.71918	0.6
104.10678	94.3
124.99963	47.5
130.01694	0.6
143.00995	1.1
144.31174	0.6
184.07303	100.0
185.07610	0.7
230.24715	9.3
231.25069	2.5
246.64987	0.6
518.32300	5.6
536.25751	1.0
536.33368	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	536.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40934	0.7
52.41182	0.4
55.05437	2.3
56.04966	0.6
57.07003	3.0
57.07282	0.5
58.06524	1.1
60.08096	16.7
62.05996	2.2
67.05418	2.7
69.06980	0.9
71.07288	7.9
71.08538	0.9
74.02893	0.5
79.05391	1.2
81.06960	3.4
86.09624	67.5
87.09966	0.6
91.05363	0.6
92.10385	0.7
93.06951	1.0
95.08539	1.2
98.98396	5.2
104.10674	68.3
107.08561	0.7
124.99955	38.3
143.01013	0.9
149.59091	0.5
167.25163	0.5
184.07292	100.0
197.33209	0.6
212.23665	0.8
216.41045	0.6
230.24748	19.6
231.25101	5.8
283.40356	0.6
348.41650	0.6
518.32269	5.4
536.33319	20.3
537.33575	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46433	0.6
51.77744	0.5
51.84289	0.4
52.98511	0.4
55.05441	3.0
56.04978	1.5
57.00570	0.5
57.07015	0.6
58.06536	0.8
60.08099	24.9
61.06215	0.5
62.10403	0.5
67.05423	4.7
69.06990	2.6
71.07288	11.1
75.16583	0.5
79.05402	1.4
81.06979	3.7
83.18375	0.6
86.09628	78.0
93.06976	1.1
93.73782	0.6
95.08544	1.1
98.98406	5.3
104.10681	100.0
105.06927	0.8
105.11032	0.8
109.10110	1.0
114.16854	0.6
121.10056	0.7
124.99030	1.4
124.99965	42.9
129.92810	0.6
143.01059	0.7
157.05898	0.6
174.59802	0.7
184.07303	85.8
203.51895	0.6
240.09712	0.6
255.19159	0.7
331.05954	0.6
518.32275	5.4
536.33392	24.8
537.33734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	0.3
56.04976	0.7
60.07786	0.4
60.08096	11.5
67.05437	1.4
71.07286	4.8
73.64650	0.1
79.05425	0.3
81.06966	0.9
86.09628	51.5
87.09996	0.3
93.06995	0.4
95.08540	0.8
98.98393	4.0
102.87548	0.2
104.10674	6.3
109.10120	0.3
117.58183	0.2
117.77048	0.2
124.31653	0.2
124.99964	36.1
128.94037	0.2
143.01031	1.2
145.16782	0.2
184.07309	100.0
185.07689	0.8
249.98624	0.2
478.38043	0.2
500.31155	0.3
518.32275	5.7
519.32672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	1.3
56.04750	0.2
56.04969	1.8
56.05198	0.2
57.03373	0.3
58.06534	1.3
59.80058	0.2
60.08094	25.9
61.08436	0.3
67.05424	5.8
69.06982	0.9
70.06503	0.3
71.07286	10.1
72.54157	0.2
79.05415	2.7
81.06975	4.1
82.61788	0.2
86.09624	78.3
87.09962	1.4
91.05410	1.5
93.06972	2.7
95.04861	0.2
95.08539	2.6
98.98387	5.1
100.81357	0.3
104.10677	100.0
105.06969	0.9
105.11039	1.7
107.08530	1.2
109.10101	0.4
111.35012	0.2
116.99473	0.9
117.06972	0.3
121.10075	0.9
124.99960	47.2
126.00282	0.2
131.08522	0.5
133.10069	0.3
143.01038	1.4
149.13205	0.3
163.01535	0.4
164.37462	0.2
184.07297	97.0
185.07619	2.2
194.97821	0.2
258.10797	0.4
263.82535	0.2
297.23508	0.2
306.12439	0.3
500.31265	4.4
518.32324	32.2
519.32562	1.7
536.32574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75740	0.8
58.46938	0.9
60.08094	11.0
71.07294	4.3
81.06966	1.2
86.09634	57.4
86.10165	1.9
98.98402	4.2
104.10683	11.0
121.63174	1.1
124.99972	39.4
168.14200	1.0
184.07321	100.0
185.07735	1.1
187.91196	1.0
190.94580	0.9
277.63406	1.0
415.06992	1.3
416.08487	1.2
450.24295	1.1
518.31769	2.1
536.33319	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	536.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95240	0.4
55.05450	0.7
56.04966	0.7
58.06513	0.4
60.07787	0.7
60.08094	18.5
62.41702	0.4
67.05425	3.6
69.06984	0.7
70.56470	0.4
71.07277	7.1
79.05409	0.9
81.06974	4.4
86.09626	70.9
87.09951	0.8
93.06958	2.0
94.67879	0.5
95.08522	2.6
98.98385	4.5
104.10677	69.1
105.11019	1.0
108.71407	0.5
121.10066	0.5
124.99965	42.0
136.07535	0.5
141.55563	0.5
143.01007	1.2
160.28839	0.5
184.07301	100.0
185.07707	0.6
209.08847	0.5
284.75284	0.5
306.72925	0.6
500.31122	3.3
518.32367	25.2
519.32489	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	536.371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18187	0.4
54.81403	0.5
55.05455	3.5
56.04976	0.9
56.61170	0.4
57.03358	0.6
57.06995	2.6
58.06525	1.0
59.07327	0.5
60.08096	25.5
62.27370	0.5
65.20872	0.4
67.05420	1.9
69.06995	3.5
71.07293	11.4
71.08571	0.6
74.58756	0.4
79.05384	0.6
81.06983	1.8
81.85580	0.5
83.08511	1.9
86.09628	78.6
87.09957	0.7
88.00791	0.5
89.21595	0.5
94.75940	0.4
95.08521	2.4
97.10085	0.7
98.98388	5.8
104.10680	100.0
105.11044	0.5
124.99964	45.1
142.88177	0.6
143.01077	0.9
184.07306	100.0
370.76602	0.6
518.35846	5.7
536.37018	29.0
536.45209	0.9
537.37665	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27939	0.9
53.49899	1.0
55.05445	2.6
56.04959	2.4
57.07004	1.8
62.06017	26.4
67.05419	8.5
69.06995	4.1
72.08076	2.3
72.21928	1.1
74.05986	9.1
79.05405	6.7
81.06967	13.2
82.06507	1.3
83.08531	2.2
85.10106	5.5
86.09600	3.7
91.05375	2.4
91.63107	1.1
93.06982	7.4
95.08534	31.0
100.07571	8.2
105.06998	9.2
107.08541	11.1
109.10105	4.7
113.09590	2.1
114.09129	4.8
117.07000	1.1
119.08538	7.0
121.10119	9.3
123.11649	1.8
124.99955	1.7
131.08533	1.6
133.10089	9.3
135.11725	4.8
143.08594	1.5
145.10150	5.2
147.11693	5.8
149.13269	1.3
157.10022	1.6
159.11679	5.8
161.13280	4.9
171.11728	1.4
172.95241	1.4
173.13258	1.9
175.14769	1.4
184.07336	5.9
187.14803	1.2
199.14687	1.3
201.16283	1.3
213.16466	2.0
229.14055	1.2
255.20990	4.3
295.24243	1.4
458.39920	12.8
518.41901	45.3
519.42249	1.6
536.42993	100.0
537.43585	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	536.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10349	1.4
55.05441	8.1
56.04972	4.1
57.07001	2.4
60.08083	1.7
61.53975	1.6
62.06011	26.7
67.05417	8.3
69.06970	4.1
71.04917	2.2
71.08543	12.1
71.51974	1.7
72.08053	2.2
74.05994	13.4
79.05414	8.3
81.06971	21.1
83.08524	6.9
86.09634	4.7
93.06980	14.0
95.08509	17.0
100.07549	11.3
105.06980	11.3
107.08537	16.6
109.10101	7.7
114.09131	2.9
119.08536	11.0
121.10110	14.7
123.11662	2.6
128.63965	1.9
131.08519	3.6
133.10094	9.2
135.11642	3.3
145.10085	3.9
145.73006	1.9
147.11670	7.6
149.13235	2.3
159.11694	4.3
161.13277	3.3
171.11653	2.4
172.95250	1.8
173.13271	2.8
175.14740	2.6
184.07275	10.5
278.95587	2.4
284.38831	1.8
306.28143	2.6
458.39865	8.8
501.88031	2.0
518.41852	44.1
536.42981	100.0
537.43243	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	537.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02327	0.4
51.82632	0.3
53.03888	2.7
55.01812	2.1
55.05452	0.6
56.04972	1.6
57.03383	0.8
60.33344	0.4
61.02848	1.0
62.06012	2.8
63.02294	0.8
65.03857	0.5
68.99710	0.7
69.03355	6.8
70.02866	0.4
70.06515	8.7
71.04889	1.3
72.08070	1.5
73.02837	1.9
73.69217	0.3
74.06007	0.5
74.54845	0.4
75.03991	0.4
75.48264	0.4
76.02151	0.5
78.04640	2.0
79.05392	0.8
81.03334	6.5
81.06966	0.5
83.01227	0.4
84.04438	4.1
84.08087	3.4
85.02838	11.8
86.09625	2.1
87.00761	5.8
87.04399	0.6
89.03840	20.0
91.05403	2.6
93.06969	0.8
95.04910	1.7
95.08530	0.8
97.02840	5.6
99.04388	2.6
102.05467	0.6
103.05397	0.7
105.01817	2.6
105.03352	0.5
106.04122	0.6
107.04900	6.9
107.08559	0.5
109.02834	6.1
110.07124	2.0
117.03332	53.3
118.03665	0.9
119.04875	1.6
120.08057	0.8
121.02818	0.6
121.06477	0.6
124.05167	0.6
127.03895	7.1
129.10184	0.5
133.10022	0.4
134.03593	3.8
135.04401	5.9
136.07562	0.8
141.05469	0.7
145.02831	100.0
146.03192	2.4
147.04332	0.5
149.02335	7.5
149.05971	19.7
151.03894	11.5
151.05032	1.3
152.04263	0.5
153.01794	10.2
158.02682	0.5
158.06000	0.6
159.02887	2.9
163.03897	1.8
165.80064	0.4
167.03340	0.9
170.10045	0.5
171.02829	0.4
177.05440	96.6
178.05757	1.8
181.04930	3.5
181.13290	0.4
183.02869	0.4
186.05449	0.7
193.06537	0.6
195.02809	1.7
199.07455	1.9
204.57141	0.5
215.07024	7.5
216.10492	2.0
225.05522	0.5
227.06963	0.8
242.06006	0.4
243.06523	3.6
255.06458	2.1
271.06018	2.7
289.04208	0.6
289.07324	5.2
313.07126	0.6
322.10587	0.6
372.77386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13696	0.2
51.80369	0.3
53.00253	0.3
53.03885	1.9
55.01809	2.4
55.05452	0.3
56.04965	0.8
56.96485	0.3
57.03365	1.8
61.02853	2.2
63.02299	0.7
65.03873	0.7
65.22059	0.4
67.05426	1.6
68.99698	0.6
69.03002	0.6
69.03346	10.3
69.07009	0.3
70.06503	8.0
71.04900	1.6
72.08068	0.6
73.02822	2.3
78.04641	0.7
79.05410	0.4
81.03329	6.0
82.03672	0.6
84.04423	11.3
84.08067	3.5
85.02824	24.6
85.04774	0.6
85.06447	0.4
86.03179	1.8
86.09633	1.3
87.00750	11.2
88.01052	0.4
88.03919	0.4
89.03831	20.6
91.05385	5.9
92.05732	0.7
92.10245	0.7
93.06992	0.4
95.04891	2.1
97.02814	10.1
98.03140	1.3
99.04393	3.7
102.05458	3.9
103.05418	1.5
105.01806	11.5
105.03313	0.4
105.06947	0.8
106.02166	0.3
106.04129	0.6
108.02060	0.8
109.02811	6.8
110.03151	0.6
110.07117	1.7
111.04353	0.4
115.08622	0.4
116.98562	0.4
117.03321	55.2
118.03685	0.7
119.04861	0.7
120.08052	1.5
120.45701	0.3
121.06422	0.4
123.15096	0.3
124.05183	0.7
127.03868	13.1
128.04225	2.2
129.01740	0.8
129.10176	1.8
130.04962	3.9
134.03584	6.1
134.19200	0.3
135.04364	4.8
136.07590	0.5
137.05902	0.4
141.05449	1.7
145.02814	100.0
145.04895	4.2
146.03116	2.5
147.04366	0.5
148.06009	4.3
149.05939	19.4
149.09569	0.4
151.03882	19.4
151.04999	2.0
158.06027	0.5
159.02876	2.1
163.03873	1.6
177.05418	91.0
178.05820	2.9
184.97195	0.3
186.05438	1.9
209.11636	0.6
213.03819	0.6
231.04947	3.1
232.05292	0.4
249.05971	1.6
255.06493	0.5
283.61664	0.4
427.12973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72240	0.4
56.96508	0.6
70.06516	2.5
74.02353	0.6
74.35274	0.6
76.55778	0.7
80.62233	0.5
84.04408	0.9
86.09642	0.9
87.51742	0.7
116.07043	2.8
117.06956	0.9
118.06496	23.0
118.07313	1.0
130.06525	2.7
130.32376	0.6
132.08029	7.4
137.49704	0.6
142.06502	2.1
143.07317	2.8
144.04411	0.8
144.08060	18.0
145.02896	1.0
146.05983	90.2
147.04370	0.7
147.06357	3.5
159.09175	8.6
160.07532	1.0
170.05984	6.4
188.07022	100.0
189.07368	2.5
205.09685	25.6
261.05600	1.0
294.61240	0.6
316.86279	0.6
386.81046	0.6
479.32111	0.7
495.22580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3033
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
55.05456	0.7
57.07018	0.7
60.08097	0.5
61.39087	0.4
62.06015	3.6
66.80133	0.4
67.05428	1.8
69.07009	0.7
74.06006	0.7
81.06985	1.0
85.10143	0.5
86.09623	2.7
91.05391	0.6
92.10902	0.7
93.07004	0.7
95.08546	3.8
100.07558	0.7
104.10678	1.8
105.06984	0.7
107.08593	0.8
119.08548	0.9
124.99997	0.8
172.95291	0.6
184.07300	4.7
190.96356	0.7
228.97943	0.5
431.01297	0.5
458.39389	0.7
459.40155	0.8
518.41974	2.4
519.42004	2.6
536.42871	6.6
537.30261	100.0
537.43524	5.8
537.80334	0.6
538.30518	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	537.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00250	0.4
53.83566	0.3
55.05438	0.5
57.06766	0.5
57.07018	5.2
61.07611	1.1
67.05418	0.9
71.08546	2.6
78.63031	0.5
81.06973	0.8
85.10088	0.7
95.08559	0.8
96.30807	0.4
97.07574	0.7
121.83688	0.4
141.73813	0.4
244.30481	0.5
281.26355	0.7
281.29456	22.1
282.27856	100.0
283.28067	3.1
299.30502	14.8
300.30756	0.7
361.42020	0.5
383.09717	0.5
537.53528	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	538.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97577	0.2
53.00219	0.2
53.03893	2.3
55.01814	2.5
57.03376	1.8
60.56171	0.2
61.02846	1.2
67.01797	2.3
67.05397	0.3
68.99715	2.1
69.03349	9.1
70.06495	0.3
71.04897	1.2
73.02833	2.0
79.05379	0.3
81.03339	9.2
83.01257	0.6
85.02830	18.4
87.00756	7.2
87.04385	0.2
89.13195	0.2
91.03873	0.5
91.05399	1.4
93.06989	0.4
95.04903	0.3
95.08512	0.4
97.02821	5.9
99.04383	3.8
105.01811	3.3
107.04893	1.0
109.02837	7.2
109.68771	0.3
117.01785	1.2
119.04886	3.1
121.06455	1.2
123.04386	1.0
127.02926	0.5
127.03873	11.5
129.01820	2.0
135.11714	0.3
135.69908	0.3
136.92725	0.2
145.04942	4.9
147.04393	15.4
151.03822	0.8
153.01805	100.0
154.02130	0.4
159.02856	5.2
171.02853	12.2
179.03331	1.7
183.02832	0.2
195.02858	2.6
213.03879	0.4
219.02806	0.3
231.04718	2.3
249.86267	0.3
261.03873	1.0
273.07520	45.8
274.07916	0.4
286.02289	0.3
297.07544	1.1
301.59818	0.3
315.08575	2.1
339.08450	1.0
381.09583	1.0
461.90237	0.3
503.11948	0.4
521.13092	0.9
537.23010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.8
55.01812	0.7
55.05436	0.9
57.03362	1.0
67.01778	2.6
67.05421	1.0
68.99703	1.0
69.03345	8.9
69.06973	1.8
70.06487	1.9
71.01276	0.5
71.04914	0.7
79.05417	0.8
81.03340	6.3
81.06979	3.2
81.91517	0.4
84.04408	0.9
84.08051	1.7
85.02827	11.2
85.06434	0.4
86.09623	0.8
87.00746	4.5
87.04372	0.7
87.42035	0.5
87.42550	0.4
91.05406	3.5
93.07010	1.5
95.04897	1.7
95.08535	1.7
97.02825	14.4
97.06447	0.6
99.04376	3.1
105.01799	2.2
105.06963	2.0
107.04884	2.2
107.08495	1.4
109.02825	2.4
109.10120	0.6
116.98603	0.5
119.04893	9.7
119.08537	0.7
120.08047	1.7
121.06484	0.7
121.10046	0.9
123.03597	0.4
123.04350	3.1
126.84710	0.4
127.03879	8.3
131.08485	0.5
133.10104	1.0
136.07481	0.4
137.05951	3.0
145.04944	3.0
145.10106	0.6
147.04388	42.5
147.11702	0.5
148.04701	0.5
151.03897	3.3
151.05084	0.4
153.01799	100.0
154.02087	0.9
156.28296	0.4
157.06416	0.4
161.05949	0.5
161.09482	0.5
163.03802	0.4
163.07518	0.6
171.02841	19.8
175.03996	0.5
175.07393	0.5
177.05438	0.5
179.03351	1.7
181.04999	0.4
186.09120	0.9
188.06992	0.6
207.06479	0.5
231.04922	0.9
255.06294	0.5
271.05869	0.7
273.07507	100.0
274.07889	3.5
498.48349	0.5
540.93268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	0.8
54.00056	0.3
55.01804	2.0
57.03364	1.9
57.11338	0.4
61.02848	0.9
69.03352	6.0
70.06496	0.9
71.04884	0.4
72.08001	0.4
73.02814	0.4
79.05418	2.3
79.37090	0.3
81.03326	2.4
81.06974	0.8
81.63068	0.3
83.04909	0.4
84.04459	0.5
84.08073	0.6
85.02825	13.2
85.08227	0.4
86.09604	0.7
87.04379	0.6
91.03874	0.4
91.05397	6.8
93.06973	0.7
94.04121	2.3
95.04893	0.5
97.02819	4.8
99.04417	0.4
99.73324	0.4
103.05408	9.4
104.15438	0.3
105.06973	7.0
107.04890	2.8
109.02809	0.8
109.06470	2.6
115.05395	3.2
117.06980	3.3
119.04923	0.4
119.08543	7.7
121.06455	0.7
122.03600	6.4
126.88125	0.4
127.03899	2.6
128.06160	2.3
129.06950	3.8
130.82167	0.3
131.04897	17.5
132.05701	5.1
133.06458	4.9
135.07990	0.7
135.99329	0.4
137.05956	100.0
138.06297	1.8
141.06998	0.5
143.04913	0.4
144.05623	0.4
145.04895	0.5
145.06435	2.3
146.03563	0.5
147.04350	0.9
147.08028	9.7
149.05957	2.1
151.03845	0.4
151.07501	0.4
155.04890	0.5
157.06458	1.6
159.08040	2.8
160.05159	5.3
161.05963	8.9
163.07512	17.4
169.06483	0.9
172.05193	0.5
173.05952	0.6
175.00671	0.4
175.07513	57.3
176.07829	1.8
179.08611	0.5
184.05173	0.7
186.06760	0.6
186.77681	0.4
187.07495	5.2
189.09065	0.8
190.07764	1.7
191.08559	4.5
193.08563	6.4
199.07503	6.7
201.09056	0.7
202.07729	1.7
203.06772	0.5
203.08478	3.8
205.06502	0.6
208.08806	0.4
218.07251	1.8
219.08012	7.4
220.08757	2.1
221.05908	0.5
221.09564	0.5
231.08032	6.7
232.08612	0.4
235.07442	0.7
235.11295	0.4
236.08246	1.9
247.07489	4.0
248.08212	3.0
249.08913	0.6
251.10616	10.9
252.11186	0.4
259.07458	4.0
260.08194	2.7
261.09048	1.4
263.10632	2.3
264.07721	0.6
265.08557	0.5
276.07751	2.0
277.08499	2.4
279.10083	7.1
280.10788	0.7
281.08148	0.6
287.05124	0.5
291.10098	6.2
292.10828	1.5
296.10501	0.8
309.11151	0.8
310.11905	0.4
311.12741	15.4
312.12805	0.6
323.12692	10.8
325.14349	3.1
341.13773	1.7
379.80627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	1.2
53.03877	2.0
54.29917	0.4
55.01567	0.5
55.01805	3.2
55.05191	0.9
55.05452	21.4
57.03374	20.7
57.07001	4.6
58.03686	0.5
59.04931	5.7
61.02839	2.3
65.51218	0.5
66.26436	0.5
67.05425	11.3
69.03352	60.9
69.06990	7.6
70.06512	7.0
71.04925	4.2
72.08052	1.8
73.02838	3.4
75.04391	4.0
76.56213	0.5
79.05414	7.6
81.03339	4.6
81.06975	20.3
83.04901	25.1
83.08538	19.3
84.04422	5.5
84.08075	2.0
85.02828	38.8
85.06471	7.7
86.09624	0.6
87.04396	28.7
91.03867	0.8
91.05411	9.1
92.10902	0.6
93.06971	14.1
95.04897	18.9
95.08537	10.2
96.90948	0.5
97.02826	37.7
97.06461	16.1
97.10088	3.0
99.04395	5.8
99.08024	0.9
102.05415	0.5
103.03854	1.1
105.06985	18.3
107.04910	0.8
107.08539	29.3
109.02830	2.4
109.05722	1.1
109.06470	32.1
109.10108	35.2
110.07092	0.9
111.04385	2.6
111.08015	7.2
113.05927	0.6
113.09581	2.2
115.03880	24.0
115.07523	3.4
116.07029	0.7
117.06950	2.0
119.04942	0.5
119.08532	10.4
120.08052	2.2
120.08842	0.5
121.06467	2.1
121.10101	25.0
123.04412	1.0
123.08027	6.2
123.11652	11.8
125.09589	6.6
127.03872	5.6
127.07500	1.9
129.06978	0.6
129.10161	0.6
130.04985	0.7
131.08537	17.1
133.04938	21.0
133.10100	52.6
134.10451	1.1
135.08022	6.9
135.11664	2.9
135.78850	0.6
136.07472	0.5
137.05910	0.7
137.09615	1.2
137.13226	0.8
139.11147	3.3
143.08534	2.2
145.04945	3.3
145.10104	8.6
147.11671	17.0
149.02274	0.7
149.09624	4.1
149.13237	10.2
150.07574	0.8
151.11166	20.7
153.09079	9.5
158.10852	4.2
163.07413	0.6
163.11140	1.1
163.14809	5.0
165.12727	6.6
167.10553	0.7
167.14285	25.0
169.04922	0.6
171.10133	1.0
171.11531	0.6
173.13219	23.5
174.13609	0.8
175.10817	0.5
181.12196	1.0
188.22551	0.5
191.10672	0.7
191.14276	20.0
192.14708	0.8
209.15337	100.0
210.15727	2.5
227.13043	3.5
227.16386	20.5
259.08017	1.0
277.08984	0.6
295.09921	0.9
341.19608	1.1
417.91162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	1.9
56.04957	1.0
57.03362	0.3
58.06522	1.8
60.08096	23.0
67.05431	2.6
69.06988	2.5
70.06500	0.3
71.07291	10.0
73.65430	0.3
73.66460	0.3
75.26749	0.3
79.05430	0.5
81.06977	4.0
83.08549	0.7
85.56802	0.3
86.09628	71.8
87.09942	0.6
93.06982	1.4
95.08533	2.7
97.10075	0.4
98.98392	4.8
104.10681	100.0
105.06977	0.4
105.11016	0.7
107.08531	0.4
109.10079	0.3
113.87051	0.3
119.08535	0.3
124.99964	42.4
126.00172	0.4
143.01022	1.2
163.01501	0.4
184.07309	93.2
185.07585	0.7
238.17184	0.3
247.21213	0.4
247.23926	0.3
258.10837	0.4
273.24460	0.4
310.17737	0.3
337.27264	0.4
371.39801	0.3
456.08133	0.3
476.17542	0.3
520.33923	6.5
538.34943	34.1
539.35199	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04360	0.4
58.06540	0.5
60.07829	0.5
60.08098	10.6
63.07981	0.4
67.05427	0.5
69.06992	0.6
70.75394	0.4
71.07294	4.6
71.94145	0.4
73.00181	0.4
81.06955	0.9
82.00472	0.4
83.04913	0.6
83.08511	0.4
85.02824	0.9
86.09628	47.9
87.28784	0.5
95.08522	0.6
98.98393	3.0
104.10686	11.3
107.08459	0.5
108.15208	0.4
121.13220	0.4
124.99965	34.4
143.00969	0.5
149.39453	0.5
178.30736	0.5
184.07314	100.0
185.07689	1.0
226.49226	0.5
302.88123	0.5
345.25406	0.6
420.74780	0.6
520.33795	2.3
538.35168	8.8
551.87250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21328	0.6
52.35093	0.6
53.07482	0.5
57.07017	0.7
57.95886	0.6
60.08093	12.2
71.07281	5.1
75.75259	0.6
84.49245	0.6
86.09630	56.8
93.06762	0.6
98.98376	3.8
104.10679	3.5
104.73434	0.6
124.99966	40.1
143.01064	1.0
152.29593	0.7
167.86469	0.6
184.07309	100.0
185.07695	0.8
203.27068	0.7
249.18587	0.7
273.25021	0.7
275.30505	0.7
340.83466	0.7
358.33115	0.8
538.34711	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	538.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49897	2.2
55.05213	3.1
55.05448	40.9
57.07002	4.0
67.05427	24.6
69.06985	12.7
70.06505	6.3
71.04910	3.8
78.08966	2.6
79.05394	15.5
81.06969	38.7
82.06490	6.8
83.04887	16.9
83.08543	41.0
84.08070	7.1
84.77665	3.5
85.02822	3.3
85.06477	5.3
86.09620	3.4
93.06963	33.2
95.08533	12.5
95.75498	2.6
97.02826	3.0
97.06447	22.6
100.07516	23.4
100.11183	65.2
106.61636	2.8
107.08534	30.1
109.10109	6.6
110.09452	3.0
111.04382	27.6
112.07519	12.4
119.08501	3.0
120.08083	4.6
121.10094	20.0
127.03868	4.2
128.07086	23.7
130.44630	3.1
140.07057	5.9
149.13219	72.8
156.79961	2.8
164.14270	2.7
167.14258	5.2
182.15376	92.7
184.07274	4.6
184.16908	49.9
192.13748	3.6
192.37296	2.9
209.16487	11.3
210.14847	81.0
226.19052	3.6
228.15787	11.5
245.18645	3.8
250.21576	3.1
255.86079	2.7
266.21069	42.2
294.20499	27.7
336.22568	3.3
337.21118	13.0
355.22168	4.8
393.30978	3.9
515.67975	3.0
520.37292	36.0
538.38367	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	539.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54369	2.0
53.03878	9.8
55.01814	4.9
55.05453	29.9
56.04966	5.0
56.96498	10.3
57.03374	5.7
57.07002	5.1
59.04922	2.8
59.46194	2.3
61.02834	3.3
67.05429	71.3
69.03354	19.8
69.06987	20.7
70.06511	33.9
71.04896	16.0
71.08548	3.3
71.48690	2.0
72.08073	9.6
73.02807	4.0
75.25134	2.0
79.05412	24.7
81.03336	20.4
81.06516	3.5
81.06974	100.0
83.04916	2.8
83.08530	11.2
84.04437	18.7
84.08064	34.5
84.95967	5.6
85.02822	52.1
85.06462	4.2
86.09625	9.9
87.00752	16.0
91.05413	27.6
93.06982	31.6
95.04839	2.9
95.08530	98.9
97.02824	22.5
97.06427	3.3
97.10091	13.6
98.97506	3.7
99.04369	15.3
99.08031	2.8
102.05418	2.9
103.03884	11.6
105.01780	5.5
105.03343	10.4
105.06992	4.8
107.08546	20.8
109.02830	19.4
109.10081	37.1
110.07106	15.8
111.11654	2.6
116.07053	2.8
116.98587	5.1
119.08594	2.8
120.08050	2.9
121.10103	36.8
123.11671	27.6
127.03874	31.6
128.04239	3.6
129.10159	9.2
131.08508	3.2
133.10062	2.8
135.11665	29.7
137.13220	11.5
145.04936	5.1
149.13234	10.6
158.02734	2.9
163.14803	2.9
194.81505	2.5
197.01170	4.6
197.11647	3.8
198.11955	4.6
215.02306	17.1
219.21016	13.0
237.22096	13.5
255.23129	28.5
273.24112	22.6
281.02975	2.6
291.25183	4.4
385.28369	2.4
454.47192	2.7
539.20544	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	540.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	3.2
55.01810	5.5
55.29614	0.5
57.03362	1.1
60.40009	0.6
61.02851	0.7
65.03865	5.5
67.05428	3.1
70.06508	8.2
71.04910	0.8
71.17049	0.5
73.05686	0.5
75.04396	9.3
76.56053	0.6
78.04646	5.1
79.05415	5.1
81.03345	1.0
81.06968	1.1
84.04436	4.1
84.08073	1.2
85.02819	8.4
86.09648	0.7
89.03835	3.5
89.05946	1.2
91.05400	29.6
93.03329	22.3
93.06964	12.3
95.04889	13.5
95.08527	0.8
97.06474	6.0
99.04405	0.7
102.05448	0.8
103.05393	13.5
105.04477	1.2
105.06977	2.7
106.04113	72.3
107.04967	5.9
108.05658	1.0
109.06463	2.7
110.07153	2.5
111.04394	1.2
117.03344	3.0
118.04065	2.1
119.04907	3.2
121.06449	71.7
122.07270	0.8
123.04366	4.2
123.07977	2.3
124.05149	2.7
125.05952	17.4
129.06927	2.3
131.04898	4.8
131.05862	0.6
131.08534	1.2
134.03603	11.8
135.04382	2.4
137.05942	12.2
138.06740	2.6
139.07544	5.6
141.06947	1.0
145.02815	3.3
146.54257	0.6
147.04393	0.6
148.05167	6.8
149.05949	90.2
150.06396	1.1
151.03918	2.8
151.07521	3.8
152.08282	1.4
153.05479	4.2
153.09079	22.1
157.06461	0.9
159.08023	1.0
161.05867	1.0
162.01273	1.0
163.03839	1.3
163.07480	5.4
165.05469	2.3
165.09081	0.9
166.06210	3.4
167.06990	7.2
174.06747	2.5
175.07532	0.8
177.05418	39.5
180.07780	1.3
181.04948	1.0
181.08546	29.4
182.09122	0.8
189.09021	6.2
191.07024	3.4
201.09077	1.2
208.01970	0.9
209.08047	100.0
210.08453	1.4
219.10091	15.8
221.67363	0.6
223.04182	10.7
231.09741	0.7
312.08875	0.9
560.01367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61293	0.1
53.03872	0.3
54.49242	0.1
54.81532	0.2
55.01805	0.6
55.05449	19.0
61.05442	0.1
63.79925	0.1
65.03864	1.5
67.05419	1.9
72.93658	0.1
77.03828	0.2
80.02532	0.2
83.01251	0.2
83.04897	31.9
84.05238	0.2
85.02839	0.3
92.10295	0.3
93.03314	0.2
95.04884	1.4
101.05961	0.3
106.28432	0.1
107.35056	0.2
108.02034	2.4
109.02822	0.7
111.00735	0.2
111.04397	1.0
136.01505	0.4
138.92368	0.1
141.05432	6.1
149.69556	0.2
151.03882	100.0
151.04985	9.9
152.04196	1.7
155.25616	0.1
169.04912	0.2
178.46083	0.1
179.09621	0.1
184.07314	0.3
229.07085	0.9
257.06445	2.6
297.05997	0.6
297.84265	0.2
325.05557	0.6
339.10687	1.6
357.11499	0.2
379.10254	0.2
404.46054	0.2
407.09589	0.8
425.10849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96494	0.4
60.81095	0.2
62.62185	0.2
69.03391	0.2
70.06503	0.3
72.38332	0.2
79.05408	0.8
81.86453	0.2
84.04451	0.3
85.02797	0.5
86.09612	0.5
91.05389	0.9
93.06953	1.1
103.05390	5.1
107.04884	2.7
119.04878	1.2
120.08051	100.0
121.08397	1.6
126.95558	0.2
131.04884	2.6
135.04381	0.4
137.05965	0.9
145.55623	0.2
147.04367	1.9
149.05969	2.5
166.08589	22.3
167.07048	0.3
167.08904	0.4
179.06979	1.3
200.09090	0.3
339.11166	1.2
379.66656	0.2
379.71701	0.2
483.15375	0.9
543.12329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	0.5
55.05219	0.5
55.05452	8.9
59.59404	0.3
63.72131	0.3
65.03852	0.5
67.05412	1.9
69.06993	0.5
70.06506	0.7
70.74538	0.3
71.04896	0.6
79.05417	0.4
81.06995	0.5
83.04897	14.0
84.08074	0.8
85.02843	1.0
86.09611	1.9
88.30994	0.4
90.76968	0.4
91.05378	0.5
92.10178	1.1
93.06953	0.7
94.06534	0.5
97.02822	1.7
104.71901	0.4
105.06972	0.6
107.08544	0.5
108.01992	0.7
108.08037	2.4
121.10072	0.4
121.53182	0.5
122.06004	1.7
125.36982	0.4
127.03839	0.7
129.10202	0.5
140.07039	1.7
141.05450	2.6
143.14360	0.4
146.09607	0.6
150.09140	2.2
151.03883	39.0
151.04988	3.6
152.04182	0.9
172.03929	0.5
176.07013	0.8
184.07323	1.8
188.03255	0.4
204.06512	0.8
205.07230	0.5
207.09117	0.4
209.10651	0.5
223.12251	5.6
224.12956	2.4
225.13948	0.6
235.08638	2.8
235.12247	0.6
236.09392	1.6
236.12915	0.6
237.10152	15.4
237.13635	2.7
238.10847	1.6
238.14516	0.7
239.11667	0.5
239.15413	0.6
248.31635	0.4
249.10185	7.4
250.10933	6.1
251.11731	46.3
252.12303	4.7
253.13315	0.6
257.06393	1.6
263.07913	0.4
263.08920	0.5
263.11722	9.2
264.09262	0.8
264.12518	5.0
265.09686	18.7
265.13297	32.3
266.10178	1.6
266.13611	2.1
267.11215	1.6
267.14789	0.4
268.12015	2.6
269.12775	3.4
270.13535	0.5
275.11765	0.5
277.09738	1.7
278.10443	0.8
279.11227	19.9
279.14377	0.7
280.11670	0.7
281.12766	2.6
282.13547	6.5
283.14328	19.4
284.14572	0.6
291.11255	4.7
292.11929	2.3
293.12766	11.8
294.13470	1.5
295.10825	1.8
295.14288	0.4
296.11655	0.7
297.12323	7.8
298.12790	0.9
309.12338	7.3
310.13086	14.4
311.13834	33.6
312.14194	1.9
319.10718	3.2
320.11365	2.7
323.13928	2.1
324.14542	0.8
325.15286	0.8
329.14911	0.8
337.11774	7.2
338.12476	5.4
339.13303	0.9
341.14917	1.6
342.15698	1.4
351.13550	1.4
352.14084	10.2
353.14465	0.8
369.14407	6.3
370.15134	100.0
371.15460	7.6
380.05307	0.4
401.16846	3.6
402.17648	0.9
407.44110	0.4
478.19733	2.7
492.21313	1.7
510.22229	31.1
511.23026	3.2
542.24524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77786	0.3
55.01799	0.8
55.05444	0.4
56.04964	0.4
57.03360	0.6
61.02842	0.6
63.83838	0.3
64.28583	0.3
65.71748	0.3
66.17575	0.3
67.05414	2.2
69.03336	2.3
69.06983	0.3
70.06508	11.2
70.85437	0.3
71.06824	0.3
71.13982	0.3
72.08064	0.6
79.05403	2.6
81.03317	1.4
81.06961	2.0
83.05997	0.4
84.04433	3.9
84.08061	6.6
85.02829	6.7
86.09633	1.6
91.05409	3.9
93.06954	1.3
94.04105	1.9
95.04877	0.5
95.06026	0.3
95.08531	2.2
97.02823	2.2
102.05499	0.4
103.05398	6.8
105.06464	0.3
105.06982	4.9
107.04905	1.3
107.08513	1.4
109.02834	0.5
109.06474	1.6
109.10105	3.3
110.07148	2.6
115.05392	0.8
116.07050	0.4
117.06983	1.3
119.04893	2.0
119.08553	0.8
120.08041	0.8
121.06456	3.0
121.10119	0.4
122.03611	5.7
123.07956	0.6
127.03866	1.7
128.06155	1.4
129.06923	0.5
129.10191	0.8
131.04890	10.3
131.08513	0.4
133.06450	15.7
135.08015	5.8
136.07481	0.4
137.05949	100.0
137.09471	3.3
138.06293	2.2
138.09935	0.5
143.08553	2.1
145.02768	0.5
145.04892	0.8
145.06448	4.1
147.08018	0.6
149.05965	1.5
151.07524	6.2
157.06471	1.4
162.88084	0.4
163.07500	21.7
164.07843	0.6
165.09058	1.5
171.08031	2.3
174.06708	0.8
175.07487	2.8
177.05450	0.8
177.09065	0.5
187.07590	0.6
188.08292	1.3
189.09027	2.7
193.06380	0.5
193.08566	0.7
199.07404	0.6
203.10651	2.9
209.08011	0.4
211.09601	0.6
235.11040	0.7
245.09521	0.7
248.08221	0.4
255.06375	2.8
263.10669	0.8
295.13181	8.2
306.60605	0.3
327.15842	14.5
328.15994	1.2
345.16998	2.2
524.24854	1.3
542.19159	0.5
542.26343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65071	0.5
55.05437	3.7
56.04951	0.8
57.03360	0.9
57.36575	0.5
60.08098	7.0
63.04021	0.7
64.79065	0.5
67.05447	5.5
69.06967	4.1
71.07291	6.6
71.52769	0.6
75.04005	0.6
79.05418	2.6
81.06978	5.6
83.08529	0.8
86.09629	27.9
93.06972	1.6
95.08514	3.8
100.87553	0.6
104.10680	100.0
105.06985	0.7
146.98146	13.7
209.71155	0.7
241.79619	0.7
260.42368	0.7
337.27191	3.8
483.24683	34.7
484.25171	1.2
542.32056	26.4
542.40314	1.1
543.32373	2.6
555.66602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75376	3.0
54.81928	3.1
55.01807	3.3
55.05451	87.4
57.03366	15.1
57.07000	4.6
67.05076	4.7
67.05429	87.6
69.06665	3.4
69.06981	33.3
76.56454	3.0
79.05406	33.0
81.06982	67.8
83.08543	52.1
89.05943	14.6
91.05416	15.3
93.06969	20.6
95.08539	33.9
97.10104	99.1
105.06963	5.8
107.08537	38.2
109.10123	12.2
119.08500	4.1
121.10145	4.1
125.09591	66.3
133.08545	4.1
135.08029	5.6
153.09145	3.8
189.11179	45.9
227.12714	85.5
245.13826	37.9
322.91144	3.2
328.20267	5.1
337.27182	28.4
507.36761	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	1.2
54.81591	1.2
55.05453	5.1
57.06743	2.5
57.07011	54.2
59.04923	1.7
63.15034	1.1
64.33271	1.4
67.05418	1.5
68.12403	1.2
69.06992	2.9
70.86218	1.4
71.08543	35.5
73.06455	8.7
79.05405	1.3
80.95714	1.1
83.08537	1.9
83.78626	1.5
84.04414	1.4
85.09617	1.9
85.10098	23.1
86.09623	1.9
87.04388	5.6
89.05948	100.0
92.63805	1.4
95.02498	1.2
97.10109	2.7
99.11669	1.7
104.10692	2.2
107.07013	6.8
117.09061	5.0
133.08566	34.6
155.17889	2.2
177.11179	13.3
184.07324	1.3
221.13690	1.8
243.23061	5.6
253.87698	1.3
283.17410	2.1
287.25693	6.0
371.22540	9.9
525.39978	19.3
542.42291	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	543.132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11732	0.9
56.35928	0.9
58.20250	0.9
64.97111	0.9
84.59612	1.1
97.35093	1.1
112.53211	1.2
119.69700	1.1
138.50128	1.2
142.29395	1.0
148.67012	1.0
200.07753	1.2
252.24316	1.1
265.64233	1.1
328.23288	1.1
370.43048	1.1
381.07822	11.7
543.13110	100.0
544.13458	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	543.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08984	0.3
50.71013	0.3
55.05462	0.4
56.04977	0.5
57.77987	0.3
65.03846	0.4
65.21722	0.3
65.82926	0.3
66.62611	0.3
67.05430	0.4
68.05011	0.3
69.03366	0.5
70.06519	6.3
72.08050	0.4
76.56842	0.3
79.07720	0.4
81.06983	0.7
83.04925	0.3
84.04417	2.8
84.08083	1.6
84.40662	0.3
85.02859	1.3
86.09641	0.7
91.05393	1.2
92.10316	0.5
95.04966	0.4
95.06030	0.8
97.02872	0.5
107.08569	0.3
109.06516	0.4
109.10105	0.4
110.07137	2.7
112.34757	0.3
119.04877	0.6
120.08118	1.4
122.06023	0.5
127.03881	0.4
129.10252	0.7
133.10182	0.3
135.05455	0.4
139.03468	0.4
147.04460	0.5
175.03899	0.6
177.00771	0.4
181.04997	0.6
181.09596	0.4
207.06509	0.5
317.08374	2.0
333.07941	1.8
335.09399	5.4
411.19919	3.1
453.90744	0.4
477.31265	0.4
543.24133	100.0
544.24719	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	544.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03852	0.4
55.01801	0.5
55.05438	0.5
55.58569	0.4
57.03349	1.7
61.02833	2.1
67.05404	0.7
69.03361	3.5
70.06480	2.9
75.79568	0.5
79.05375	2.5
80.90952	0.4
81.03305	2.2
81.06941	2.3
84.04418	0.8
84.08072	1.0
85.02827	11.0
91.05369	1.9
92.10220	1.6
93.06946	2.7
94.24081	0.5
95.04850	0.6
97.02818	4.5
103.05316	0.4
103.52666	0.5
105.06966	4.4
107.08518	0.8
109.02825	0.7
109.06440	0.5
117.06933	2.3
119.08526	1.9
120.08023	0.6
125.06056	0.5
127.03866	1.9
128.06166	2.4
129.06967	11.8
129.10181	0.6
131.04909	0.4
131.08530	7.4
133.06413	0.5
140.76930	0.5
141.06969	3.9
142.07735	2.1
143.04916	1.4
143.08531	19.3
145.04947	0.8
145.06487	1.8
145.10086	3.2
147.04320	0.7
147.07999	2.2
153.06934	1.0
155.08519	10.6
157.06474	11.3
157.10080	16.4
158.10410	0.5
159.07996	1.0
159.11638	2.3
161.05951	0.6
161.09572	2.7
162.10051	0.5
165.06870	0.6
166.07738	1.0
167.08516	8.4
168.09242	2.0
169.06398	2.6
169.10039	5.3
170.10909	0.6
171.08000	12.2
171.11617	9.7
173.05952	1.0
173.09558	8.0
175.07507	4.4
181.06427	2.0
181.10057	15.9
183.08022	5.7
183.11662	11.0
183.13188	0.5
185.05983	4.6
185.09622	6.4
185.13206	24.1
187.07526	3.6
189.09013	3.6
193.10048	1.0
195.07994	2.2
197.09583	2.4
197.13242	0.8
199.07487	26.1
199.11148	26.3
199.14809	7.4
200.11583	0.6
201.09065	24.0
201.12663	4.1
203.07042	0.5
203.10674	0.5
209.09561	9.2
209.13174	6.7
211.11107	5.1
211.14722	2.0
213.05475	0.5
213.08972	4.6
213.12672	2.5
217.08620	2.4
217.12187	9.5
227.10629	54.7
227.14134	21.9
228.10864	0.6
229.12209	15.3
237.12755	3.4
239.14317	0.9
245.11665	100.0
246.12048	2.8
247.13187	3.7
255.06471	2.5
255.10262	1.6
255.13724	25.7
256.14087	0.6
257.15320	1.7
265.12222	1.0
273.08554	1.5
273.11188	50.7
273.14786	78.4
274.11511	1.0
274.15070	2.8
275.16348	3.3
283.13113	4.5
291.12192	73.5
292.12509	3.1
301.14279	53.6
302.14737	1.8
309.13284	0.9
319.15332	34.4
320.15585	0.9
329.13721	3.4
347.14798	49.9
348.15091	0.8
365.15872	98.8
366.16348	3.3
544.11218	0.5
544.85663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74746	1.3
55.01807	6.9
55.05187	2.9
55.05450	86.2
57.03376	11.6
57.07003	11.5
67.05427	42.2
69.03342	7.3
69.06985	41.8
71.08537	2.7
79.05408	30.2
81.06970	41.1
83.04896	2.4
83.08534	53.0
85.95334	1.5
91.05396	7.4
92.10882	3.6
93.06983	15.8
93.34058	1.5
95.08546	21.9
97.10103	100.0
105.07008	2.0
107.08537	34.4
109.10104	12.2
111.07969	2.7
111.11685	2.0
117.06901	1.7
121.10085	7.6
125.09588	63.8
135.08022	6.8
135.11650	7.6
143.10681	1.9
153.09055	2.6
159.11647	2.1
171.10132	1.7
189.11165	36.4
189.12711	2.3
227.12740	83.8
228.13150	1.9
234.37355	1.6
245.13794	30.7
265.25214	1.7
321.00104	1.7
339.28879	29.6
509.38254	91.4
510.39038	2.8
545.39673	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03868	0.2
55.01813	0.3
57.03365	0.1
57.88841	0.1
61.02868	0.2
65.03859	0.2
67.05412	0.1
68.19170	0.1
68.99702	0.6
69.03340	0.8
70.06504	0.2
71.04910	0.2
72.08100	0.2
76.56744	0.2
81.03336	1.2
81.06973	0.2
84.04412	0.2
84.08044	0.3
85.02814	0.7
86.09624	0.3
87.00742	0.2
91.05406	1.9
95.08549	0.1
97.02831	1.5
99.04372	1.3
105.03395	0.1
107.08486	0.2
109.02258	0.1
109.02845	1.9
110.07150	0.1
119.04883	0.8
120.07988	0.1
121.02776	0.2
127.03878	5.1
128.06136	0.2
129.01740	0.2
129.06985	0.8
129.10143	0.1
131.08478	0.1
133.02831	0.7
133.10068	0.6
134.98260	0.1
135.07996	0.1
137.02316	6.7
143.08539	0.3
145.02838	1.6
145.04933	0.6
149.02348	0.3
152.06158	0.2
153.07014	1.4
157.06438	1.2
169.06383	0.1
171.08034	0.9
181.06448	2.6
184.05089	0.2
185.05988	0.3
197.05821	0.2
199.07506	12.2
200.07811	0.5
207.53218	0.1
208.94536	0.1
209.05826	0.2
211.07480	0.2
227.06982	5.4
227.10442	0.1
231.04974	0.6
237.05412	2.4
245.11722	0.2
255.06468	100.0
256.06815	4.5
271.05923	0.6
273.06079	0.2
283.16864	0.5
301.17896	0.9
302.18216	0.3
319.19070	0.4
320.19241	0.1
365.19537	0.7
366.19785	0.5
559.26404	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	545.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.2
55.01805	0.3
55.05442	0.2
56.96497	0.2
63.39937	0.1
65.03864	0.2
68.99673	0.1
69.03346	0.6
69.07016	0.2
70.06509	2.2
72.08063	0.6
73.36402	0.1
76.55567	0.1
78.59008	0.2
79.05398	0.3
81.03330	0.9
83.04901	0.2
84.04424	0.7
84.08081	1.1
85.02830	0.3
86.09644	1.0
91.05395	1.3
93.06960	0.2
95.08542	0.2
97.02812	0.2
100.11124	0.2
105.06955	0.2
107.04886	0.6
109.02805	0.3
109.10130	0.3
114.09102	0.6
116.07055	0.2
119.04871	0.9
119.08533	0.3
120.08026	0.7
121.02827	0.3
121.06189	0.1
127.03779	0.2
128.06166	0.3
128.07047	0.2
129.06984	0.6
129.10164	0.6
131.04912	0.2
131.08575	0.2
133.02802	0.3
133.10048	0.2
137.02315	6.3
137.09561	0.8
143.08514	0.6
145.02838	1.3
147.04442	0.2
147.08003	0.2
149.02306	0.7
153.06984	1.2
157.06482	1.2
161.09627	1.6
162.09990	0.2
165.07018	0.3
165.09079	0.6
171.07980	1.3
181.06454	2.3
185.05862	0.2
197.05925	0.2
199.07524	11.3
200.07864	0.3
207.10161	0.6
209.05853	0.2
210.06740	0.2
211.07509	0.2
225.11067	0.2
227.07001	5.8
237.05438	2.1
246.52649	0.2
255.06471	100.0
256.06784	3.4
271.06265	0.2
285.07428	0.3
545.12408	0.6
545.20129	0.2
545.33093	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	545.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01829	0.9
55.05449	2.7
56.04969	3.2
57.03366	1.1
60.04452	0.8
64.33231	0.8
67.05425	1.7
69.03353	10.5
69.06985	1.8
70.06512	8.2
71.04907	0.8
71.61342	0.7
72.08062	4.0
79.05405	4.1
79.52589	0.8
81.03338	4.1
81.06974	6.9
82.06531	0.8
83.04880	1.1
83.06017	1.1
83.08546	0.9
84.04435	10.2
84.08068	19.9
85.02831	10.0
85.98389	0.6
86.09628	4.3
89.42562	0.8
91.05424	5.2
93.06979	3.0
95.04900	1.0
95.08533	1.7
96.38186	0.8
97.02828	3.9
99.04355	1.3
102.05441	0.8
105.06995	7.4
107.04903	1.6
107.08544	18.1
109.02849	5.1
109.06470	4.5
109.10114	4.9
110.07128	4.4
115.03877	0.7
117.07006	1.0
119.04871	1.2
119.08545	3.6
120.04478	1.1
121.06482	1.4
121.10094	11.8
122.07234	4.1
127.03878	10.7
129.10248	7.6
131.08527	2.9
133.10101	100.0
134.10448	1.8
135.08015	8.9
136.07556	1.2
137.09598	52.3
138.09949	1.2
143.08562	0.8
145.04915	1.1
145.10080	1.4
147.11639	1.2
149.13232	11.1
153.20482	0.8
163.14778	1.0
171.57602	0.7
173.13179	5.2
184.07295	1.1
187.05972	1.2
191.14278	34.3
192.14665	1.0
209.15312	10.5
222.97754	0.8
255.06438	6.7
291.06973	0.9
297.07431	3.1
454.69363	0.8
545.32788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81557	0.7
64.33173	0.8
67.05424	0.8
69.72445	0.7
79.40044	0.8
81.06960	0.9
112.85402	0.7
245.64297	0.9
269.68085	0.9
409.99426	0.7
545.40131	100.0
546.40607	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	546.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81269	0.2
56.89185	0.2
58.75704	0.2
65.03867	2.5
67.05418	1.1
69.03358	1.9
69.06996	0.4
70.06505	0.5
70.39420	0.3
79.05405	0.6
81.03336	0.3
84.04426	0.6
84.08067	1.2
85.02837	2.1
86.09634	0.7
91.05408	0.7
92.04932	12.4
92.10994	0.4
93.06974	0.4
94.51678	0.3
95.04893	1.1
95.08519	0.6
97.02815	0.7
103.05296	0.3
105.06968	2.1
107.08534	0.6
109.02845	0.4
110.07082	0.3
117.06961	0.4
119.08532	1.9
120.04420	100.0
121.04769	1.1
121.06486	0.3
123.08018	2.0
131.08531	1.5
132.04411	0.4
133.06461	0.4
133.10115	1.7
134.05995	0.6
135.08038	1.3
135.42256	0.2
135.64551	0.2
141.06960	0.4
142.07777	0.4
143.08524	1.8
144.04431	0.3
145.10101	1.5
147.08022	0.4
155.08537	0.7
156.09311	2.1
157.10023	1.1
158.10788	0.3
159.08052	1.1
159.11589	0.4
161.09528	1.2
162.05455	1.2
168.09340	0.6
169.10123	0.7
171.07854	0.3
171.11650	1.9
173.09590	1.1
180.39104	0.3
181.06329	0.4
181.10170	0.4
183.11621	1.2
184.07320	0.3
185.13223	0.3
187.11134	0.4
189.12714	0.3
191.10664	0.3
193.10075	0.6
196.08751	0.5
198.05450	1.2
199.11145	6.5
201.12744	1.4
211.11171	3.5
212.07027	0.3
217.12144	1.9
229.12109	2.0
247.13203	8.1
304.68079	0.3
366.16974	1.3
384.17987	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	546.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	1.3
67.05428	9.2
69.03329	2.4
69.06983	3.6
70.06501	9.1
72.08059	2.3
79.05408	18.8
81.06975	19.1
84.04432	3.7
84.08058	7.6
85.02819	4.1
86.09657	6.2
91.05404	14.4
93.06960	30.1
95.04907	3.2
95.08530	28.4
105.06960	14.9
107.08530	30.3
109.06487	2.3
109.10079	13.8
111.08048	1.9
114.97028	1.9
115.35435	1.6
117.06930	2.6
119.04853	2.1
119.08566	14.7
120.08009	2.2
121.10091	13.6
123.24647	2.1
127.03838	2.2
129.06950	2.4
129.10222	2.4
131.08481	11.8
133.10083	11.1
135.08008	7.6
135.11636	26.1
137.09575	2.9
143.08516	7.4
145.10062	13.6
147.11679	9.4
149.02293	2.0
149.09608	7.5
151.07509	21.4
151.11221	3.0
153.01761	2.7
153.09084	2.5
155.08499	3.2
157.10103	8.2
159.07994	2.9
159.11693	7.4
161.09590	3.5
163.11201	2.1
165.09085	10.9
169.10117	7.7
171.11676	7.7
173.13239	6.2
175.46104	1.8
183.11696	7.8
184.88144	1.7
185.13219	3.0
187.11104	3.8
197.13225	8.3
199.14816	2.1
200.12778	6.8
201.12735	6.9
211.14781	3.9
215.14323	2.4
215.18103	1.9
219.13818	1.8
229.19473	2.5
239.17836	19.9
241.19411	3.7
243.06285	2.1
243.17274	1.9
249.16333	3.4
251.06244	1.7
255.17114	1.9
257.18912	50.9
267.17450	13.6
271.05951	53.0
275.19989	47.7
275.22726	2.7
285.18454	28.5
299.08963	7.5
301.18039	2.2
303.19464	32.5
313.17856	17.4
331.18964	75.0
332.19873	1.9
348.00476	1.6
349.20001	100.0
350.20270	2.9
367.21161	7.6
463.24121	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28954	3.5
54.20313	3.3
54.76323	3.1
55.01812	5.5
55.05455	74.2
55.76323	3.3
57.03367	16.5
57.07017	53.2
58.50410	3.3
65.19677	3.1
67.05426	32.9
69.03342	6.9
69.06982	8.2
70.42908	3.4
71.08539	36.2
79.05398	16.9
81.06969	32.3
83.08539	49.0
84.86954	3.8
85.10105	19.1
89.05952	5.1
91.05363	3.8
95.08517	23.0
97.10107	93.3
107.08527	25.7
109.10085	9.1
125.09589	82.1
143.10609	3.9
153.09059	4.8
189.11220	50.0
227.12758	100.0
245.13771	51.4
266.07492	4.6
285.54361	4.3
341.30505	53.0
426.32065	4.7
511.39804	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	547.1448
Annotation	Afrormosin 7-O-(6'-malonylglucoside)
Peak:m/z	Relative Intensity
51.27135	0.1
54.81589	0.1
55.17717	0.1
70.06486	0.3
84.04413	0.2
84.08046	0.2
85.02784	0.1
86.09604	0.1
88.33649	0.1
105.06977	0.2
109.96375	0.1
111.04385	0.1
118.13778	0.1
132.05656	0.7
133.06412	0.2
135.04349	0.2
137.05927	0.7
139.03880	0.1
151.03850	0.2
152.00990	0.2
154.09065	0.1
163.03798	0.2
167.03358	0.3
168.05588	0.3
169.01413	0.2
173.08693	0.1
176.04668	0.2
182.07198	0.7
183.08060	1.5
184.03639	3.3
185.05913	0.2
195.84798	0.1
196.05144	0.6
197.05956	0.6
200.08286	0.5
210.06699	0.9
211.07504	2.6
212.25899	0.1
213.05400	0.7
218.61269	0.1
224.04672	0.3
225.05373	0.3
227.07005	1.8
228.07719	1.4
239.06979	4.4
240.07620	0.3
241.04887	1.3
243.10112	6.2
244.10396	0.2
252.04230	0.3
253.05017	0.2
255.06497	0.9
256.07248	8.6
257.07538	0.3
267.06586	1.3
283.05927	2.3
284.06747	25.2
285.07047	0.9
299.09100	100.0
300.09460	4.7
448.03375	0.1
505.58817	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	547.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01811	3.1
57.03355	0.3
58.99507	2.0
61.01070	1.3
61.02850	0.4
69.03342	1.7
70.06505	2.1
72.04426	3.2
72.08079	0.3
73.02828	0.5
76.02142	2.4
76.85075	0.2
84.04424	12.1
84.08067	1.1
84.67754	0.3
85.02849	2.4
88.02139	100.0
90.05478	33.5
97.02802	0.5
100.03910	2.9
102.05478	14.4
116.01611	0.6
117.04740	0.3
117.49890	0.3
127.03909	1.9
128.04202	0.4
129.10211	0.3
129.73570	0.2
130.03186	0.3
130.06488	1.0
132.04407	0.4
133.04301	0.4
137.04555	0.3
142.03203	4.5
145.04236	2.9
147.04350	0.3
158.02684	2.9
158.05983	1.1
159.05830	1.1
161.02893	0.3
170.02625	0.5
175.08678	1.1
176.03656	0.4
187.05334	15.9
188.02052	0.6
188.03725	14.6
203.04022	0.4
205.06384	64.8
206.06709	0.3
221.09102	0.5
245.04945	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13981	0.7
53.00241	1.1
53.03878	4.6
55.01797	5.1
55.05444	5.5
56.04973	1.5
56.17445	0.8
57.03371	3.2
59.97389	0.9
61.02839	1.9
63.63784	0.8
65.03834	0.9
67.05427	8.2
68.99704	1.1
69.03346	29.2
69.06969	1.4
70.06510	16.9
71.04897	5.7
72.08060	4.1
73.02806	5.5
74.05979	1.3
76.02111	0.9
79.05399	4.4
81.03338	20.2
81.06960	4.2
83.04906	11.2
83.05993	1.0
84.04426	11.7
84.08064	10.2
85.02343	1.6
85.02828	39.7
85.06451	1.2
86.09624	14.2
87.00753	18.4
87.04346	1.2
88.03993	0.9
89.03829	1.5
91.03870	1.3
91.05411	10.2
93.03318	1.3
93.06980	12.0
95.04340	1.6
95.04890	21.5
95.08522	5.4
97.02820	28.2
97.06445	5.9
99.04385	10.3
105.01810	11.1
105.06982	17.4
107.08528	9.3
109.02827	23.4
109.06470	10.2
109.10099	4.3
110.07116	3.7
111.04390	11.4
111.08053	1.7
113.05946	5.3
115.03830	1.0
117.01814	2.2
117.03352	2.9
117.06942	5.1
119.04925	1.2
119.08536	21.5
120.08034	2.2
121.02782	1.7
121.06449	10.5
121.10077	5.3
123.04404	1.6
123.08017	17.4
125.06002	0.9
127.03870	35.4
128.06210	1.3
129.01776	3.8
129.06953	3.4
129.10193	4.5
130.07703	1.1
131.08528	17.1
133.06430	3.4
133.10071	8.6
135.08011	18.9
136.07532	1.3
137.09563	5.0
139.07503	1.9
141.06886	1.3
142.07727	1.4
143.08528	8.2
144.09337	1.5
145.02815	5.1
145.04939	6.5
145.06429	5.1
145.10107	12.5
147.02837	1.2
147.08020	10.9
147.11626	5.4
149.05930	4.3
149.09602	6.5
151.03885	1.5
151.07526	1.0
155.08488	3.8
156.09312	5.6
157.10124	9.0
158.07237	5.7
158.10976	1.5
159.02872	8.3
159.08017	11.5
159.11659	12.6
161.05876	1.3
161.09608	14.6
161.13135	0.9
163.07549	1.1
165.09061	13.3
167.08420	1.2
168.09268	3.8
171.07924	4.1
171.11635	7.1
172.08757	5.8
173.09602	9.2
173.13228	10.7
175.07497	15.4
175.11069	11.5
176.07936	1.0
177.05418	5.2
181.04892	5.2
181.06381	1.8
181.09978	1.1
183.11641	5.5
185.09502	1.8
186.10376	3.6
187.11101	13.9
189.09029	13.1
189.12769	3.5
193.08551	3.6
193.09987	2.5
196.08807	4.1
199.11122	26.7
201.12689	16.2
203.10614	12.9
205.12181	1.4
211.11188	8.6
213.03830	1.7
217.07889	1.1
217.12207	15.2
219.13733	3.6
229.12189	11.3
231.05003	7.5
235.13249	1.8
247.13228	74.3
248.13617	3.8
255.06526	5.2
265.14285	100.0
266.14594	5.1
330.16483	1.8
346.53876	1.0
477.17203	2.1
495.18820	8.3
545.39014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	5.2
54.81690	1.2
55.01809	1.3
55.05441	0.8
56.04968	0.9
57.03381	3.8
59.04940	1.0
59.85903	0.8
61.02858	4.0
67.05424	1.6
69.02997	1.4
69.03345	19.3
69.06958	0.8
70.06512	5.4
71.04901	5.4
71.08528	0.9
73.02833	3.7
79.05435	1.2
81.03339	16.9
81.06984	1.3
83.04897	1.7
84.04433	2.1
84.08070	5.1
85.02831	76.8
86.09620	4.1
87.00742	1.4
87.04404	1.2
88.28786	1.0
91.03864	1.0
91.05404	1.7
95.04913	1.7
95.08534	1.5
96.61353	1.1
97.02831	31.6
98.06012	1.0
99.03732	1.7
99.04389	55.2
103.03884	100.0
105.06973	1.5
107.04892	1.4
107.08519	1.1
109.02819	18.8
109.06493	1.5
109.10103	1.8
116.98611	1.0
119.08540	1.7
120.08054	4.7
121.06493	1.1
121.10049	1.2
123.08035	30.0
127.03882	97.7
129.10234	1.2
133.10101	1.3
135.08095	1.2
135.44070	0.9
137.09595	1.3
145.04944	31.6
145.10120	1.0
149.09601	4.7
151.11177	1.5
151.74307	0.8
161.09560	1.5
161.13326	1.0
162.05463	1.0
163.05997	29.6
165.09090	1.1
181.12231	1.1
187.05965	2.0
205.07048	1.5
207.10077	1.1
207.13759	3.5
225.14819	9.7
241.04817	1.2
243.05849	1.2
266.20084	1.0
269.04517	1.1
270.05148	2.3
271.05563	5.0
271.08142	3.8
285.04272	2.4
285.07520	15.3
286.04626	13.1
286.07855	21.2
289.09167	4.1
301.07001	23.0
307.10181	10.4
393.91315	1.1
474.38916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	5.3
55.01803	1.1
55.05455	0.7
57.03363	2.6
59.87681	0.4
61.02845	3.5
66.31474	0.4
66.84553	0.5
67.05427	0.7
69.03350	14.1
70.06494	0.9
71.04912	5.6
73.02814	2.8
79.05394	0.6
81.02916	1.0
81.03343	17.9
81.06967	0.7
83.04905	2.2
84.04399	0.6
84.08057	1.2
85.02827	72.7
86.09604	0.9
87.04393	1.1
92.10930	2.3
95.08530	0.8
97.02230	1.0
97.02824	28.3
99.04385	52.8
99.07998	0.6
100.11201	1.1
101.02292	0.7
103.03877	100.0
104.04162	0.6
105.06988	0.7
109.02831	18.4
109.06454	2.2
111.04356	1.0
115.03855	0.7
116.06020	0.5
121.04917	0.8
121.06504	0.6
121.10074	2.2
123.08018	23.9
127.03872	94.2
129.10152	0.5
133.10194	0.9
136.89583	0.5
145.04935	33.4
149.09583	5.0
151.11227	0.7
153.01779	1.1
156.52618	0.6
163.05978	31.1
163.11139	0.9
167.10750	0.6
169.04893	0.7
181.04884	2.8
181.12161	1.0
184.61488	0.6
187.05940	4.2
189.12782	2.2
205.07014	2.5
207.13753	6.0
225.14850	6.5
241.04893	0.7
253.06958	0.7
271.08102	5.2
286.04712	3.6
289.09152	5.1
301.07001	8.0
307.10138	14.4
387.14081	2.8
416.04575	0.6
495.22153	0.8
549.19330	6.7
577.34540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	0.3
55.05453	2.5
57.03366	0.4
61.02866	0.2
63.33580	0.1
65.03841	0.3
69.03350	4.1
71.04919	0.2
79.05396	1.2
81.03329	1.1
81.56633	0.2
83.04893	3.8
85.02833	2.5
86.09614	0.3
87.04359	0.3
91.05400	6.4
93.06954	0.3
95.04863	0.8
99.04387	0.4
103.05380	0.9
104.06198	0.4
105.06973	1.5
107.08531	4.2
107.71666	0.2
109.06413	0.2
111.04407	1.6
117.06994	2.1
119.08533	100.0
120.08869	2.8
123.08034	0.4
124.68010	0.2
129.05440	0.5
133.06456	10.3
133.07481	0.5
134.06804	0.2
135.08023	3.1
142.07750	0.2
145.10056	0.3
152.61836	0.2
156.09346	0.2
157.10188	0.4
193.06564	0.2
194.77219	0.2
210.90947	0.2
224.17941	0.2
243.10185	0.4
250.70012	0.2
261.11389	0.2
263.12741	3.1
268.09100	0.2
273.82532	0.2
274.76929	0.2
279.12140	0.3
286.24734	0.2
307.11658	0.3
373.18332	0.2
397.20123	1.3
411.18051	0.5
531.27399	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	548.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41652	1.3
51.17877	1.5
54.81539	1.9
55.05455	27.8
57.03365	9.1
57.06779	1.3
57.07018	18.5
61.01601	1.5
65.03861	2.5
67.05074	3.6
67.05426	88.4
68.91976	1.4
69.06987	31.5
71.08551	11.3
79.05404	26.5
81.06974	100.0
83.08537	20.7
85.02822	9.8
86.09621	7.7
89.05947	3.0
91.05402	21.0
92.10855	2.2
93.06973	29.9
95.01242	3.9
95.08536	76.0
97.06458	3.5
97.10102	12.7
99.08019	2.7
105.06989	14.6
107.08543	20.7
109.10110	33.9
111.11634	1.7
119.08555	12.8
121.10085	20.2
123.11664	20.8
124.99944	3.5
133.10094	16.1
134.60889	1.8
135.11667	9.2
137.13245	3.5
141.01808	4.2
145.10191	2.0
147.11681	7.5
149.13235	7.8
161.13257	8.9
163.14772	2.4
165.16331	4.1
169.61871	1.7
172.95114	2.0
174.98558	3.1
175.14847	7.8
184.07301	10.2
189.16322	3.0
213.00090	2.6
245.22655	26.9
263.23627	46.9
264.23859	1.9
337.27258	34.1
342.75311	1.9
438.37173	2.0
507.25467	2.0
513.30682	2.4
549.32806	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	548.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	0.8
53.03867	1.2
55.01801	0.8
55.05188	1.1
55.05450	22.3
55.37399	0.8
57.03380	6.9
57.07010	16.4
65.03838	1.3
67.05427	87.8
69.06986	28.7
69.71662	0.7
71.04916	1.0
71.08539	7.3
72.00057	0.7
73.02827	1.9
79.05409	24.2
81.06974	100.0
83.04890	1.2
83.08537	19.7
85.02826	9.0
85.06479	1.6
85.10109	4.1
86.09613	3.0
89.05951	4.2
91.05404	16.9
92.10243	0.9
93.06976	30.7
95.01248	11.9
95.04887	1.4
95.08530	82.1
97.06472	8.2
97.10098	12.0
99.08038	1.1
103.03893	1.0
105.06992	13.0
107.08540	20.7
109.06465	0.8
109.10104	41.2
111.08025	4.1
111.11684	1.5
113.02344	1.3
113.09612	1.1
119.08515	11.7
121.10093	22.7
123.08055	1.0
123.11659	15.9
124.99970	1.8
126.36721	1.0
127.99462	0.8
131.03409	1.4
133.10110	16.5
135.11670	9.9
137.13200	6.8
141.01816	10.8
141.12735	1.5
146.73518	0.9
147.11650	11.0
149.13260	9.5
151.14795	4.4
153.12726	1.0
155.14264	0.8
161.13188	12.3
163.14761	8.0
165.16367	4.1
172.95209	2.0
175.14838	8.2
177.16356	1.4
179.18005	1.9
184.07436	6.0
184.08839	0.9
189.16345	4.4
190.96312	1.3
194.06216	0.8
203.17947	1.1
237.27895	0.8
245.22604	43.6
246.23013	1.3
263.23642	57.1
281.24417	0.9
337.27304	26.7
337.30981	1.5
352.59470	0.9
355.28375	3.8
451.36047	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	548.371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	3.1
57.06983	2.0
58.06530	1.5
60.08096	25.9
60.40667	1.4
67.05428	7.3
69.06995	1.7
71.07275	10.4
76.02176	1.8
79.05403	2.7
81.06961	7.3
86.09623	78.2
92.10184	3.5
93.06955	1.6
95.08538	3.1
98.98378	5.4
101.47775	1.6
104.10674	100.0
121.10033	1.8
123.07979	1.8
124.99962	41.9
138.55492	1.4
164.12347	1.6
166.70059	1.6
184.07303	84.7
184.08936	3.4
489.23480	2.4
493.21558	1.8
530.35785	7.2
548.37231	30.4
549.36780	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	549.1237
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
54.82112	0.2
62.17830	0.2
65.58031	0.2
65.62976	0.2
66.44974	0.1
68.99720	0.3
69.03357	0.2
77.80003	0.2
81.03340	0.2
83.40612	0.2
85.02825	0.7
87.00739	0.2
89.03860	0.2
90.41843	0.2
92.10286	0.3
123.00744	0.8
124.01521	0.7
129.06956	0.3
134.03590	4.5
134.71333	0.2
136.28169	0.2
141.06990	0.2
147.04404	0.2
149.02338	1.3
151.03915	0.2
152.01041	0.3
153.01804	11.0
153.03056	0.4
157.06393	0.2
161.09627	0.2
166.40501	0.2
170.02055	1.0
175.03835	0.2
177.05336	0.3
185.05910	0.2
197.05879	0.2
199.03827	0.4
202.06242	0.8
212.04617	0.2
213.05461	3.7
229.04916	5.6
230.05688	3.7
241.04898	14.6
245.08008	1.5
255.06432	0.2
257.04443	0.3
258.05151	1.4
268.03558	0.2
269.04382	18.9
270.04724	0.4
273.07510	0.7
285.03854	1.8
286.04651	22.7
287.05054	0.7
301.07004	100.0
302.07343	2.7
463.12231	0.3
549.12512	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1239
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
53.03840	0.1
55.01776	0.1
55.05422	0.1
55.48194	0.1
56.04922	0.4
63.41790	0.1
63.99836	0.1
65.03820	0.1
67.05384	0.1
68.99671	0.1
69.03317	0.1
70.06511	3.4
70.06868	0.2
71.06798	0.1
72.08023	0.2
79.05364	0.1
81.03260	0.1
81.06934	0.1
83.04849	0.1
83.05966	0.1
84.04429	2.0
84.08003	0.4
85.02757	0.5
86.09601	0.2
88.03866	0.1
89.03809	0.1
90.14176	0.1
91.05369	0.2
93.03281	0.1
93.04418	0.1
93.06947	0.1
95.04850	0.1
97.02757	0.2
99.04348	0.1
102.05425	0.4
103.03829	0.1
105.03333	0.9
105.06934	0.1
107.04826	0.4
107.08520	0.1
109.10017	0.4
110.07104	1.0
111.04320	0.5
112.08602	0.2
113.07056	0.1
119.08476	0.1
120.07993	0.1
121.02736	0.1
121.06453	0.1
121.10079	0.1
123.04359	0.1
124.01463	0.1
127.03819	0.2
128.06099	0.1
129.06921	0.1
129.10152	0.2
131.08481	0.1
133.02751	0.1
133.10081	0.1
134.03563	0.7
135.04416	0.6
135.05206	0.1
137.02255	0.4
137.09514	0.5
139.03899	0.6
139.05310	0.5
145.02792	0.5
147.07976	0.1
149.02251	0.3
149.09557	0.2
151.03801	0.1
152.01038	0.8
153.01750	0.2
155.04842	0.1
157.06381	0.3
161.02316	2.8
161.08333	0.1
161.09560	0.7
163.03770	0.2
165.09023	0.4
167.03392	3.4
167.04813	0.6
168.05467	0.1
170.03592	0.1
171.04294	0.1
174.06659	0.3
177.01773	0.1
177.05388	0.4
181.04826	0.3
181.06349	0.1
184.05139	1.2
185.05933	1.0
187.07404	0.1
195.04359	1.3
197.05960	0.1
199.07497	0.7
201.05391	0.1
202.06198	0.6
203.06793	0.1
205.04698	0.1
207.10036	0.3
209.11707	0.3
212.04662	1.9
213.05473	1.7
214.06299	0.1
216.04056	0.1
217.08609	0.7
219.06430	0.1
223.03879	0.9
223.05902	0.1
225.11110	0.1
227.06963	1.3
229.04803	0.4
230.05702	2.0
231.06351	0.4
240.04123	1.8
241.04898	3.3
242.05595	0.4
243.06450	0.1
245.08035	5.4
247.13248	0.1
251.03339	0.1
255.06476	5.8
257.04385	0.1
258.05173	5.4
268.03589	1.6
269.04413	0.5
271.05905	0.1
273.07605	0.8
283.05914	1.7
284.06564	0.1
285.03729	0.1
286.04654	15.1
287.05084	0.3
299.05539	0.1
300.06030	0.2
301.07010	100.0
302.07336	2.4
504.04111	0.1
521.85199	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	549.1601
Annotation	Ambonin
Peak:m/z	Relative Intensity
54.81526	0.1
55.01807	0.1
64.59650	0.1
65.03854	0.1
69.03342	0.1
70.06498	0.1
84.04409	0.1
85.02790	0.1
87.04398	0.1
91.05402	1.1
95.08542	0.1
97.02837	0.1
105.03368	0.1
119.04882	0.6
121.02831	0.3
128.06157	0.3
129.06985	0.5
131.04861	0.1
131.08542	0.1
133.02818	0.6
134.03625	0.1
137.02315	6.2
141.06955	0.1
143.08521	0.4
145.02837	1.3
145.53366	0.1
147.04372	0.1
149.02306	0.4
152.06163	0.2
153.06963	1.2
157.06476	1.0
165.07054	0.1
169.06430	0.1
171.07968	0.9
177.05382	0.1
181.04936	0.2
181.06418	1.7
182.07111	0.1
184.05122	0.3
185.05931	0.4
187.07419	0.1
197.05962	0.1
199.07515	9.6
200.07869	0.4
209.05853	0.3
211.07515	0.2
213.05415	0.1
227.06989	4.5
228.07193	0.2
237.05428	1.6
241.04922	0.1
242.40433	0.1
255.06471	100.0
256.06799	4.0
286.04596	0.1
286.85110	0.1
301.06931	1.1
320.41135	0.1
417.11639	1.1
549.15692	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	549.16
Annotation	Ambonin
Peak:m/z	Relative Intensity
51.79443	0.1
55.01803	0.3
56.04959	0.1
65.03843	0.1
65.49970	0.1
67.05428	0.1
68.99702	0.2
69.03355	0.1
70.06507	0.8
71.03992	0.1
72.53716	0.1
73.02824	0.1
73.32533	0.1
81.03342	0.1
81.99580	0.1
83.04772	0.1
84.04411	0.4
84.08054	0.1
84.12153	0.1
85.02834	0.4
86.09636	0.2
91.05400	1.4
95.08531	0.4
97.02808	0.1
105.03334	0.1
105.06927	0.1
107.04877	0.1
109.02819	0.1
109.06506	0.1
109.10123	0.1
110.07110	0.2
116.98465	0.1
119.04872	0.7
119.08506	0.1
121.02829	0.4
121.10027	0.1
121.44000	0.1
127.03864	0.1
128.06178	0.3
129.06993	0.8
131.04874	0.1
131.08516	0.1
133.02818	0.6
133.10049	0.1
137.02313	6.4
138.02657	0.1
143.08513	0.3
145.02821	1.2
149.02306	0.6
152.06169	0.2
153.06943	1.4
155.03369	0.1
157.06473	1.1
161.09531	0.3
165.06938	0.1
165.09047	0.1
167.03406	0.1
169.06445	0.1
171.08023	1.0
181.06430	2.1
182.07176	0.1
184.05220	0.2
185.05898	0.3
193.05110	0.1
197.05974	0.1
199.07510	11.5
200.07851	0.3
205.20938	0.1
209.05891	0.3
210.06734	0.1
211.07471	0.2
213.05424	0.1
215.84308	0.1
226.06459	0.1
227.06985	4.9
228.07213	0.1
237.05383	2.0
241.15990	0.1
255.06465	100.0
256.06812	3.6
256.09009	0.1
287.16354	0.1
315.15756	0.1
417.11713	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11812	0.7
53.03882	1.5
55.01809	0.7
55.05446	1.5
56.04958	1.2
57.03373	1.3
69.03344	5.9
69.06985	1.6
70.06508	5.9
71.04908	2.0
73.02822	1.2
74.98254	0.8
79.93481	0.8
81.03338	7.3
81.06979	1.6
83.04915	1.2
84.04417	2.0
84.08077	7.4
85.02824	28.9
86.03163	1.5
86.09637	1.1
91.05423	1.5
93.07009	1.3
95.08558	0.9
97.02830	11.6
99.04388	21.4
103.03880	36.3
104.04225	1.9
105.06985	1.6
107.04931	1.2
109.02829	8.7
109.10108	1.1
110.07153	1.6
117.03372	1.0
119.08558	1.2
120.08060	1.0
123.08012	10.9
127.03874	34.6
127.04777	1.3
128.04236	4.0
129.10213	1.8
134.29541	0.8
134.99699	0.9
137.09622	1.4
138.43182	0.9
145.04935	11.5
146.05336	1.3
153.01793	7.0
161.09586	1.0
163.06006	10.9
164.06294	0.9
165.09128	1.0
173.09552	1.1
182.15393	1.0
185.04172	1.5
213.05368	1.4
225.14729	1.0
226.15738	0.9
229.04938	4.4
230.05746	1.3
241.04883	7.3
258.05170	7.2
269.04382	7.2
286.04648	33.1
287.05145	2.0
300.09402	2.0
301.06995	90.1
302.07428	4.8
307.10306	4.0
341.13486	5.5
369.12979	1.7
387.14047	46.8
514.96515	1.0
549.19354	100.0
550.20093	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	1.8
56.04987	1.5
57.07004	11.1
67.05433	2.2
69.06982	1.2
71.08530	7.1
81.06973	4.0
83.08540	1.5
84.04427	59.4
85.10123	1.5
86.09605	5.3
91.05399	15.7
93.20132	1.2
95.04881	5.8
95.08526	2.2
109.10107	2.2
114.07437	1.2
114.38522	1.1
119.04886	30.7
119.05733	1.5
123.04380	35.3
123.11596	1.2
124.99957	5.0
130.04964	50.1
136.07552	100.0
147.04390	18.3
165.05443	43.9
182.08067	22.7
184.07404	2.8
184.30034	1.2
200.07056	1.5
201.10100	1.7
202.06924	1.5
202.08580	44.5
247.10715	6.6
248.09132	14.2
293.11240	12.6
294.09695	1.8
299.02542	1.2
311.12360	12.7
368.27469	1.2
549.34784	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	549.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33131	1.2
57.07001	2.6
60.61611	1.0
62.38710	1.1
62.72364	1.0
66.82319	1.0
67.05406	1.3
77.64803	1.2
79.05408	1.6
81.06969	1.9
92.10904	1.5
95.08536	2.5
125.98883	1.1
192.14540	1.4
214.79114	1.2
274.20361	1.3
377.24640	2.1
378.25162	2.4
417.74319	1.4
549.37366	100.0
550.37592	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	550.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	4.9
55.01818	1.6
57.03373	1.8
57.07009	1.1
61.02851	3.2
67.05421	6.4
67.65890	0.7
69.03345	15.2
69.06985	0.9
70.06499	1.6
71.04908	8.3
73.02837	3.4
76.02132	1.8
79.05410	5.0
81.03336	17.5
81.06987	1.3
83.04896	3.1
84.04430	2.8
85.02825	77.4
85.06461	24.1
90.05451	2.3
91.05385	5.7
93.06940	5.7
95.04887	2.7
97.02817	25.7
97.06467	1.1
99.04387	52.8
99.08023	1.8
102.46933	0.7
103.03878	100.0
105.06975	5.9
107.04902	1.6
107.08528	8.1
109.02829	20.5
109.06473	3.0
109.32623	0.8
110.07079	0.8
111.04375	2.8
112.78553	0.7
117.06961	1.3
119.08532	5.3
121.06465	4.5
121.10092	6.6
125.05972	3.4
127.03876	97.1
128.04182	1.1
129.06982	1.5
130.04953	0.9
131.08525	19.8
133.10083	1.3
135.08025	0.9
135.11653	1.7
137.09583	1.8
145.04939	32.7
145.06189	1.2
145.10109	10.0
147.08026	1.6
149.05922	0.8
149.09592	19.4
153.05446	1.1
155.07123	1.1
158.02695	2.9
163.05984	27.9
163.07213	1.3
163.11128	6.6
165.09058	2.9
167.10629	8.7
173.09471	0.9
176.03790	0.9
187.06003	3.7
191.10645	16.9
193.06412	3.1
197.11812	0.8
205.07068	1.2
209.11691	22.4
211.13145	0.8
227.12750	48.7
228.13213	1.2
271.08185	1.0
289.09158	2.9
307.10086	12.9
322.10663	3.5
461.63144	0.8
497.12521	0.8
537.93561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43116	1.1
54.81470	1.1
55.05445	3.1
57.03383	1.6
57.07016	2.6
59.04930	7.6
59.73222	1.2
60.08097	23.4
67.05436	3.0
68.04876	1.2
68.33326	1.3
69.06980	1.9
71.07288	12.4
81.06980	3.1
84.64558	1.3
86.09628	73.5
88.70833	1.7
91.36609	1.2
95.08524	2.9
98.98418	6.7
104.10678	89.7
119.08522	2.3
124.99955	42.5
140.14162	1.7
177.53317	1.4
184.07310	100.0
201.77548	1.4
503.41922	1.7
532.37415	8.5
550.38568	33.0
550.46228	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	550.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55131	0.5
51.36329	0.7
55.05453	5.5
55.22820	0.6
56.04971	1.6
57.03352	0.8
57.07012	10.7
57.51049	0.6
62.05723	1.0
62.06018	21.2
64.30347	0.8
67.05428	9.5
69.06987	4.6
71.04924	0.8
72.08081	1.4
74.05991	8.1
79.05413	4.7
81.06971	13.8
82.06488	2.8
83.08545	6.2
85.10110	1.5
86.09612	0.9
89.47542	0.6
91.05392	3.8
93.06976	6.8
95.08528	6.1
97.02370	0.8
97.10084	1.3
100.07549	8.1
105.06973	6.5
107.08548	7.1
109.10100	18.8
114.09122	4.4
119.08552	5.3
121.10103	7.3
123.11660	2.7
127.11169	1.1
131.08559	2.8
133.10115	3.9
135.11693	1.6
145.10149	2.8
147.11650	3.0
149.13242	1.1
157.10155	0.7
159.11659	3.1
161.13239	4.5
172.95244	3.2
173.13242	1.4
175.14738	1.6
185.13303	1.0
187.14851	1.0
190.96323	3.4
213.94066	1.2
215.18040	0.9
215.95659	1.7
228.97830	1.2
255.21109	1.6
269.96570	0.7
271.98386	3.1
276.23276	2.8
302.24792	0.9
449.19458	1.1
462.45895	0.8
472.41376	15.9
473.41623	1.1
510.21432	0.8
532.43500	42.4
532.51483	1.6
533.43964	3.7
546.44122	0.8
550.44556	100.0
551.44904	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	551.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39391	2.3
53.03924	2.3
55.01805	2.4
55.05445	4.5
56.04969	4.3
57.03359	3.3
57.07019	4.1
57.70003	2.1
61.02861	4.6
67.05422	25.7
69.03346	12.5
69.06994	3.5
70.06512	56.2
71.04910	20.2
71.06847	2.9
72.08073	10.2
79.05411	28.1
81.03339	3.4
81.06986	5.4
83.04898	5.6
84.04429	35.6
84.08065	25.3
85.02818	35.3
85.06463	100.0
86.09660	9.3
87.04393	3.5
88.03918	2.8
91.05405	28.3
93.06976	28.3
95.04890	14.2
97.02822	11.0
97.06410	2.6
98.05978	3.2
102.05505	10.7
103.05417	14.5
105.06974	32.2
107.04894	14.8
107.08537	28.6
109.02811	2.7
109.06477	4.6
110.07107	15.4
111.04390	13.1
112.08649	2.6
117.06984	5.9
117.12995	2.4
119.04948	3.0
119.08551	29.2
121.06458	22.8
121.10109	29.4
122.50291	2.4
122.59975	2.8
125.05967	6.1
125.11364	2.5
127.03883	10.5
129.06975	5.0
129.10205	5.0
130.07707	2.4
131.04878	18.7
131.08530	97.0
133.10078	3.0
136.07529	2.9
137.09578	15.7
143.06953	2.9
145.04958	4.1
145.10127	37.5
147.04376	2.9
147.08015	5.7
149.09605	77.2
151.03915	9.3
163.07492	3.4
163.11143	29.1
165.09058	11.2
167.07011	4.7
167.10657	28.6
173.09587	10.1
175.03990	2.8
181.04913	10.8
191.10634	58.7
207.06529	2.9
209.11717	78.2
227.12733	94.4
241.07355	2.5
241.30942	2.6
427.12952	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01797	5.2
55.05442	18.5
57.03385	4.1
57.07023	4.1
64.32753	3.1
67.05422	37.0
67.54112	3.6
69.03329	4.7
69.06979	33.0
71.01263	19.7
73.02826	3.5
75.04394	3.5
79.05403	17.6
81.06980	68.4
81.20766	3.8
83.08529	8.4
85.02821	31.7
85.13924	3.4
86.09627	18.2
91.05405	16.1
93.06970	39.3
95.08534	100.0
97.02793	5.6
97.10101	8.1
101.02290	32.2
104.10674	8.9
105.06968	37.1
107.08529	49.2
109.10095	62.2
119.08525	53.4
121.10103	32.7
123.11678	30.7
124.99974	15.0
127.03885	14.0
127.32546	3.8
133.10089	32.6
135.11671	23.5
136.06131	7.8
137.13225	18.1
143.08510	4.3
145.04961	18.0
145.10136	15.9
147.11659	23.0
149.13226	26.7
159.11685	21.1
161.13219	20.5
163.14848	5.6
173.13222	5.3
175.14815	14.4
177.16331	6.7
184.07341	17.7
187.14824	7.7
189.16324	8.0
199.14813	6.1
201.16315	15.6
203.17987	31.5
205.19640	5.6
217.19476	9.2
225.99367	4.1
255.21115	6.2
269.22595	9.0
377.47122	3.7
407.24576	3.6
407.36517	71.6
440.53693	4.3
499.22501	4.1
516.91650	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	552.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74896	0.1
54.89249	0.1
55.01804	0.5
56.80534	0.1
57.03368	0.7
59.04899	0.1
59.85418	0.1
67.71535	0.1
69.03353	0.6
72.08042	0.1
73.02821	0.6
84.04422	0.5
85.02839	0.9
92.10892	0.3
95.83392	0.1
97.02825	0.2
98.90636	0.1
99.11794	0.1
100.02027	0.1
115.03902	0.5
119.03504	0.3
133.04918	0.3
133.48100	0.1
136.06161	100.0
137.04611	0.3
137.05598	0.1
137.06662	0.9
145.46022	0.1
153.04060	1.9
154.02443	0.2
175.48622	0.1
231.04323	0.3
268.10349	20.6
269.10504	0.5
306.05743	0.2
328.18173	0.1
334.05209	0.3
358.90051	0.1
520.30682	0.1
565.51324	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	552.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85358	0.3
53.23854	0.3
55.01797	0.4
55.05434	1.3
56.04959	0.8
60.04412	0.3
64.32684	0.3
67.05437	0.7
69.03338	1.7
70.06509	5.2
72.08056	1.6
73.02825	0.3
79.05417	0.6
81.03328	3.5
81.06964	1.8
83.04887	0.5
84.04416	2.5
84.08056	4.7
84.12678	0.4
85.02831	2.2
85.06481	0.5
86.05958	0.3
86.09635	1.7
90.05458	0.7
91.05417	5.7
93.06984	0.6
95.04871	0.3
95.08585	0.4
97.02821	0.5
99.04331	0.4
100.11144	0.7
101.60133	0.3
102.05485	0.7
105.06989	0.6
106.75337	0.3
107.08521	0.6
109.02829	1.7
109.10111	0.5
110.07102	2.4
119.04892	19.8
120.08035	0.8
121.06475	0.5
121.10091	0.4
127.03847	0.6
129.10205	1.8
131.08517	0.5
133.10165	0.4
137.05952	0.8
143.86131	0.3
145.10101	0.4
147.04390	100.0
148.04727	1.3
149.09579	0.3
165.05429	3.6
171.33923	0.3
184.07234	0.5
199.26154	0.3
207.05861	0.5
210.14819	0.5
212.45435	0.4
213.15253	0.3
225.77003	0.3
276.58325	0.3
291.08652	2.8
309.09595	6.6
372.11746	0.4
420.14297	1.4
468.64090	0.3
546.31207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84261	0.4
55.05443	0.5
56.96502	1.3
57.03329	0.5
57.07013	1.4
62.06004	3.5
67.05411	2.5
69.06979	0.5
74.06005	0.8
79.71201	0.5
81.06966	3.6
83.08546	0.7
85.10091	0.7
86.01418	0.5
86.09634	0.8
92.10867	0.7
93.06981	1.0
95.08543	1.4
100.07527	1.2
102.92538	2.7
105.06967	1.1
107.08543	1.0
108.08849	0.8
109.10093	3.9
114.09118	0.9
118.91978	0.7
119.08578	0.7
121.10046	0.6
131.51114	0.7
135.83183	0.6
136.93065	5.3
147.11647	0.6
148.12102	0.6
154.94136	18.5
161.13182	0.6
169.36058	0.7
172.95203	100.0
179.97330	1.0
184.07237	0.9
190.96255	97.0
192.95685	2.8
195.96817	3.8
197.98381	18.0
208.97296	2.7
210.96764	19.9
212.98355	2.4
213.94054	0.8
213.97861	3.5
215.71092	0.6
215.95779	1.0
215.99437	20.2
216.97781	1.0
228.97813	54.9
230.99384	3.2
234.00539	0.7
246.98877	9.2
251.99379	1.1
254.00920	0.9
313.20227	2.2
331.21722	5.6
375.15955	0.8
393.17157	7.0
411.18161	1.2
431.18680	3.9
449.19684	46.4
450.19806	1.0
467.20792	15.2
468.20718	0.8
473.41785	2.4
490.21976	3.2
491.20889	4.1
492.23892	42.2
493.24124	2.4
510.24908	4.9
533.26270	1.4
533.43695	5.3
534.44067	2.3
551.36414	0.8
551.44922	17.6
552.45209	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	552.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	1.4
53.03887	7.5
54.81755	1.3
55.01814	9.7
55.05444	7.9
57.03098	1.1
57.03375	21.6
57.06992	3.4
59.04933	4.3
60.04454	1.8
60.08094	1.3
61.02859	7.2
63.23873	0.9
67.05431	8.1
68.99714	4.1
69.03352	100.0
69.06991	11.8
70.06521	1.6
71.01275	1.2
71.04915	5.6
71.08569	0.8
72.90497	0.9
73.02824	9.2
75.04397	6.2
79.05390	6.6
81.03339	29.0
81.06980	31.7
83.01257	2.1
83.04906	13.5
83.08544	4.9
84.04441	1.2
84.08060	2.1
85.02829	97.1
86.09621	14.5
87.00751	35.3
87.04398	23.6
91.03855	2.3
91.05403	5.7
93.06970	13.8
95.04897	5.9
95.08538	20.3
97.02824	81.3
97.06459	1.1
98.17325	0.9
99.04380	16.8
101.02315	1.4
103.03857	1.7
104.10693	4.5
105.01811	26.1
105.06976	11.8
107.04880	2.1
107.08552	11.9
109.02831	24.5
109.06449	2.2
109.10110	5.6
111.04384	8.0
115.03883	25.6
117.01804	2.3
117.06956	3.7
119.08544	10.8
121.06438	1.9
121.10117	9.9
123.04387	2.1
123.08031	2.2
123.11663	9.6
124.99960	7.7
125.02318	1.7
125.05949	1.5
127.03878	42.1
129.01802	2.1
129.05434	3.5
129.06989	1.7
129.10213	1.1
131.08505	4.4
133.04938	15.8
133.10121	3.6
135.08032	1.2
135.11641	8.1
137.06020	1.5
137.13232	11.0
139.03897	1.6
142.07811	1.2
143.08525	1.9
145.04929	11.9
145.10097	4.4
147.02913	1.6
147.08022	1.6
147.11685	4.3
149.13219	3.6
150.07597	10.4
151.03883	1.3
155.08568	1.4
157.10036	1.5
159.02882	9.4
159.11690	2.2
161.13216	4.4
165.12691	1.8
171.02956	1.1
173.08083	6.2
173.13264	2.0
177.05473	1.8
177.12718	1.4
179.14296	1.0
184.07294	18.9
185.13182	1.5
189.03966	1.8
189.12672	1.1
203.14276	1.3
205.04967	1.3
213.03996	3.8
215.14334	1.7
221.15439	2.0
231.04976	9.7
233.15361	4.1
241.07028	4.8
245.15422	1.5
249.05969	1.9
251.16362	3.6
263.16324	4.2
269.17404	1.5
273.05908	1.0
287.18552	3.6
327.07028	5.1
345.08255	9.0
349.16159	1.6
363.09015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03644	0.7
53.03890	4.6
55.01817	1.2
55.05454	1.5
56.96508	1.1
57.03378	1.1
61.02859	1.5
67.05417	5.5
69.03349	12.4
69.06997	11.9
70.06509	3.9
71.04907	7.7
73.02840	1.6
79.05401	3.5
81.03337	17.7
81.06972	8.0
83.04900	1.9
84.04441	3.3
84.08052	3.3
85.02827	64.1
85.06479	3.6
91.05409	17.1
92.10221	1.2
93.06974	13.6
95.04894	5.7
95.08546	1.6
97.02831	20.0
98.97501	1.3
99.04387	50.5
103.03878	100.0
104.16208	0.9
105.06989	15.0
107.08521	6.7
109.02818	16.6
109.06459	13.7
109.10137	3.9
116.98512	1.5
119.04900	1.5
119.08567	4.2
121.10131	3.8
123.08030	1.4
123.11649	1.2
125.05947	1.6
127.03878	81.4
127.07487	1.5
131.08508	8.0
133.06461	1.0
133.10092	84.6
134.10442	1.9
137.02307	1.2
137.05933	6.1
141.05470	0.9
145.04941	28.8
147.11665	20.9
149.09621	1.8
151.07545	3.4
151.11157	67.5
152.11597	1.7
153.06880	1.0
155.07005	16.2
161.01216	1.2
163.05980	24.7
165.12726	1.9
175.03813	3.4
175.11139	14.5
176.14380	1.0
187.05997	1.9
193.12190	41.2
193.13913	1.8
205.07054	1.3
207.06525	1.6
211.13255	94.6
212.13683	3.5
229.14304	43.7
235.05972	1.0
243.87083	0.9
249.41428	0.8
255.06445	23.9
266.84888	1.0
271.08136	1.1
289.09091	1.2
307.10083	7.8
345.02582	1.1
360.25342	0.9
363.03818	3.4
431.86484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	2.4
56.04961	0.5
58.06512	1.0
60.08094	24.7
66.97534	0.5
67.05418	3.8
68.77229	0.5
69.06995	1.1
71.07287	9.8
72.08072	4.9
73.01054	2.8
76.51891	0.5
78.55311	0.5
79.05424	2.3
81.06963	4.6
86.09625	74.0
87.09955	0.7
91.05434	1.3
92.11031	0.5
93.06960	1.3
95.08555	2.9
98.98396	6.4
104.10677	93.8
105.06995	0.9
107.08557	0.7
109.10119	0.7
124.99958	46.4
143.01015	0.8
158.02769	0.9
184.07300	100.0
185.07567	0.9
193.06332	0.7
200.47200	0.6
258.10822	0.8
275.60016	0.5
534.30243	4.2
544.42566	0.9
552.31079	33.3
553.31598	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77050	0.4
51.35492	0.5
55.05444	2.3
56.04967	2.7
56.07011	0.5
58.06535	1.1
60.07784	0.9
60.08093	25.7
62.06009	1.2
67.05428	4.0
69.06993	3.0
70.06507	0.6
71.07288	11.6
72.08058	6.2
73.01064	2.5
74.05983	0.7
79.05405	1.1
80.23528	0.5
81.06957	4.3
83.08533	1.1
85.10104	0.8
86.09628	77.8
87.09969	0.9
91.05385	0.8
93.06969	3.5
95.04943	0.6
95.08543	2.9
98.98387	5.5
104.10678	97.6
105.07005	2.5
105.11034	1.1
107.08537	1.1
109.10098	1.2
119.08546	0.9
121.10115	0.7
124.99958	41.0
133.09999	0.7
158.02785	0.7
172.95216	3.6
184.07300	100.0
185.07726	1.2
190.96309	3.9
210.96866	0.6
228.97824	1.4
258.10883	0.7
258.70801	0.7
277.71329	0.6
305.41803	0.6
337.20584	2.3
473.19778	4.8
533.43726	2.7
534.30072	4.1
534.44250	2.3
539.15283	0.8
551.44879	6.2
552.31067	37.4
552.44092	5.3
553.31311	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	552.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81070	0.8
51.15104	0.7
57.08931	0.9
57.13816	0.9
60.08097	12.0
60.30416	0.8
64.33434	1.1
67.05411	1.2
69.06968	0.9
71.07301	7.2
81.06963	1.3
86.09624	55.8
92.10202	1.2
98.98378	5.5
104.10669	37.4
124.99952	34.9
163.11023	0.9
184.07297	100.0
217.89940	1.0
228.53008	1.0
329.69968	1.3
377.33093	1.3
412.21088	1.6
534.31787	5.5
552.32727	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	552.33
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78253	0.9
55.05456	1.9
60.08100	11.9
64.33710	0.9
67.05424	2.6
69.03355	1.6
69.06987	1.5
70.06488	1.1
71.07289	1.7
79.05402	1.2
81.03336	1.9
81.06985	4.5
83.04907	1.1
85.02837	5.0
86.09633	54.9
87.00790	1.4
90.05502	1.5
93.06973	3.9
95.08521	1.7
97.02867	1.9
98.98396	4.8
104.10679	22.6
109.02806	1.7
109.10130	1.7
121.10089	2.1
124.99977	38.9
127.03902	2.0
129.26752	1.0
184.07326	100.0
185.07654	1.0
241.21637	1.5
534.31946	4.2
552.32782	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	552.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64266	0.4
51.28459	0.4
56.04965	0.9
57.03361	0.7
57.07017	3.9
58.06515	1.8
60.08094	25.5
62.80458	0.5
64.40960	0.5
66.33595	0.5
71.07292	10.5
71.08544	3.3
74.09599	0.6
74.85960	0.5
77.16843	0.5
81.06975	0.8
85.10087	0.8
86.09627	72.4
92.10236	0.9
98.98394	5.3
104.10680	97.1
124.99962	44.8
135.47939	0.5
143.01016	0.6
184.07306	100.0
185.07741	0.7
258.11197	0.9
274.96973	0.6
292.75195	0.6
306.94650	0.8
315.77722	0.7
339.16849	0.6
369.33737	1.2
534.39441	6.7
551.45428	0.6
552.40112	35.3
553.40387	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	553.298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	0.4
53.03884	0.7
55.01795	0.7
55.05450	11.3
56.04970	0.8
57.03381	0.7
57.05754	0.9
59.09161	0.3
65.03872	2.3
67.05431	3.0
69.03355	1.7
69.06983	1.9
70.02870	11.5
70.06508	32.9
71.04913	0.9
72.08068	100.0
73.08406	0.6
73.50072	0.4
74.00555	0.4
76.56510	0.4
79.05405	0.6
81.03324	1.7
81.06983	3.5
82.04140	0.5
83.04934	0.4
84.04427	9.3
84.08062	0.8
85.02821	4.9
85.06473	0.5
86.09623	14.1
87.00749	0.7
87.05505	7.3
89.03845	2.0
91.05386	1.6
93.03338	0.5
93.04460	0.5
93.06991	2.7
95.04916	1.5
95.08523	0.9
97.02787	0.7
97.06448	1.0
98.05983	0.5
99.04406	0.7
99.08029	1.7
103.03900	0.8
105.03333	3.8
105.06988	0.8
108.02052	0.6
109.02832	0.7
109.06457	0.4
109.10146	0.7
110.02375	0.8
110.03587	1.4
110.07117	4.2
111.04423	0.7
113.07034	0.6
114.05474	0.5
116.07037	15.8
117.03329	5.1
119.08532	0.6
120.08063	0.7
121.10083	0.6
125.06122	0.6
125.07076	6.3
125.09592	0.8
127.03912	1.6
127.04951	1.0
127.08668	0.5
129.06520	0.9
131.08510	0.4
133.10112	1.7
135.11711	0.6
136.07547	0.5
137.05975	0.5
138.03085	0.7
141.06555	1.0
145.02827	13.0
147.11729	0.9
149.05994	2.0
150.05536	0.9
151.03891	2.6
153.05441	0.6
153.06531	1.4
168.06508	0.4
169.09700	3.4
171.06429	2.1
171.07664	6.7
177.05431	12.5
177.06870	0.5
181.04909	33.6
185.09221	0.8
191.04816	0.6
195.07611	6.9
196.06009	21.6
197.06389	0.7
197.09164	0.8
197.12790	7.2
208.63403	0.4
212.10359	2.6
213.08693	5.1
214.11826	9.7
215.10233	0.9
225.12294	0.7
230.11281	7.9
242.91205	0.4
255.06464	0.8
266.18076	0.4
269.21027	0.8
287.21970	0.9
296.19727	2.7
324.19107	9.5
329.18109	0.9
391.71072	0.5
393.21234	3.8
410.23972	2.0
411.22418	0.8
438.23535	5.0
439.21686	4.4
536.27167	1.0
553.67847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01824	0.3
55.05456	0.2
56.94568	0.2
63.02309	0.5
65.98719	0.2
67.05432	0.5
70.06510	3.3
78.04623	0.4
79.05415	0.2
84.04446	1.7
84.08073	1.4
85.02840	0.3
86.09618	0.5
89.03838	10.8
91.05407	1.3
92.10239	0.3
93.06966	0.2
95.04893	0.4
101.46422	0.2
102.05507	0.3
103.05412	0.5
106.04150	0.4
110.07119	1.1
114.36520	0.3
117.03333	40.4
118.03631	0.4
118.21471	0.2
119.04897	0.3
120.08065	0.4
124.05132	0.5
134.03586	3.6
135.04367	3.3
137.08783	0.2
141.05414	0.4
145.02832	92.5
146.03168	2.3
148.26410	0.3
149.05965	16.4
151.03905	8.9
151.05014	1.1
152.04224	1.1
163.03845	1.1
175.03795	0.4
177.05444	100.0
178.05804	1.8
181.04910	0.4
186.05501	1.1
207.06519	0.2
220.99188	0.2
246.14807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16323	0.2
53.03888	0.4
55.01809	0.4
55.05458	0.5
55.54677	0.2
56.04958	0.5
57.03358	0.3
57.45448	0.2
57.78845	0.3
63.02294	0.4
65.03870	3.2
67.05421	2.0
69.03354	1.3
69.06983	1.2
69.36189	0.2
70.06138	0.6
70.06512	13.9
71.04885	0.4
72.08075	0.6
73.02820	0.3
77.87165	0.3
78.04625	0.6
78.43365	0.3
79.05427	1.1
79.28006	0.2
81.03334	0.6
81.06977	1.1
82.04115	1.3
82.59447	0.3
83.04916	0.6
84.04434	5.3
84.08068	1.3
85.02831	5.3
86.09596	0.9
87.00766	0.3
87.04381	0.3
88.03922	0.4
89.03840	11.7
91.04871	0.4
91.05391	2.8
93.03336	0.5
93.06986	1.6
95.04895	2.1
95.08531	0.7
97.02849	1.2
97.06454	1.4
97.07555	0.3
99.04370	0.7
101.07090	0.4
102.05495	1.6
103.03895	1.2
103.05432	0.4
105.03331	5.7
105.06979	0.6
106.04116	1.2
107.08527	0.5
109.02848	0.5
109.06469	0.3
109.10132	0.4
110.03604	1.4
110.07115	1.4
111.04403	1.1
112.08641	1.1
113.07045	0.4
115.08640	0.4
117.03328	43.8
118.03704	1.0
119.04896	1.1
119.08552	0.5
120.08048	1.8
121.02821	0.4
121.06451	1.2
124.05164	1.3
125.05956	1.6
127.03865	1.6
129.10191	0.4
131.08569	0.3
133.10068	1.4
134.03601	3.4
135.04382	4.4
136.07585	0.4
137.06053	0.3
138.03093	1.2
141.05408	1.1
142.02553	0.3
145.02827	96.4
146.02129	0.4
146.03139	2.8
147.04369	0.4
147.11757	0.4
149.05959	17.7
149.71761	0.3
151.03894	16.6
151.04990	1.5
152.04239	0.4
162.03073	0.3
163.03893	0.6
171.06480	4.1
175.03841	0.3
177.05437	100.0
178.05792	3.4
181.04916	36.0
182.05251	1.2
186.05487	1.6
195.11176	0.4
209.07909	0.3
212.13672	0.3
237.13576	0.3
271.05948	1.6
307.05670	1.7
411.15964	0.5
493.20105	2.8
495.17892	0.5
553.22046	1.5
553.30267	0.3
554.22327	0.5
555.10822	1.5
555.20294	13.0
572.31909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	2.7
55.18022	1.2
57.07018	56.2
69.06989	7.6
69.35503	1.4
71.08553	45.4
72.01261	1.2
73.06460	7.0
83.08543	5.9
85.10115	22.5
87.04393	2.4
89.05960	100.0
91.05733	8.2
97.10123	3.4
105.77558	1.6
107.07008	6.7
111.11697	1.7
117.09133	2.1
120.41104	1.4
126.54764	1.6
126.95736	1.4
127.03845	1.3
133.08580	37.3
177.11166	10.5
182.38823	1.5
221.13799	1.8
223.06358	2.1
225.04312	8.3
283.17432	2.6
285.00879	1.5
299.06296	1.8
299.29489	2.7
327.20001	12.3
343.31970	5.6
355.06738	1.5
537.43384	21.8
554.46375	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	555.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57668	0.7
54.23614	0.9
58.15670	0.7
92.10201	3.2
114.94347	1.0
132.53256	1.0
150.02875	0.9
155.26921	0.9
195.06516	4.5
196.04803	21.5
213.07483	100.0
252.56581	1.1
381.07837	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	555.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	0.6
54.21256	0.5
55.05449	2.6
56.04972	1.3
56.92605	0.4
57.03377	0.8
59.35553	0.5
65.03848	0.8
67.05427	8.9
69.03349	3.4
69.06985	2.6
70.06511	37.3
70.06898	1.3
70.38300	0.6
71.04893	2.8
72.08096	1.7
74.05968	0.6
79.05413	6.0
81.03333	2.5
81.06984	11.8
83.05993	0.8
83.08544	1.4
84.04428	16.9
84.08071	3.8
85.02815	7.5
85.06482	4.6
86.09626	2.2
86.34868	0.5
87.00755	2.4
87.04372	0.6
88.03933	0.7
89.03824	4.1
91.05397	3.9
93.06969	5.9
95.04904	0.8
95.08533	10.8
97.02833	1.1
97.06447	1.2
97.10056	0.8
99.04408	1.1
99.08029	1.4
101.07107	0.7
102.05477	3.8
105.01805	0.9
105.03333	2.4
105.06969	2.5
106.90131	0.6
107.08534	3.9
108.01998	0.6
109.02819	1.1
109.10095	4.7
110.07116	2.2
111.08048	0.7
112.08692	3.5
113.07063	0.8
115.08634	1.5
116.07018	0.7
117.03335	15.3
117.04156	0.6
118.03645	5.0
119.04887	0.7
119.08518	3.8
120.08088	4.3
121.02844	0.7
121.10098	5.4
123.11644	0.9
125.05880	0.8
127.03909	4.0
127.51390	0.5
129.06726	0.9
129.10178	0.8
133.10115	2.2
134.03601	0.9
135.04384	0.9
135.11667	5.6
136.07585	0.8
137.09604	0.8
139.04991	0.6
140.08191	0.6
142.27518	0.6
145.02826	35.6
146.03163	13.1
147.11678	2.7
149.05957	7.1
149.13220	1.0
150.06313	3.3
151.03871	7.5
152.04179	0.9
152.06984	0.6
161.13190	1.1
163.03923	0.8
171.06512	1.1
177.05434	32.5
178.05775	15.5
181.04874	14.8
181.13402	1.0
182.05208	4.9
183.14862	0.8
217.13420	0.7
217.19420	1.2
235.20561	0.8
237.13538	0.8
249.10979	1.2
253.21480	2.0
254.15974	1.0
267.10532	0.8
271.22650	8.3
289.23587	4.2
307.05756	5.7
329.08398	0.8
347.09555	0.8
393.14795	0.6
411.16110	6.2
453.16397	1.0
493.20331	24.6
494.20715	0.8
495.18253	7.2
537.19519	0.9
555.20282	100.0
556.20795	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	555.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.5
54.12658	1.0
54.81733	1.2
55.01815	15.3
55.05451	16.6
57.03376	32.2
57.06988	1.5
59.04926	1.4
61.02855	15.6
61.18769	1.0
67.05423	6.9
67.08045	1.2
67.45322	1.3
69.03350	60.4
69.06989	39.9
70.06514	12.2
71.01266	7.1
71.04904	2.8
73.02831	79.5
74.02376	3.9
79.05399	5.7
79.13147	1.1
81.03334	11.9
81.06966	7.5
83.04900	2.1
84.04430	6.3
84.08067	5.7
85.02829	100.0
86.09630	75.3
87.04398	6.8
87.05520	4.4
87.09966	6.3
88.03900	2.3
91.03868	1.7
91.05413	2.7
93.06979	5.4
95.04875	1.3
95.08526	4.7
97.02824	86.5
97.03458	2.8
97.06466	1.4
99.04382	4.8
100.11163	1.7
102.05465	1.7
103.03876	5.6
107.08526	1.9
108.12442	1.2
109.02828	8.0
109.10095	2.6
110.07092	5.8
111.04384	1.9
111.11661	6.6
115.03881	36.2
121.10113	4.7
123.11690	2.8
127.03872	28.9
129.10149	1.4
132.06520	1.3
132.10165	23.8
133.04956	36.7
133.06035	5.3
133.10518	1.4
139.03923	3.0
145.04942	23.0
151.03796	1.4
157.04929	6.8
163.05989	8.2
166.71329	1.2
169.04909	2.1
175.06091	1.9
175.35939	1.4
199.05928	1.6
211.06017	8.7
223.06053	2.5
229.07018	7.6
241.07033	6.6
247.08157	6.7
259.08078	12.8
265.09067	7.5
295.10220	2.8
555.27399	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	4.7
57.03368	8.4
57.07013	35.5
62.15017	0.6
64.33456	0.6
66.72347	0.6
67.05429	12.9
69.03326	0.7
69.06982	6.3
71.08548	25.6
73.98462	0.7
81.03332	9.7
81.06971	14.6
83.08534	7.6
85.02798	0.8
85.10110	12.1
95.08530	21.5
95.54456	0.6
97.10107	2.6
98.98397	100.0
109.02805	4.6
109.10097	7.5
114.02085	0.8
116.99451	6.3
120.46346	0.6
123.11662	1.2
137.13181	0.6
155.01012	79.4
173.02054	0.8
184.07262	1.1
198.40846	0.7
206.48004	0.8
221.59528	0.8
239.23598	4.7
243.02501	0.9
313.27301	39.5
317.06229	4.5
393.23996	5.8
401.28720	3.7
537.28162	1.5
539.43591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81490	1.2
55.05441	4.8
56.04973	1.9
57.06998	1.4
60.08096	1.2
67.05436	9.1
67.05739	1.0
69.06970	1.2
71.04895	2.2
71.07288	1.1
79.05404	6.7
80.14702	1.2
81.06975	7.2
83.04928	1.3
84.03946	2.3
84.04430	43.1
85.02827	2.5
86.09629	6.5
91.05408	5.9
92.10850	1.7
93.06966	7.8
95.08490	3.9
98.98388	1.6
102.05428	1.2
103.05424	9.7
104.10701	1.7
105.06976	5.5
107.04906	1.9
107.08522	2.8
109.10099	1.5
116.64678	1.0
117.06963	1.1
119.08554	1.5
120.08066	100.0
121.10056	2.6
124.12981	1.3
124.99940	5.8
130.04984	28.6
131.04906	2.7
133.10062	1.1
135.11658	1.3
135.51976	1.1
149.05995	2.0
149.13321	1.3
158.02779	1.6
166.08606	18.5
166.13303	1.2
168.08012	1.3
172.95193	4.4
184.07353	14.9
185.10789	1.5
186.07492	1.7
186.09117	30.2
190.96272	1.4
193.06384	1.5
204.10182	1.6
228.97673	1.7
231.11237	5.8
232.09679	9.7
261.22064	1.5
277.11798	8.1
278.10110	1.9
295.12897	7.9
332.06223	1.2
442.30396	1.3
546.10236	1.3
564.87762	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81716	3.1
58.99831	2.4
60.23492	2.1
69.03339	4.1
85.02842	9.4
87.49526	2.5
90.03659	2.3
97.02804	5.7
101.00822	6.5
108.93423	2.7
119.01876	72.3
119.54258	3.0
126.39028	2.7
127.03795	3.6
131.01814	24.4
133.78012	2.7
137.02881	20.8
143.01843	23.0
145.03438	54.5
148.01337	3.3
149.02950	11.3
155.01857	18.1
157.03416	12.7
159.05029	23.2
161.02931	58.7
163.04488	31.2
169.03481	26.6
171.04953	12.2
173.02914	52.8
175.04518	4.7
177.06104	3.1
181.03534	3.1
185.02917	50.0
187.04498	100.0
189.02361	14.5
197.02965	21.9
199.04491	17.5
203.04034	26.1
207.03410	5.4
211.04465	12.3
213.02609	4.1
215.03972	6.7
221.05043	4.8
223.04488	4.2
225.01936	2.8
227.03918	4.5
229.05548	4.6
231.03439	28.7
245.05028	47.0
263.06064	11.3
271.06476	4.5
275.02411	34.3
275.05347	3.9
287.02441	12.0
293.03421	16.8
305.03415	5.7
335.04526	4.4
377.05573	22.1
395.06750	34.5
440.49466	3.3
466.61685	2.7
557.13452	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08623	1.0
55.05441	1.8
55.66708	0.9
56.38697	1.0
59.42218	1.1
63.73695	1.1
67.05441	9.3
67.22272	1.3
76.55695	1.2
79.05395	2.2
81.06966	10.5
81.87386	1.1
84.04421	33.8
86.09624	4.8
88.24923	1.1
89.05902	1.3
91.05391	2.6
92.10261	3.1
92.38345	1.2
93.06956	2.8
95.08531	6.8
102.05473	1.4
103.05370	10.0
105.25050	1.2
107.04883	1.8
120.08053	100.0
120.08926	3.2
124.99963	2.0
130.04953	25.1
131.04900	1.8
136.37070	1.3
166.08574	18.4
184.07286	11.1
186.09088	33.9
231.11183	3.0
232.09669	7.8
263.23541	1.9
277.11768	9.8
278.10159	1.9
295.12823	7.4
392.27206	1.4
548.54132	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40356	1.6
64.33237	2.4
92.10319	3.6
95.81277	1.9
114.58133	1.9
118.71845	1.9
125.08125	2.1
141.68658	1.9
192.93581	2.0
370.26755	2.1
494.51663	2.2
559.51569	100.0
560.52258	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	560.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15839	0.9
53.03874	1.6
55.01802	1.3
56.04963	1.7
56.96476	1.4
57.03364	2.7
58.37383	0.9
61.02840	1.8
67.05418	7.2
69.03345	9.5
69.06977	1.0
70.06506	22.5
71.04908	1.5
71.06810	1.2
71.33370	0.9
72.08069	1.8
72.59349	0.9
74.05971	1.2
79.05399	7.7
81.03317	5.1
81.06969	13.2
83.21941	1.3
84.04414	10.4
84.08076	7.7
85.02822	39.9
86.05972	1.6
86.09623	5.1
91.05390	8.2
93.06962	12.4
95.04871	2.3
95.08526	11.7
97.02803	7.9
97.06425	1.6
99.04393	1.8
102.05471	4.0
105.06975	12.4
107.08530	5.3
109.02807	2.6
109.06429	1.5
109.10091	5.6
110.07159	7.4
112.08694	1.4
115.08625	1.6
117.06950	2.3
119.04848	2.0
119.08523	6.5
120.08030	1.4
121.06441	29.8
121.10089	2.4
121.85365	1.0
127.03883	7.5
128.06148	1.4
129.06888	5.3
129.10184	4.1
131.08513	14.3
133.10081	9.2
135.08022	1.9
137.09560	1.7
141.06868	1.8
142.32703	1.1
143.08522	20.5
145.02832	4.6
145.06427	1.7
145.10088	10.7
147.07971	7.9
147.11659	2.0
149.09550	2.4
151.03885	4.2
152.04128	1.4
155.08525	34.9
156.09152	1.4
156.98242	1.1
157.10089	9.6
159.08009	20.7
159.11633	1.5
161.09576	6.0
167.08498	1.6
169.10078	16.9
171.08006	5.9
171.11650	5.5
173.09576	7.6
175.03807	1.2
177.05414	4.4
180.09137	1.1
181.04849	2.4
181.10048	18.0
183.11626	17.2
185.09550	1.2
185.13174	2.1
187.07480	1.1
193.10083	6.4
194.10960	1.3
195.11604	19.9
197.09555	4.7
197.13190	9.6
199.07559	1.3
199.11143	7.1
199.14827	1.4
201.08952	1.4
201.12682	2.4
207.11674	5.8
209.09627	1.1
209.13191	7.0
211.11090	4.6
211.14767	1.9
213.12743	1.9
213.16472	4.2
215.14433	1.6
223.14748	34.4
225.12769	3.6
225.16350	23.4
227.10663	1.7
227.14226	2.2
227.17883	2.1
235.14735	6.8
237.02640	1.2
237.16235	10.3
239.14217	1.7
241.07362	1.4
241.12195	1.8
241.15833	20.8
242.16104	1.0
243.10077	2.4
243.13736	1.7
243.17410	20.3
245.49023	1.1
253.15805	32.5
254.16211	1.9
255.17342	21.8
257.15347	2.2
263.14267	1.2
269.15262	19.7
270.15799	1.4
271.16867	48.4
272.17209	1.7
273.18420	20.6
281.15350	9.5
285.07358	4.2
287.16306	4.0
289.17963	4.1
299.16336	34.9
317.17432	39.5
318.17502	1.4
327.15802	7.7
335.18369	16.1
345.16995	8.2
363.17905	72.7
364.18088	2.3
367.10492	2.1
381.19000	100.0
382.19281	5.1
427.12668	1.6
560.10413	1.6
561.19318	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46404	0.8
53.03889	1.4
55.01809	1.7
55.08511	0.6
56.04975	1.3
58.94278	0.8
59.06046	1.2
65.03864	1.8
67.05425	5.1
68.17973	0.9
70.06509	15.4
72.08086	1.6
76.02150	0.9
84.04445	4.2
84.08074	10.3
85.02830	1.2
86.09626	3.7
89.03846	16.3
89.12090	0.9
91.05398	1.3
94.17423	0.7
95.04891	4.1
96.03370	0.7
97.02837	0.9
98.97535	1.5
102.05498	1.5
108.02015	4.3
109.02827	1.2
110.07110	3.4
116.07068	0.9
116.98553	1.0
117.03328	36.6
118.03599	0.8
120.07927	0.9
127.03813	1.1
129.10141	1.0
134.03600	3.7
135.04382	4.4
137.02402	0.9
141.05437	8.9
145.01869	0.9
145.02818	64.2
149.05960	14.0
151.03889	100.0
151.05003	12.3
152.04208	1.2
163.03874	0.9
177.05438	57.0
178.05800	1.5
180.51996	0.9
187.83842	0.8
199.07559	1.1
237.02730	1.0
255.06471	27.4
329.94327	0.9
332.11179	4.1
537.46796	0.9
560.37305	4.1
561.19232	1.0
561.37830	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23705	0.2
52.83881	0.2
53.03887	0.4
53.10828	0.2
65.03928	0.2
67.01801	0.2
67.05418	0.4
67.60695	0.2
68.99694	0.5
69.03343	0.3
69.06980	0.3
70.06495	1.2
71.11348	0.2
81.03339	0.5
81.06966	0.4
84.04406	0.5
84.08066	1.1
85.02840	0.4
86.09611	0.3
87.00731	0.3
91.01734	0.2
91.05423	2.2
95.08546	0.4
97.02810	1.4
107.04824	0.3
109.02809	1.6
110.07079	0.8
118.73796	0.2
119.04878	0.9
121.02831	0.4
121.10098	0.2
127.03872	1.3
129.10199	0.3
131.08482	0.2
137.02243	0.2
141.06998	0.3
145.02797	2.0
145.06493	0.3
147.08005	0.4
149.02313	4.8
151.03886	0.4
153.01807	8.2
159.04352	1.3
165.01790	0.9
169.06415	1.2
184.07181	0.3
187.07492	1.0
197.05907	2.2
201.05476	0.3
209.75267	0.2
215.06996	8.1
215.08961	0.5
219.79604	0.3
225.05396	0.4
243.06465	4.7
253.04886	2.3
271.05951	100.0
272.06299	3.3
531.72412	0.3
561.12036	0.4
561.27924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	0.6
55.01797	0.2
57.03360	0.2
59.16676	0.2
61.02842	0.2
67.05418	0.2
68.99732	1.1
69.03366	1.4
70.06507	0.8
71.04908	0.7
79.05386	0.2
81.03341	2.8
81.06971	0.3
84.04436	0.4
84.08074	0.6
85.02823	1.6
85.67786	0.1
86.09641	0.3
87.00749	0.7
87.86462	0.1
91.05407	2.4
91.57679	0.1
93.06968	0.4
97.02825	2.5
97.06470	0.2
99.04382	2.4
105.06979	0.3
107.08549	0.2
109.02837	4.8
110.07104	0.2
111.00771	0.1
119.04889	1.2
119.08529	0.2
120.08075	1.0
121.02820	0.3
121.10114	0.2
127.03881	10.3
128.04086	0.2
129.01797	0.3
129.06801	0.1
129.10239	0.2
130.79013	0.1
131.04877	0.3
135.04376	0.1
141.06960	0.6
145.02817	2.1
145.04964	1.2
145.10083	0.2
149.02312	3.1
153.01807	9.4
159.03244	0.2
159.04375	1.6
160.01598	0.2
165.01819	0.9
169.05035	0.3
169.06487	1.5
173.05939	0.6
175.07555	0.2
187.03796	0.2
187.05988	0.3
187.07515	0.8
197.06007	2.2
200.04546	0.2
201.05492	0.2
213.03864	0.6
215.04916	0.3
215.06996	8.1
216.07324	0.2
225.05455	0.9
227.06738	0.2
231.04956	1.4
243.06483	4.6
243.10321	0.2
253.04892	2.8
271.05966	100.0
272.06290	2.7
273.06079	1.1
277.10684	0.2
492.95349	0.2
496.13135	0.2
561.28558	0.2
573.93427	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	561.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31886	0.1
53.03883	0.1
55.01807	0.3
55.05448	0.2
56.56874	0.1
56.96490	0.1
57.03362	0.1
61.02847	0.1
65.03874	0.1
67.05413	0.3
68.36102	0.1
68.99709	0.1
69.03350	0.5
70.06503	0.8
72.08070	0.8
81.03319	0.4
84.04423	0.1
84.08060	0.8
85.02832	0.9
85.06473	0.1
86.09618	0.5
87.04391	0.1
89.03830	0.4
91.05387	1.0
93.06966	0.1
95.04890	0.2
95.08529	1.9
97.02809	0.6
99.04408	0.1
103.03901	0.1
105.03316	0.1
105.06971	0.3
107.08513	0.3
109.02833	0.4
110.07119	0.2
113.05930	0.1
117.03321	1.2
119.04908	0.5
119.08533	0.3
121.02815	0.2
121.10075	0.1
123.08023	0.7
127.03864	0.7
128.06190	0.3
129.06949	0.5
129.10181	0.5
130.06430	0.1
131.04860	0.2
131.08507	0.1
133.02812	0.5
134.03552	0.1
135.11650	0.1
137.02310	6.0
137.09621	0.1
138.02643	0.1
141.06920	0.1
143.08537	0.3
145.02829	3.1
145.04758	0.2
149.02324	0.5
149.05963	0.3
149.09622	0.8
149.37938	0.1
151.03909	1.2
151.05022	0.2
152.04272	0.1
152.06154	0.1
153.06973	0.8
157.06473	1.0
161.13226	0.1
165.06981	0.1
171.08025	0.9
177.05414	1.8
178.05830	0.1
181.04970	0.2
181.06433	1.6
182.07047	0.1
185.05867	0.3
187.05952	0.1
189.12735	0.4
197.05971	0.1
199.07509	9.7
200.07860	0.5
205.07082	0.3
207.13753	1.2
209.05962	0.4
210.06807	0.1
211.07474	0.1
227.06987	4.6
228.07352	0.1
237.05380	1.9
238.05667	0.1
247.47058	0.1
255.06461	100.0
256.06787	4.7
271.05942	0.4
272.06274	0.1
332.88828	0.1
378.02362	0.1
393.04706	0.1
543.14374	0.1
561.15723	1.5
562.15765	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	561.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11189	0.2
74.02351	0.7
76.62663	0.3
91.05406	1.1
93.02159	0.3
94.64500	0.3
115.05423	1.6
117.05672	0.5
117.06974	2.0
118.06494	27.1
119.06819	0.5
130.06502	2.9
131.06891	0.3
132.08075	8.4
142.06471	2.5
143.07283	3.3
144.04413	0.7
144.08064	18.8
146.05988	92.2
147.06346	2.3
155.62648	0.3
159.09142	10.4
160.07536	1.5
170.05992	7.1
188.07028	100.0
189.07399	3.0
205.09694	24.1
206.10005	0.5
247.79581	0.4
255.04831	0.3
296.42810	0.3
431.15802	0.3
436.85999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.9
55.05458	7.3
57.03354	1.1
65.03861	1.2
65.19020	0.7
67.05425	100.0
69.06992	7.8
71.04892	1.6
71.08514	0.9
78.27923	0.9
79.05402	13.4
81.06973	91.8
82.07304	0.9
82.67436	0.8
83.04890	1.7
83.08512	5.0
85.02809	1.6
85.06450	1.2
91.05394	3.8
93.06976	12.7
95.04863	1.2
95.08530	69.0
97.06448	1.8
97.10080	1.0
98.24859	1.1
105.06933	1.3
107.08539	8.2
109.06393	1.2
109.10095	20.0
119.08556	2.0
121.10101	4.2
123.08045	1.4
123.11662	9.5
127.41812	0.9
131.08514	7.2
133.10136	2.1
135.11612	3.6
137.13217	8.3
145.10051	3.7
147.11668	1.9
149.09583	1.1
149.13173	4.1
151.14774	1.0
159.11597	1.9
163.14839	1.2
173.13266	4.2
177.12848	1.1
184.07352	1.0
187.14799	1.4
195.13728	1.3
209.15263	1.2
236.33331	1.0
238.68500	0.9
248.55428	1.0
261.21985	1.2
279.23123	32.1
580.44421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.1
55.05424	0.1
56.04940	0.1
67.05387	0.2
68.99691	0.3
69.03326	0.1
70.06510	1.4
81.06976	0.1
84.04394	0.2
84.08030	0.4
85.02782	0.5
86.09570	0.2
87.00710	0.1
91.05390	0.2
92.05647	0.1
95.08483	0.2
97.02764	0.5
99.03214	0.1
99.04331	0.2
103.03856	0.2
107.04832	0.2
111.04358	0.1
117.03284	0.2
119.04763	0.1
120.04373	0.2
123.00698	0.2
127.03805	0.5
129.10172	0.2
131.04866	0.1
134.03600	2.0
137.05861	0.1
138.03081	0.5
138.09882	0.1
139.03828	0.1
144.05638	0.1
145.02812	0.1
148.05093	0.2
151.03812	0.8
155.04874	0.1
156.05510	0.1
163.03911	0.1
167.03375	6.2
167.04790	0.6
169.01305	0.8
175.03909	0.2
177.05336	0.2
184.03650	6.5
184.05138	0.4
185.03918	0.1
195.04309	1.1
199.07483	0.2
201.05467	0.5
212.04630	1.4
213.05443	0.3
215.07001	0.7
216.07796	1.3
223.03819	0.5
227.07042	1.1
229.04941	1.6
239.03125	0.1
240.04126	3.1
243.06483	4.4
244.07220	4.4
245.07416	0.1
254.05737	0.2
255.06474	5.5
256.06839	0.5
257.04395	0.5
259.09570	1.6
267.02765	1.1
268.03622	4.1
269.03995	0.1
271.05927	1.3
272.06696	2.5
282.05331	0.2
283.05972	7.5
284.06290	0.2
285.03912	0.9
287.08990	0.2
299.05463	5.1
300.06232	31.8
301.06516	1.7
315.08578	100.0
316.08942	5.1
476.75998	0.1
580.07446	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	563.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51410	0.4
58.85061	0.4
59.02396	0.4
64.22604	0.4
70.06486	1.0
72.08046	0.6
82.02843	1.1
84.04408	0.7
84.08039	0.5
84.43968	0.4
90.01713	0.5
92.10249	0.5
94.06501	4.4
104.04903	0.7
104.79243	0.5
110.07111	0.8
117.94287	0.5
120.08071	0.5
127.03868	0.5
130.06497	69.1
131.06783	0.7
132.04419	44.5
134.06003	0.9
135.95595	0.4
146.06044	0.7
148.07530	4.5
152.05618	0.8
157.07590	30.4
158.05984	97.0
159.06265	0.7
175.08638	100.0
176.07047	2.7
176.08873	1.9
186.05428	2.3
203.08131	3.7
204.06548	3.6
221.09181	54.5
437.18109	0.6
556.53735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37687	2.8
54.81926	3.2
55.05449	7.3
63.32344	3.0
67.05427	57.6
69.03355	6.3
69.06995	7.9
70.06490	4.6
79.05402	7.1
81.06977	69.1
83.08544	4.6
85.02830	6.8
86.09638	7.0
93.06986	17.1
95.08541	100.0
103.47910	3.1
105.07000	5.3
107.08573	6.9
109.10102	49.6
113.09580	6.1
119.08547	5.3
119.62646	3.9
121.10119	6.7
123.11674	5.7
124.38364	3.4
133.10118	8.3
135.11697	5.9
151.97023	3.6
161.13229	4.3
184.07364	4.0
243.21146	3.7
279.23175	34.7
288.83286	3.6
297.24191	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	1.2
54.08280	0.1
54.20484	0.1
55.01810	0.7
55.05451	9.3
56.24248	0.2
57.03353	0.2
59.94770	0.1
62.95449	0.1
63.02885	0.1
65.03854	1.2
67.05427	2.1
70.06503	0.7
77.03820	0.3
79.05405	0.2
81.03335	0.2
81.06956	0.2
83.04897	16.8
85.02829	1.0
86.09632	0.4
93.03294	0.2
95.01257	0.2
95.04901	3.6
95.08535	0.6
97.02797	0.2
105.03332	16.4
105.04472	0.7
107.08527	0.2
108.02040	3.2
109.02826	0.8
109.10076	0.2
111.00779	0.2
111.04404	0.8
112.01565	0.2
116.98574	0.2
119.08550	0.3
121.10118	0.2
123.04364	0.6
124.99950	0.2
126.12830	0.2
127.03878	0.4
133.10011	0.2
136.01544	0.7
141.05437	5.9
151.03883	100.0
151.04982	9.0
152.04240	1.6
159.11600	0.2
184.07317	0.9
251.05420	0.7
257.06485	1.5
279.04947	0.7
279.22882	0.2
311.42822	0.1
361.09177	1.1
401.08322	0.2
447.09125	0.3
537.84576	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	564.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	3.8
55.01814	2.1
55.05453	1.2
57.03374	6.0
59.04921	0.6
60.04441	1.1
61.02847	2.4
65.03883	0.5
67.05421	0.9
69.03345	32.2
69.06987	0.6
70.06501	2.9
70.79343	0.4
71.04904	5.5
72.08066	1.0
72.67771	0.6
73.02821	3.4
75.04411	0.9
75.67213	0.5
79.05389	2.1
81.03336	19.2
81.06970	0.7
83.01264	0.5
83.04903	2.5
84.04412	0.8
84.08060	1.1
85.02823	77.5
86.03149	0.7
86.09619	0.6
87.04388	7.6
91.05402	46.2
93.03545	0.5
93.06929	0.6
95.08572	0.5
97.02817	51.4
98.03189	0.7
99.04379	50.2
100.04671	0.7
101.02307	0.6
103.03873	100.0
105.06948	0.9
107.04893	3.4
109.02065	0.8
109.02827	21.2
110.07131	0.7
111.04381	1.0
115.03865	6.6
117.03279	0.9
117.07001	0.6
119.08537	0.8
123.04317	1.0
127.03867	99.2
128.04257	2.0
129.06979	1.0
133.04935	3.3
140.28455	0.5
143.08534	0.8
145.04926	34.9
150.07658	0.7
151.03883	0.7
162.14764	0.7
163.05977	33.9
169.05003	0.8
171.07922	0.7
177.05443	1.0
187.05991	3.1
197.04482	0.6
205.06963	1.9
215.41225	0.6
217.08539	3.3
223.06020	1.0
226.71814	0.6
235.09625	1.2
241.07001	2.3
253.07126	1.1
253.10568	2.5
255.06606	1.1
271.05649	8.5
271.08655	4.7
273.02951	0.6
285.07562	1.1
289.09122	6.4
301.09290	1.2
307.10208	16.0
379.13794	0.8
397.14804	4.3
403.12045	0.8
421.12698	0.7
575.33032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00254	1.3
53.03881	9.8
55.01809	13.1
55.05182	2.1
55.05449	50.3
57.03371	10.9
57.07010	19.0
59.04903	1.1
61.02865	9.5
67.05424	39.8
68.99708	2.3
69.03349	45.2
69.06985	87.9
70.06512	1.3
71.04897	11.6
71.08541	8.6
72.94017	1.1
73.02824	7.8
79.01266	1.1
79.05403	14.0
81.03332	39.5
81.06969	56.7
83.01254	1.3
83.04910	6.5
83.08537	59.0
85.02826	100.0
85.06473	2.8
85.10097	1.9
86.09657	4.2
87.00750	46.2
87.04375	1.3
88.52934	1.1
90.57275	1.2
91.05405	19.8
93.06968	28.4
95.04874	2.5
95.08527	50.6
97.02824	32.3
97.06461	12.0
97.10094	38.5
99.04363	11.9
99.08013	1.5
100.08911	1.2
105.01801	33.3
105.06975	20.7
107.04899	1.6
107.08541	20.1
108.04471	1.4
109.02824	27.7
109.06470	2.0
109.10114	26.2
111.08022	2.7
111.11684	14.9
113.09592	1.9
115.03878	1.4
117.01813	5.8
117.07005	1.3
119.08540	20.5
121.06465	1.4
121.10101	18.8
123.08038	4.9
123.11663	11.3
124.99975	1.5
125.09556	2.0
125.13223	5.4
127.03875	46.5
128.36995	1.2
129.01804	4.6
131.08485	2.3
133.10080	17.9
135.11687	9.7
137.09598	5.6
137.13190	2.2
139.11232	1.9
145.04913	8.7
145.10112	1.4
147.11662	18.2
149.13229	7.3
151.11145	5.1
151.14743	1.3
153.12750	1.4
159.02858	10.9
161.13252	8.9
163.14778	5.4
165.12720	6.3
165.16400	1.4
173.11659	1.2
175.14778	7.2
179.14297	5.7
179.17812	1.6
181.15874	1.8
183.13698	1.4
184.07278	6.3
185.15227	1.5
189.16364	2.6
193.15791	5.8
197.15582	1.4
199.16946	1.6
207.17520	1.9
211.17007	1.5
213.03937	1.4
221.22513	2.3
225.18343	1.7
231.05052	8.5
235.16808	1.7
245.22549	20.6
249.05956	4.5
263.23621	36.8
281.24716	16.9
304.58005	1.2
337.43478	1.2
371.25711	6.6
389.26645	5.8
407.27597	2.8
418.76996	1.2
475.26324	1.6
487.28778	1.2
493.27615	6.4
511.28555	2.2
562.06335	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	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	3.4
55.01810	3.6
55.05186	4.2
55.05450	72.4
57.03378	3.9
57.07016	21.7
57.07243	2.5
60.48988	2.3
61.02854	3.9
67.05424	53.6
69.03339	15.5
69.06988	100.0
69.19695	2.6
71.04903	4.9
71.08533	6.2
72.31457	2.6
73.02821	2.7
79.05401	19.1
81.03356	5.3
81.06975	68.5
83.04891	6.4
83.08535	58.4
85.02825	36.0
85.06459	3.7
85.87206	2.9
86.09622	6.3
87.00766	14.6
90.19049	2.3
91.05415	24.6
91.76061	2.2
93.06963	32.4
95.04901	4.1
95.08534	62.2
97.02821	15.1
97.06476	5.2
97.10091	42.6
98.83629	2.5
105.01800	17.3
105.06958	22.7
107.08522	16.2
109.02849	4.5
109.10106	29.2
111.11660	14.5
119.08537	27.1
121.10081	21.6
123.08042	5.4
123.11624	8.7
124.99979	5.2
125.13237	5.0
127.03845	31.5
133.06578	3.3
133.10109	26.4
135.11652	10.9
137.09610	3.5
137.13277	4.8
145.04951	6.0
147.11659	14.1
149.13225	5.8
151.03857	3.1
151.11177	3.9
153.00806	3.3
153.12714	3.1
161.13187	14.4
163.14771	4.6
165.12720	5.5
167.24577	2.5
175.14833	5.6
184.07275	23.8
191.44514	2.7
193.15855	3.9
229.06393	2.7
231.04886	4.4
245.22604	19.7
249.05890	4.0
256.63507	2.6
263.23575	18.9
371.25998	4.2
484.20453	4.1
547.47644	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.155
Annotation	Apiin
Peak:m/z	Relative Intensity
51.24583	0.0
52.74000	0.0
55.01806	0.1
55.05451	0.0
55.43936	0.0
56.04956	0.0
57.03373	1.2
61.02847	0.4
65.03864	0.1
66.33269	0.0
67.01791	0.1
67.05387	0.1
68.99705	0.4
69.03347	0.5
70.06506	0.7
71.01285	0.1
72.08075	0.1
73.02424	0.1
73.02827	2.3
79.19936	0.0
81.03337	0.1
84.04427	0.3
84.08049	0.3
85.02827	0.7
86.09597	0.1
87.04411	0.1
89.03867	0.1
91.05397	1.1
93.06947	0.0
95.01227	0.1
95.04878	0.1
97.02818	0.5
99.04314	0.1
104.98486	0.0
107.04894	0.2
109.02812	0.2
109.06382	0.1
110.07121	0.1
111.00750	0.2
115.03881	0.3
116.01633	0.1
117.06853	0.1
119.04881	0.7
120.08038	0.1
121.02807	0.3
127.03885	0.3
129.06746	0.0
129.10223	0.1
131.04898	0.3
131.08542	0.1
133.02795	0.2
133.04866	0.1
133.06491	0.1
135.04373	0.1
136.07481	0.1
137.02266	0.1
138.97968	0.0
138.99031	0.0
141.06946	0.3
141.97949	0.0
145.02811	1.4
145.04964	0.1
145.06432	0.2
147.04369	0.3
147.08083	0.1
149.02328	2.8
151.03897	0.1
153.01802	6.2
153.07024	0.1
158.02664	0.1
159.04370	0.8
159.08000	0.2
165.01753	0.6
169.06435	0.8
171.02859	0.1
173.05965	0.1
175.07484	0.1
177.05458	0.1
181.04887	0.1
183.02869	0.2
183.04291	0.1
185.05939	0.1
187.03867	0.3
187.07458	0.4
197.05925	1.0
200.04686	0.1
201.05421	0.2
203.07144	0.1
213.05417	0.1
215.06998	6.2
216.07431	0.1
225.05414	0.5
226.06285	0.1
227.07028	0.2
243.06465	4.0
247.05907	0.1
253.04889	1.8
255.06447	0.2
256.06931	0.1
271.05951	100.0
272.06277	3.4
272.09250	0.1
433.11221	5.4
434.11624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1546
Annotation	Apiin
Peak:m/z	Relative Intensity
53.00242	0.1
54.81223	0.0
55.01802	0.1
56.19288	0.1
57.03374	1.1
59.04925	0.2
60.04156	0.0
63.75798	0.0
67.01786	0.1
67.03650	0.0
68.99683	0.4
69.03347	2.8
70.06509	0.1
71.01265	0.0
71.66195	0.0
75.04395	0.4
79.28722	0.0
84.04424	0.1
84.08045	0.1
85.02343	0.1
85.02829	1.7
86.53167	0.0
87.04394	1.3
91.05405	1.2
92.10860	0.1
94.59582	0.0
97.02826	1.3
104.46841	0.0
107.04885	0.1
109.02823	0.1
110.03539	0.0
111.00743	0.2
115.03873	0.9
119.04901	0.8
119.47153	0.0
121.02810	0.4
127.03902	0.1
131.04901	0.3
131.08505	0.1
133.02826	0.1
133.04907	0.8
133.06517	0.1
135.04366	0.1
137.02278	0.1
141.06946	0.3
145.02812	1.5
145.04721	0.1
145.06456	0.2
147.04317	0.4
147.08055	0.2
149.02312	2.7
153.01799	5.8
155.04893	0.0
157.06490	0.1
159.04395	0.8
159.07985	0.1
165.01770	0.5
167.78209	0.1
169.06442	0.7
173.05933	0.2
175.03860	0.2
175.51302	0.1
177.05501	0.1
183.02927	0.1
187.03868	0.2
187.07487	0.3
197.05945	0.9
200.04675	0.1
201.05447	0.1
207.06519	0.3
213.05299	0.1
215.06990	5.7
216.07347	0.1
224.73349	0.1
225.05396	0.4
227.06979	0.1
229.04778	0.1
243.06464	3.8
244.06891	0.1
246.14827	0.1
253.04878	1.6
254.05327	0.1
271.05951	100.0
272.06277	4.1
283.05872	0.1
313.07007	0.4
367.07886	0.1
403.10602	0.1
407.23480	0.1
433.11230	4.7
434.11548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.155
Annotation	Apiin
Peak:m/z	Relative Intensity
51.28982	0.1
52.43156	0.1
54.07148	0.1
54.81996	0.1
55.01809	0.1
56.04936	0.1
61.02243	0.1
62.92147	0.1
65.03861	0.2
68.74780	0.1
69.03336	0.6
69.52447	0.1
70.06200	0.1
70.06513	1.8
71.04903	0.1
72.08054	0.1
81.03313	0.2
82.38456	0.1
84.04421	0.9
84.08063	0.5
85.02805	0.6
86.09604	0.3
91.05397	0.8
93.03322	0.1
95.04916	0.1
96.62263	0.1
97.02814	0.2
102.05487	0.2
103.46304	0.1
107.01277	0.2
110.07056	0.2
114.05451	0.1
115.03831	0.1
115.05347	0.2
116.06995	0.5
119.04886	0.7
121.02896	0.1
125.02316	0.5
127.03876	2.0
130.61632	0.1
133.02870	0.1
137.02272	0.2
141.06967	1.0
143.45772	0.1
145.02843	2.0
145.06482	0.2
147.04398	0.4
147.11583	0.1
149.02312	0.5
151.03828	0.1
153.01805	3.9
158.52419	0.1
165.01685	0.2
169.06448	5.1
170.06845	0.1
173.05911	0.2
175.03810	0.4
181.04877	0.4
181.06418	0.2
183.04318	0.1
195.38347	0.1
197.05942	6.5
197.07773	0.2
198.06314	0.2
207.06506	0.6
215.06992	9.0
216.07321	0.2
225.05399	2.5
226.05980	0.1
227.06955	0.1
243.06499	2.6
253.04903	2.2
254.05310	0.1
271.05951	100.0
272.06299	3.3
297.20657	0.1
320.39087	0.1
382.49475	0.1
402.11658	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	565.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96016	0.2
53.03881	1.3
53.16923	0.2
57.03360	0.4
61.02853	0.3
61.42755	0.2
61.83706	0.2
69.03349	2.8
71.04909	0.4
73.02832	0.3
73.58466	0.2
81.03331	3.4
81.59155	0.2
85.02831	6.3
92.10283	0.2
97.02826	4.8
99.04383	4.8
102.53710	0.2
103.03875	4.7
109.02156	0.2
109.02844	3.3
123.02430	0.2
127.03876	100.0
128.04211	2.3
145.04959	2.3
162.14545	0.2
163.05978	0.4
187.05995	0.8
271.08014	0.4
289.09103	0.3
317.11996	0.2
345.00894	0.2
433.13385	2.2
450.53796	0.2
572.60547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66953	0.3
64.60258	0.3
70.06511	0.5
72.08054	0.4
74.02350	1.2
81.03351	0.3
85.02822	0.6
86.09649	1.4
91.05403	0.4
92.10892	0.6
96.08360	0.3
103.03911	0.5
103.05315	0.5
107.41467	0.3
109.02834	0.5
115.05401	1.5
115.24504	0.3
117.05698	0.7
117.06965	1.6
118.06488	28.2
119.06802	0.3
127.02943	0.4
127.03870	12.3
128.04263	0.3
130.06480	4.2
132.08057	8.4
132.10144	0.3
142.06509	3.1
143.07288	3.0
144.04439	0.6
144.08058	18.4
145.08427	0.5
146.05984	97.2
147.06323	3.0
157.07587	1.7
159.09142	9.6
160.07516	1.4
160.09589	0.4
170.05994	7.6
188.07025	100.0
189.07439	3.3
205.09688	29.0
206.10034	1.1
256.09857	1.3
257.10629	0.5
269.10715	1.8
270.11331	1.2
271.12314	2.1
281.10599	1.1
282.11441	4.2
283.11996	0.4
285.10150	0.4
309.10513	0.9
327.11304	2.0
344.13864	3.0
361.16443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68496	0.7
53.03892	1.3
55.01794	0.9
55.05455	3.1
56.04973	1.7
56.96497	1.1
57.03370	0.8
65.03889	0.8
67.05428	6.5
69.03342	10.6
69.06984	1.7
70.06512	20.3
71.04910	1.9
74.05970	0.9
74.14710	0.7
76.49141	0.8
78.74725	0.7
79.05405	4.0
81.03339	1.4
81.06969	5.2
83.04893	4.1
83.06050	0.9
84.04433	10.1
84.08068	8.0
85.02823	5.9
86.09657	2.9
88.03945	1.0
90.05533	0.9
91.05405	9.5
93.03351	1.4
93.06977	11.4
95.04890	15.3
95.08541	5.1
97.02820	4.2
97.06467	1.9
99.04379	1.6
102.05512	1.1
103.03889	1.5
103.05417	1.1
105.06973	18.3
107.08522	5.8
109.02843	1.9
109.06474	8.1
109.10115	1.6
110.07125	4.4
111.04379	9.3
111.08069	1.8
113.05949	3.0
115.05405	1.2
117.06968	4.1
119.04880	1.8
119.08530	22.9
120.08072	1.2
121.02811	3.5
121.06449	11.5
121.10122	4.5
123.08015	7.8
127.03876	23.6
128.06169	1.1
129.06941	4.7
129.10216	4.4
130.04950	1.4
131.08543	14.6
133.10109	5.9
135.08011	17.2
136.07579	1.3
136.97682	0.7
137.05963	1.4
137.09613	1.8
139.07549	1.1
141.06973	3.9
142.05821	0.8
142.07719	1.1
143.08530	7.7
144.05634	1.0
144.09337	1.9
145.02856	1.7
145.04961	1.2
145.06467	3.8
145.10075	11.3
147.04375	1.7
147.08055	11.6
147.11661	3.5
149.02310	0.8
149.05974	1.1
149.09615	4.3
151.03868	1.7
153.01813	4.4
155.08522	1.5
156.09256	1.9
157.10138	5.5
158.07251	5.5
158.10924	0.8
159.08035	11.2
159.11649	10.0
161.09581	12.0
163.07492	1.5
165.09055	6.4
169.06458	5.3
171.07976	1.2
171.11647	1.8
172.08789	6.8
173.09578	4.4
173.13240	6.6
175.07504	15.4
175.08884	1.3
175.11029	7.2
181.04988	1.3
181.10086	1.0
183.11665	4.4
185.09485	1.6
186.10384	1.8
187.11150	10.0
189.09077	5.9
189.12762	3.8
193.08543	1.3
193.10158	1.0
196.08841	4.4
197.05972	4.6
199.11172	8.1
201.12680	6.9
203.10602	6.5
207.06429	1.9
207.10114	1.5
211.11151	5.5
215.07076	7.9
217.12215	6.0
219.13681	3.2
225.05502	1.5
229.12169	7.3
243.06450	3.5
247.13205	24.9
253.95145	0.8
265.14291	49.3
266.14780	0.9
271.05948	100.0
272.06250	8.1
429.47888	0.9
519.56952	1.0
539.26904	0.8
565.21936	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	63.0
55.09166	7.5
56.82222	6.7
57.03369	10.2
57.07009	40.3
65.76821	10.7
67.05432	59.6
69.03343	42.0
69.06988	82.3
71.04900	11.4
71.08543	33.9
73.02841	8.2
75.09788	8.1
77.48795	7.3
77.90864	8.1
81.03328	19.8
81.06978	100.0
83.08548	66.8
85.02834	77.2
85.10099	10.1
87.00738	33.6
89.23987	8.0
91.05422	11.4
93.06956	19.1
95.08542	83.7
97.02807	12.2
97.10088	35.4
98.36179	8.6
99.04366	11.8
105.01796	14.9
105.06982	13.6
107.08539	16.7
109.02857	16.1
109.10131	38.6
111.11687	18.2
119.08549	19.4
121.10085	15.0
123.11657	14.9
127.03891	62.3
127.34289	9.1
131.08563	9.7
133.10118	20.1
135.11737	10.2
137.09592	12.3
144.03484	7.7
147.11679	18.6
161.13205	12.7
175.14859	11.2
184.07304	17.0
201.16344	8.8
245.22667	11.9
263.23584	42.6
281.24695	42.8
299.25677	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	566.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	2.6
55.01810	0.6
55.05448	0.5
63.08427	0.2
67.05431	2.2
69.03001	0.5
69.03350	8.0
69.03699	0.5
69.06998	0.4
70.06499	0.6
71.04917	0.4
71.67514	0.3
72.08085	0.3
76.11362	0.2
77.03847	0.6
79.05406	1.8
81.03326	0.5
81.06969	1.2
82.16709	0.3
83.04903	0.3
83.08565	0.3
84.04453	0.4
84.08050	1.5
85.02796	0.4
86.09637	1.4
87.04406	0.3
91.05401	4.0
92.10323	0.4
93.06964	3.8
94.91683	0.3
95.04276	0.4
95.04893	12.7
95.08540	1.2
97.02811	1.1
104.10695	0.3
105.03336	100.0
105.06969	8.7
106.03665	1.7
107.04869	0.4
107.08540	2.0
109.02795	0.3
109.06448	1.5
109.10130	0.4
111.04408	1.2
115.05396	1.3
117.06974	1.3
119.08541	5.8
120.08040	0.3
121.06476	2.3
121.10069	0.3
122.06007	0.4
123.04395	0.3
123.08012	3.3
124.99901	0.2
128.06189	3.4
129.06985	3.0
129.10205	0.4
131.08531	7.3
131.09450	0.5
132.09296	0.4
133.06415	0.4
133.10100	9.0
135.08012	3.9
137.09613	0.4
141.06960	4.6
142.07755	4.3
143.08543	11.5
144.09280	0.5
145.06465	2.2
145.10107	4.2
146.07245	1.2
147.08006	1.1
149.09544	0.3
151.03931	0.3
153.06961	3.0
154.07761	1.7
155.08528	8.0
156.09320	13.3
157.06451	0.5
157.10097	4.4
158.07265	2.1
158.10855	0.6
159.08023	3.5
159.11671	2.3
161.09578	3.2
165.06996	0.9
166.07776	1.6
167.08511	1.8
168.09280	7.3
169.06465	0.4
169.10051	3.2
170.10899	2.2
171.08034	2.5
171.11664	9.9
172.08771	2.9
173.09601	2.9
173.13190	3.6
178.07758	5.9
181.06482	3.6
181.10004	2.5
182.07225	0.4
183.08026	0.6
183.11656	10.4
183.13312	0.4
184.07307	1.7
184.08803	1.1
185.13263	0.4
186.10359	1.1
187.07506	0.5
187.11113	3.3
187.12526	0.3
188.08450	0.3
189.09120	0.3
193.10101	9.2
195.07993	1.0
196.08794	7.4
199.11148	25.3
201.12686	3.9
211.11145	16.3
214.10063	0.3
217.12231	1.9
220.51268	0.3
229.12193	15.7
247.13226	6.3
333.14923	1.6
351.15826	13.4
369.16910	1.1
524.98639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26847	0.2
51.67910	0.2
53.00293	0.2
53.03871	0.4
53.90881	0.2
54.15828	0.2
57.18692	0.2
59.69877	0.3
63.02304	1.1
64.99036	0.2
65.03863	2.5
66.64053	0.2
67.05424	0.6
69.03347	1.6
70.06514	2.7
71.04910	0.3
72.08061	0.4
78.04632	1.9
79.05402	0.5
81.03337	1.3
81.06956	0.3
82.03663	0.3
82.04104	0.4
84.04423	1.2
84.08059	0.6
85.02821	5.3
89.03835	19.5
91.05405	4.3
93.68354	0.3
95.04888	1.3
97.02821	2.7
97.06436	0.3
99.04356	3.4
103.03874	5.5
103.05404	1.0
105.09389	0.3
106.04115	1.5
107.08588	0.4
108.02024	0.3
109.02815	1.7
110.03602	0.4
110.07104	0.6
111.04388	0.5
113.05975	0.4
116.52531	0.3
117.03326	52.7
118.03681	0.5
119.04898	3.6
119.08569	0.3
121.10102	0.5
124.05176	1.1
125.05898	0.4
127.03874	6.0
128.04237	0.4
129.10191	0.4
133.10083	1.3
134.03590	4.8
135.04384	4.6
135.11671	0.3
137.09569	0.4
142.02574	0.3
145.02820	96.7
145.04854	2.4
146.03181	1.9
147.04379	3.3
149.05952	19.2
149.09621	0.6
151.03839	0.5
158.05919	0.4
162.03030	0.4
163.03891	1.1
163.05992	0.5
171.06436	2.0
175.03821	4.3
177.05431	100.0
178.05807	2.0
181.04907	15.4
186.05420	1.4
189.12669	1.4
207.06494	4.7
225.14795	1.2
370.11304	0.4
478.89029	0.3
555.00000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03869	0.4
54.55922	0.2
55.01811	0.2
58.47265	0.2
58.73695	0.2
62.01530	0.3
63.02299	0.6
65.03868	2.2
67.05408	0.6
69.03340	0.4
70.06504	3.8
72.08053	0.3
78.04610	0.5
78.53345	0.2
79.05421	0.6
82.04117	0.5
84.04433	1.5
84.08072	1.2
85.02814	2.4
86.09621	0.4
89.03838	20.2
91.05396	4.0
93.06984	0.4
95.04897	0.6
95.22466	0.3
97.02810	0.5
99.04372	0.5
102.05551	0.4
103.03871	0.4
103.05395	1.1
105.03339	0.4
105.59891	0.3
106.04143	0.6
110.03650	0.4
110.07114	1.2
111.04372	0.5
117.03330	54.4
118.03627	0.3
118.15472	0.2
119.04882	4.5
121.72624	0.2
124.05135	0.4
125.05933	0.4
127.03912	0.4
129.10167	0.4
131.08598	0.3
134.03612	4.4
135.04399	4.6
138.03093	0.3
139.90199	0.3
142.02542	0.3
145.02824	99.0
146.03133	1.6
146.05896	0.3
147.04416	3.4
149.05952	20.1
150.06293	0.3
151.03856	0.6
162.02933	0.3
163.03877	1.3
171.06436	1.3
175.03862	3.1
177.05434	100.0
178.05748	1.3
181.04921	15.7
186.05479	1.4
207.06421	3.6
217.43051	0.3
526.25262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61175	0.2
53.03891	0.4
55.01809	0.3
56.04971	0.5
56.92520	0.2
63.02312	1.0
65.03869	3.1
65.81042	0.2
67.05423	1.1
69.03353	0.4
69.06982	0.2
70.06506	8.0
71.09550	0.2
74.06000	0.3
78.04623	1.2
79.05396	0.6
80.29190	0.2
82.04132	1.1
83.04932	0.2
84.04428	5.6
84.07685	0.2
84.08078	2.7
85.02829	2.7
86.09618	1.5
89.03838	18.5
91.05404	2.9
92.58324	0.3
93.03347	0.3
95.04887	1.2
97.02814	0.5
97.06454	0.6
101.07085	0.3
102.05471	0.6
103.03882	0.4
103.05388	1.1
106.04099	1.1
110.03600	1.2
110.07127	3.2
111.04382	0.5
115.08634	0.3
116.07044	1.7
117.03328	52.3
118.03682	0.3
119.04877	1.7
120.08018	0.3
121.06477	0.3
124.05177	0.5
125.05939	0.3
127.03870	3.7
128.04205	1.2
129.04343	0.3
129.10213	1.0
130.04964	0.4
130.62207	0.2
134.03613	5.0
135.04391	3.8
136.07562	0.3
136.59738	0.2
138.03021	0.3
142.02612	1.1
145.02823	100.0
146.03163	1.5
147.04405	1.8
149.05954	16.9
150.06334	0.3
151.03876	0.4
163.03886	1.2
171.06529	2.8
175.03877	1.2
177.05432	97.5
178.05754	2.2
181.04913	23.8
181.80882	0.2
182.05348	0.3
186.05426	1.2
207.06438	1.5
210.83394	0.3
221.38535	0.2
253.11636	0.3
273.34949	0.2
297.07895	0.2
351.63339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01815	0.5
56.04974	0.6
63.02303	0.6
65.03858	2.9
67.05421	1.4
69.03328	0.5
70.06143	0.4
70.06507	7.8
72.08062	0.8
78.04617	1.5
79.05421	0.6
81.03335	0.4
81.06955	0.6
83.06050	0.3
84.04416	3.5
84.08062	2.0
85.02818	3.4
86.09619	1.6
89.03838	20.9
91.05396	6.0
93.06983	0.6
95.04894	1.8
97.02841	1.2
97.06450	0.8
99.04377	0.5
103.03912	0.4
103.05373	0.6
106.04113	0.6
107.04949	0.4
108.02071	0.5
110.03635	1.6
110.07104	1.6
115.08659	0.5
117.03326	52.1
119.04897	5.7
120.08065	0.5
124.05146	0.4
125.05913	0.8
127.03878	0.5
128.72179	0.4
129.10201	0.5
134.03583	4.6
135.04390	4.6
136.07574	0.5
138.03038	0.3
138.05428	0.4
141.06581	0.4
142.02579	0.5
145.02818	100.0
146.03165	0.7
147.04414	5.0
149.05951	18.8
151.03851	1.7
158.05936	0.4
163.03876	1.9
171.06552	3.0
175.03893	4.4
177.05429	94.2
178.05705	1.2
181.04910	22.0
186.05466	0.8
187.49263	0.3
207.06445	5.2
255.06502	4.0
273.07599	0.5
356.06531	0.5
369.42511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	7.3
55.05447	13.1
57.07003	4.6
65.03852	1.4
67.05428	23.2
69.06984	21.8
71.01272	19.3
75.04384	5.5
79.05404	15.0
81.06504	1.9
81.06970	47.2
83.08537	9.2
85.02824	13.5
88.34075	1.1
91.05403	12.7
93.06970	40.0
95.04927	1.4
95.08531	100.0
97.06444	1.4
97.10110	5.3
101.02318	41.6
105.06969	42.3
106.05318	1.1
107.08538	57.3
109.06487	2.0
109.10101	49.4
111.08033	14.4
111.11671	2.0
117.06960	4.3
119.08533	52.3
121.09218	1.4
121.10094	39.6
123.11662	18.5
127.03887	12.4
131.08516	14.9
133.10100	39.0
135.11665	25.6
137.13176	7.4
139.11154	1.8
143.08536	4.7
144.09328	1.1
145.04932	20.4
145.10101	26.9
146.10577	0.9
147.11658	30.8
149.13226	16.5
151.11165	1.5
151.14717	0.9
155.21776	1.1
157.10123	7.7
158.10818	1.5
159.11673	27.5
161.13216	21.7
163.11206	1.6
163.14777	13.1
163.39522	1.0
171.11642	5.6
172.12418	1.2
173.13210	18.1
175.14763	15.8
177.16380	17.9
183.11649	1.3
184.07257	1.6
185.13142	6.9
187.14786	15.3
189.16336	18.7
191.17947	8.0
193.15828	1.8
197.13231	1.6
199.14804	5.5
201.16336	31.2
203.17914	22.7
205.15889	5.1
205.19447	3.8
207.17264	3.2
213.16377	2.2
215.17924	12.2
217.15886	3.7
217.19449	11.4
219.17354	5.8
221.19130	0.9
227.17867	8.2
229.19504	8.1
231.17331	1.1
231.20921	1.8
241.19597	1.6
243.20958	1.9
255.21040	5.5
257.22549	4.3
269.22571	7.9
283.24133	2.0
285.34695	1.1
320.36877	1.1
365.31857	4.9
405.35089	6.0
423.36136	66.9
424.36371	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	567.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31491	3.0
55.05444	5.7
57.06997	4.7
60.08102	5.0
61.92989	2.8
64.43761	2.9
67.05424	30.4
68.70792	3.0
69.06967	6.7
70.06516	2.8
71.01241	4.0
76.02126	3.1
76.39139	2.5
79.05408	16.0
80.29452	2.9
80.80135	2.8
81.06976	38.4
83.08520	11.5
86.09610	20.8
90.32875	2.7
91.05402	7.2
92.10831	5.4
93.06983	30.4
95.08523	100.0
101.02309	12.1
105.06975	33.2
106.75655	3.2
107.08540	59.8
108.06168	3.4
108.60690	3.5
109.10091	34.2
111.08012	4.2
119.08509	37.4
121.10102	42.1
123.11636	12.9
124.99942	15.5
127.03867	31.4
133.10117	37.3
135.11667	43.6
139.11084	3.6
139.29257	3.1
145.04851	4.6
145.10049	5.7
147.11681	29.5
149.13226	6.8
159.11642	20.1
161.13213	21.4
163.14908	4.6
173.13235	13.2
175.14813	14.4
177.16318	4.7
184.07227	30.0
187.14719	6.2
189.16356	12.7
191.17839	5.6
195.17447	3.7
201.16382	5.1
203.17915	22.8
215.17905	5.3
217.19455	6.8
227.17871	6.4
228.18625	4.1
229.19415	13.0
283.23657	3.1
423.36105	74.7
424.36819	3.7
547.81323	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	568.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00254	0.3
53.03879	1.7
55.01807	1.8
55.05438	0.7
56.04977	2.6
57.03373	2.9
57.07008	1.5
61.02858	4.2
65.03845	0.5
67.05432	4.1
69.03350	10.9
69.06994	2.3
70.03682	0.8
70.06511	21.1
70.06897	0.7
71.04612	0.3
71.04922	5.5
71.06834	0.7
72.08089	0.4
73.02821	2.3
79.05410	4.4
81.03348	7.1
81.06958	0.7
82.03665	1.3
82.06491	0.5
83.04902	1.8
83.06023	0.4
84.03947	0.6
84.04429	13.0
84.08067	4.4
85.02831	44.8
85.04755	0.4
85.06467	24.8
85.06992	0.8
86.03166	2.6
86.09621	3.0
87.03252	0.6
87.04388	0.5
91.03886	1.4
91.05423	3.2
92.10280	0.5
93.06971	5.4
95.04893	0.7
95.06038	0.3
97.02828	14.6
97.03448	0.5
97.06458	1.4
98.03164	1.5
99.04387	7.8
99.08022	1.4
100.04732	0.6
101.04858	0.4
101.07108	0.6
102.05476	1.7
103.03876	5.9
104.04213	0.7
105.06986	5.1
107.04881	2.6
107.08539	6.7
109.02841	7.1
109.06462	1.3
110.03121	0.8
110.07127	5.9
111.04405	3.7
112.08698	0.6
113.07061	0.8
115.03830	0.4
115.08648	1.8
116.07050	1.8
117.03358	1.2
117.06961	1.9
119.08548	5.6
120.08063	0.8
121.06439	4.5
121.10110	5.0
123.08032	0.5
125.05952	1.6
127.03878	100.0
128.04218	39.7
129.04330	20.2
129.06868	1.5
129.10179	0.6
130.04672	5.0
131.08536	19.6
133.10054	0.4
135.08029	1.9
135.11650	1.4
136.22168	0.4
136.79915	0.3
137.05981	0.7
137.09590	2.2
139.07532	0.4
140.08305	0.4
141.05367	0.4
145.02841	1.9
145.04944	7.9
145.10117	9.4
146.03159	0.7
146.05354	0.4
147.05455	0.4
147.08028	1.5
147.11691	0.5
148.06038	0.5
149.05984	1.3
149.09601	19.4
153.05428	0.7
155.07005	0.6
155.08275	0.5
163.06015	2.2
163.11140	6.2
165.09123	2.8
167.06976	0.8
167.10641	7.6
171.10216	0.5
173.09579	1.8
177.05435	2.0
178.05774	0.8
181.04886	4.7
181.06142	0.3
191.10645	17.3
192.11119	0.6
197.60698	0.3
199.10757	0.4
209.11690	17.7
227.12752	42.6
228.12961	0.5
237.13510	0.6
434.13934	0.5
435.14172	0.5
436.14270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30941	2.0
55.01795	3.6
55.05429	2.4
56.04961	2.0
57.03374	5.2
59.17751	2.1
61.02842	5.1
67.05413	11.2
67.52133	1.8
69.03354	24.0
70.06515	23.5
71.04893	12.1
72.73621	2.0
73.02817	3.3
79.05405	14.6
81.03313	10.3
81.06958	2.1
83.04900	2.5
84.04416	13.6
84.08053	11.9
85.02829	87.6
85.06466	57.2
87.59353	2.0
88.03918	3.1
91.03869	2.7
91.05394	11.9
93.06959	10.6
95.04903	3.5
97.02820	32.0
99.04379	4.8
103.03866	3.4
104.44342	2.2
105.06986	9.5
107.04917	7.8
107.08546	15.5
109.02852	8.3
109.06429	2.2
110.07101	4.8
111.04382	12.1
112.08696	3.3
113.07013	2.2
117.06939	3.3
118.06457	3.4
119.08487	13.7
121.06424	4.9
121.10094	13.4
123.08020	2.3
125.05946	3.6
127.03874	44.2
127.04829	4.5
128.04190	8.7
129.10222	3.1
131.08525	46.9
132.08015	9.7
145.04948	16.0
145.10124	19.9
146.06000	15.7
149.09599	44.7
151.03749	2.5
153.05420	2.3
163.05975	2.9
163.07428	2.3
163.11140	17.5
165.09094	9.4
167.07004	2.6
167.10677	20.6
169.04883	3.7
173.09616	4.2
177.05421	8.6
181.04874	4.6
188.07030	12.5
191.10590	38.9
209.11684	45.1
227.12729	100.0
228.13057	2.8
243.08777	2.6
262.11670	10.2
339.10965	4.3
453.55096	2.2
543.77826	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	568.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02390	0.8
53.44236	0.8
54.81357	1.0
55.04644	0.9
55.05441	2.0
56.04961	1.1
56.91796	0.8
57.03355	1.1
60.08092	17.2
67.05419	4.4
69.51560	0.8
70.06503	2.1
71.04878	1.3
71.07273	7.9
71.74453	0.8
79.05391	1.9
80.24891	0.8
81.06969	1.9
84.08070	5.0
85.02827	1.1
86.06026	0.8
86.09628	68.6
91.05403	1.9
93.06943	1.5
95.08525	1.7
97.06454	1.1
98.98395	5.5
101.17633	1.1
104.10675	75.7
105.06944	1.1
107.08533	1.2
109.09406	1.1
110.07066	1.8
111.14877	0.9
111.45805	1.3
121.10084	1.3
124.99030	1.6
124.99957	34.2
127.03833	1.3
129.10197	1.2
184.07298	100.0
212.92563	0.9
220.42662	1.0
223.78055	1.1
261.96280	1.2
462.25800	7.3
514.28925	1.5
532.30353	12.5
550.31396	26.4
568.29913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.42
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05459	13.3
62.96135	6.3
65.80083	6.6
67.05424	31.0
67.46385	5.4
69.06978	32.8
71.01269	26.7
79.05422	7.5
81.06975	38.8
83.08553	12.6
85.02825	33.7
91.05385	11.1
93.06953	38.1
95.08527	100.0
97.06497	6.5
101.02325	56.1
105.06986	32.0
107.08556	54.3
108.08849	7.0
109.10102	68.3
119.08524	45.7
121.10106	35.6
123.11668	15.6
127.03809	6.6
133.10089	41.1
135.11674	33.8
145.04903	10.0
147.11708	11.2
149.13268	10.1
157.10056	7.0
159.11591	12.0
161.13228	40.0
161.37987	6.6
175.14751	34.0
177.16406	7.6
189.16370	15.3
191.17908	6.6
203.17851	14.1
207.17400	12.5
217.19469	9.9
242.02827	6.5
266.83698	6.1
407.36307	7.9
424.36298	6.5
425.37485	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	569.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33940	2.4
55.01820	4.5
55.05449	15.0
57.07016	4.7
62.60871	2.5
66.46280	2.9
67.05424	30.0
67.05726	3.2
69.06976	29.2
69.85546	2.5
69.85918	2.8
71.01263	41.0
75.04391	7.1
76.33243	2.8
79.05402	15.3
81.06967	47.4
83.08528	13.1
85.02838	27.6
91.05392	21.0
93.06980	48.3
95.04841	4.1
95.08535	100.0
97.10145	5.3
101.02306	74.7
105.06964	33.2
107.08528	67.5
109.10106	78.3
111.07970	4.4
119.08548	58.6
121.10100	51.9
123.11645	40.3
127.03868	5.4
131.08519	5.1
133.10088	48.4
135.11650	49.7
139.08585	4.5
142.69862	3.5
145.04944	45.4
145.10063	6.4
147.11671	41.3
149.13234	21.8
159.11653	16.2
161.13200	57.0
163.14784	20.6
171.11708	3.2
173.13185	15.4
175.14767	42.2
177.16339	20.2
184.07318	14.0
187.14751	6.4
189.16338	37.3
189.38417	3.0
191.17958	6.3
200.15486	3.1
203.17899	26.1
205.19511	11.9
207.17432	26.8
215.17931	5.1
217.19456	36.2
229.19339	6.4
231.20978	4.4
245.22707	4.3
271.24149	11.9
296.19809	3.6
407.36584	29.3
425.37595	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	570.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	0.2
55.01796	0.5
55.05451	0.2
56.04971	0.5
60.68966	0.2
61.42255	0.2
61.76833	0.3
65.03867	1.4
67.05093	0.3
67.05421	2.5
70.06510	5.6
72.08073	1.4
72.14342	0.2
72.77409	0.3
81.03358	0.3
81.24089	0.2
83.04913	0.2
84.04424	3.2
84.08059	2.8
85.02827	1.2
86.09639	1.1
89.03844	0.4
91.05408	0.3
95.04895	1.6
102.05492	1.0
103.30617	0.3
105.06993	0.3
107.04928	0.3
108.02048	2.4
109.02818	0.5
109.06474	0.3
109.10033	0.4
110.07109	1.3
111.04404	1.0
115.08688	0.3
117.03317	2.1
118.03695	0.3
119.04916	0.4
123.04392	0.5
127.03870	0.4
129.10199	1.1
131.08546	0.3
135.04227	0.3
136.01550	0.5
136.07530	0.5
137.05981	0.3
141.05452	6.3
142.08527	0.3
145.02814	3.0
146.03180	0.6
149.05951	0.4
151.03893	100.0
151.04997	9.9
152.04221	2.2
175.86917	0.3
177.05463	2.9
177.10483	0.3
178.05791	0.4
181.04930	1.5
201.05724	0.3
203.37582	0.3
204.92538	0.3
255.06680	0.3
367.06668	1.4
385.07413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96488	0.3
60.04446	0.4
67.05419	0.3
67.76713	0.2
69.03352	0.3
70.06516	1.1
78.34782	0.3
79.05396	0.4
83.04889	1.3
84.04408	1.2
84.08072	0.3
85.02822	0.4
86.09641	0.6
88.03906	0.3
89.04321	0.3
91.05385	2.7
92.10844	0.4
93.06973	1.4
103.05399	5.9
105.06979	1.4
107.04913	2.1
117.06936	0.7
119.08553	3.0
120.08057	100.0
121.08414	2.7
127.03882	0.3
128.06219	0.3
129.06931	2.3
131.04875	3.0
133.10081	0.3
136.07608	0.3
141.05440	0.4
143.08504	2.3
147.04405	0.4
147.08028	4.9
149.05951	1.7
150.24040	0.3
151.03905	0.3
153.06978	0.5
156.07571	0.3
161.09561	1.2
165.05341	0.4
165.09082	0.5
166.08597	24.5
167.09015	0.3
179.10701	0.3
189.08986	2.5
207.10097	7.1
225.11183	1.7
311.12204	0.3
335.48917	0.3
339.41797	0.3
386.47797	0.3
492.04825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19724	0.5
53.63432	0.5
54.59571	0.5
56.04974	3.9
60.04463	5.4
67.05433	2.7
69.03358	0.6
69.06994	0.8
70.06511	100.0
71.04901	0.9
71.06823	1.3
72.08070	1.0
73.08408	0.5
74.05990	0.7
79.05398	1.3
81.03352	0.8
81.06983	2.2
82.06502	0.8
84.04436	9.6
84.08069	94.3
84.68357	0.5
85.02844	5.0
85.04785	0.8
85.06503	1.0
85.08436	0.7
86.09628	15.1
87.23650	0.6
91.05406	3.7
93.06980	1.2
95.04902	0.8
96.08084	0.6
97.02838	3.2
99.04368	0.7
100.11201	0.7
101.10694	0.7
102.05497	4.1
104.81470	0.5
105.06947	2.4
107.08617	0.9
108.04406	0.7
109.02817	0.6
109.10127	0.6
110.07150	4.9
112.07560	0.8
112.08670	1.0
114.08973	0.5
114.11496	0.6
115.08675	3.1
116.07028	0.7
117.03350	1.2
119.04927	1.0
120.08028	0.7
127.03900	0.9
127.08639	19.2
128.10732	0.9
128.99516	0.6
129.06621	1.0
129.10216	9.2
129.11113	0.8
130.04987	0.7
131.08588	2.2
133.10123	1.1
134.99567	0.6
136.07607	2.9
137.06003	4.9
137.06937	0.8
139.08737	0.9
140.07022	0.6
141.10199	0.9
145.02853	3.0
147.04401	1.3
147.07698	0.7
149.09705	0.9
151.03899	3.8
153.10208	7.3
155.08116	11.7
157.06122	0.9
161.05936	0.7
168.11221	0.7
169.09709	2.9
171.11230	7.3
177.05482	3.7
181.04994	3.3
181.09651	0.8
183.14886	13.9
190.79880	0.6
193.66933	0.8
195.11304	0.8
201.12303	2.1
211.14568	4.3
215.13875	0.8
222.12334	1.2
232.33881	0.6
240.13422	0.9
240.16977	1.0
250.15459	0.7
258.14441	0.9
268.16656	0.9
280.16498	1.2
298.17627	1.5
385.20831	1.4
422.20343	1.2
424.22092	0.9
442.22736	0.8
489.28210	0.7
534.30164	3.6
535.29163	1.3
542.32977	1.2
552.31665	6.4
570.09894	1.2
570.32361	43.9
571.32587	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	570.34
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23431	0.6
55.05445	3.8
56.04964	1.1
56.56972	0.7
56.84986	0.6
58.06515	0.9
60.08096	22.7
67.05421	4.0
69.06988	1.7
70.06509	5.5
71.07293	9.4
72.08055	1.6
79.05387	1.1
81.06990	1.7
83.08537	0.8
84.04435	2.9
84.08071	6.8
84.57510	0.8
85.02866	0.8
86.09625	72.3
87.09939	0.9
91.05393	1.3
93.06969	1.4
95.08508	3.3
97.02822	1.0
98.98394	3.9
104.10676	100.0
105.11029	1.3
107.08478	1.1
109.10091	3.4
110.07104	1.5
121.10080	1.0
124.99959	42.9
125.09598	0.9
129.10208	1.5
133.10181	0.9
137.09689	0.8
140.04448	0.9
147.24524	0.9
184.07303	94.4
185.07719	0.9
284.80762	0.9
286.58859	0.9
340.61380	0.8
358.22922	1.0
412.20929	8.5
452.24023	6.4
516.30554	1.9
534.31714	8.7
535.31903	1.4
552.32855	12.1
570.33771	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	570.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	3.2
56.04969	1.3
58.06535	1.1
59.93314	0.6
60.04455	0.8
60.07793	0.8
60.08096	23.5
67.05405	5.1
68.88082	0.8
69.03336	1.1
69.06976	0.9
70.06494	4.7
71.07284	8.2
74.59373	0.7
79.05408	1.2
81.06957	3.5
83.04882	1.3
84.04420	3.3
84.08056	8.0
85.02805	1.6
86.09628	71.8
87.09953	1.5
91.05397	1.5
93.06955	1.6
95.08508	2.0
98.98438	2.5
102.05450	1.0
104.10680	91.2
105.10982	1.7
107.08516	1.1
109.10076	3.7
110.07058	1.5
121.10103	1.1
124.99965	42.0
129.10187	1.9
135.11682	0.9
164.94328	0.7
166.93573	1.1
184.07304	100.0
185.07611	4.2
269.21014	1.4
412.20786	6.7
452.23944	5.7
534.31653	8.6
552.32855	11.1
558.37201	0.9
570.34082	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	571.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	1.2
55.01814	0.5
56.04972	0.6
57.03363	0.4
58.09867	0.3
65.03537	0.5
65.03866	10.2
65.49667	0.4
67.05431	4.7
69.03358	3.0
70.06190	0.5
70.06515	7.5
72.08061	0.7
73.02821	0.5
76.02130	0.5
79.05420	0.6
81.03330	1.4
82.04134	3.8
83.06013	0.4
84.04440	4.9
84.08069	2.2
85.02829	9.8
85.06462	0.7
86.06001	0.8
86.09658	1.3
91.05399	0.4
92.10150	0.6
93.03320	1.4
95.04893	1.8
97.02824	1.7
97.06451	2.9
99.04365	3.1
103.03880	4.3
107.04934	0.5
108.02028	2.0
109.02818	0.6
110.03619	5.0
110.07124	3.1
111.04425	3.7
116.01658	0.5
116.07027	0.6
116.37744	0.3
120.08060	0.5
125.02303	0.3
125.05956	3.0
127.03883	4.7
129.10184	1.4
136.07533	0.5
137.02255	0.5
138.03091	2.7
142.02611	1.8
145.04936	1.7
151.03891	1.5
153.05406	0.6
153.90718	0.3
158.02667	1.5
163.05980	0.8
171.06500	11.5
181.04924	100.0
182.05333	3.5
193.06442	0.8
277.12714	0.9
302.12518	0.6
308.60242	0.4
319.14966	0.6
404.70761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	6.8
54.80981	1.1
55.01802	1.5
55.05444	1.1
56.04968	2.6
57.03372	1.9
60.08713	1.2
60.36420	0.8
61.02835	1.2
67.05418	5.7
69.03347	19.2
69.53802	1.0
70.06139	1.9
70.06507	43.2
70.85838	0.9
71.04901	7.0
72.08054	1.7
73.02827	4.5
74.78171	0.9
81.03332	19.2
81.06976	2.2
83.04887	2.1
84.04425	20.9
84.08073	11.0
84.68104	1.0
85.02827	68.3
85.06489	1.2
86.09607	6.6
87.04340	1.0
91.05389	3.9
92.10194	2.1
93.06977	6.0
95.04890	2.6
95.06010	1.3
95.08504	1.6
97.02824	20.7
97.06475	1.5
99.04388	60.7
102.05471	5.1
103.03880	100.0
105.06941	7.1
107.08544	2.4
109.02829	18.3
109.06478	4.6
109.49124	1.0
110.07113	8.9
110.14856	1.0
111.04377	4.2
115.03881	1.4
116.07040	4.0
117.06996	1.1
119.08540	8.8
120.08053	2.2
121.06448	4.1
121.10097	1.7
123.08076	2.0
127.03876	96.1
128.04192	2.0
129.10176	6.0
130.04982	1.4
131.08510	5.9
133.10092	3.9
135.08012	4.5
142.07739	1.3
143.08502	1.2
145.04938	28.4
145.10075	4.8
147.08008	1.9
149.09608	2.0
151.03842	1.9
157.09967	1.3
158.07207	1.4
159.07977	2.0
159.11636	4.6
160.34464	1.2
161.09581	2.3
163.05968	27.3
165.09106	1.2
173.13217	2.0
175.07561	1.8
175.11195	1.2
181.04880	5.1
183.11655	1.3
187.05911	1.8
187.11151	4.5
189.09158	1.8
193.08507	1.3
199.10989	4.4
203.10541	1.3
205.06972	2.6
207.40062	1.1
219.13977	1.4
227.10188	1.8
229.12186	4.5
245.94208	1.3
247.13272	8.2
265.14371	12.8
271.08136	4.5
307.10126	5.5
317.71387	1.0
396.45413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63644	0.8
53.71827	0.6
55.75422	0.6
56.04972	1.5
59.35906	0.7
62.54912	0.7
69.06966	1.0
70.06516	1.9
76.73386	0.8
84.04421	37.3
85.02828	1.7
85.70850	0.9
86.09615	3.9
91.05421	2.0
93.06982	1.2
102.05504	1.2
103.05397	8.5
106.71825	0.9
107.04895	1.8
107.08564	0.9
120.08052	100.0
121.08390	5.1
126.52175	0.8
129.10159	1.0
130.04982	11.5
130.06465	4.1
131.04909	4.2
131.06891	1.1
133.10104	1.2
137.09581	1.2
149.06042	1.3
158.09659	0.9
159.09067	1.1
166.08594	17.5
167.08130	1.1
168.06740	1.1
168.08133	4.4
177.28963	0.9
184.07510	3.9
185.10721	8.2
186.09087	40.4
186.10754	1.7
223.07048	1.2
231.11227	6.1
232.09657	5.7
241.08086	1.8
259.06223	0.9
277.11652	0.9
305.33258	0.9
342.14584	3.3
360.15457	5.1
388.14728	4.2
406.15982	8.5
447.66409	0.9
553.22766	13.4
554.21521	1.0
571.24115	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	571.2397
Annotation	TMC 2A
Peak:m/z	Relative Intensity
54.66905	0.2
55.01804	0.2
56.04973	2.3
62.09008	0.2
65.03832	0.2
70.06493	0.9
78.63969	0.2
79.05391	1.1
81.04438	0.2
82.05245	0.2
84.04425	38.9
85.02834	0.4
85.04757	0.3
91.05405	2.0
93.06966	1.4
95.01243	0.2
102.05466	0.8
103.05398	8.3
104.71798	0.2
106.61530	0.2
107.04892	2.7
118.06464	0.8
120.08055	100.0
121.08398	1.7
122.05968	0.3
128.57349	0.2
129.06577	0.3
130.04965	9.8
130.06516	1.3
131.04893	4.6
141.06996	0.2
143.07318	0.4
143.50307	0.2
149.06015	1.5
158.09615	1.3
160.07463	0.3
166.08603	14.2
167.08109	1.3
168.06551	0.7
168.08012	4.3
184.07561	2.4
185.10699	8.7
186.09103	45.5
187.09431	1.1
188.35751	0.2
195.07646	1.4
200.02005	0.2
204.10161	1.2
213.08551	0.3
214.08723	0.3
216.86794	0.2
223.07059	2.6
231.11238	6.0
232.09644	4.7
241.08174	2.7
249.12448	0.2
277.11661	2.0
295.12939	1.9
338.05054	0.3
342.14471	2.8
360.15454	6.4
370.13998	0.4
388.15012	3.4
406.10492	0.3
406.15967	7.7
407.15018	0.4
535.21655	0.3
553.22754	12.3
554.21490	1.1
571.23804	7.6
572.23608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	13.3
65.03862	7.0
67.05430	2.9
69.03344	1.3
69.06973	0.9
70.06504	3.6
72.08067	1.4
73.02122	0.6
79.05383	0.7
82.04121	2.9
83.04438	1.1
83.04900	24.8
84.04433	1.2
84.08057	3.0
85.02814	4.9
86.09618	2.4
93.03352	1.2
95.04899	1.2
97.06463	3.5
102.13345	0.6
105.06947	0.6
108.02052	1.1
109.34622	0.6
110.03616	4.6
110.07116	1.4
110.37448	0.6
111.04389	2.7
125.05930	3.5
129.10168	0.9
138.03067	2.6
142.02579	1.1
171.06471	10.9
181.04921	100.0
184.07361	1.1
199.56061	0.6
210.73935	0.7
257.06549	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14723	0.9
52.01563	1.0
53.00256	1.0
55.01813	15.9
55.05458	10.5
56.04973	1.9
57.03377	31.4
59.04934	2.3
60.09858	1.3
61.02860	15.5
61.45906	1.1
62.98170	1.0
65.20560	1.1
67.05442	4.7
69.03352	56.7
69.06989	25.8
70.06511	23.4
71.01282	6.5
71.04931	4.1
72.08081	2.5
73.02832	92.5
77.17883	1.1
79.05398	1.8
80.96397	1.1
81.03349	9.3
81.06974	6.5
83.04910	5.3
84.04451	9.5
84.08066	11.4
85.02831	80.1
86.09630	5.0
87.04391	8.9
91.03897	1.6
91.05408	2.7
92.04915	2.0
93.06987	2.9
95.04913	2.4
95.08543	2.1
97.02825	100.0
99.04388	5.9
102.05462	2.6
103.03896	5.5
105.06952	1.3
107.08549	1.8
109.02823	10.1
109.06471	1.3
109.10123	2.8
110.07121	2.9
111.04400	2.8
111.11681	5.2
112.08646	1.6
115.03885	41.9
119.08554	1.5
120.04428	22.1
121.04758	9.3
121.10095	1.3
127.03882	27.3
129.10208	4.8
133.04942	33.4
133.10170	1.2
136.07504	1.1
139.03882	2.6
140.07162	1.5
143.03308	1.5
145.04944	18.5
151.03981	1.4
157.04958	4.5
160.09114	1.2
163.06027	5.0
169.04945	4.3
178.57845	1.3
193.05019	1.3
207.63876	1.1
211.06003	10.4
217.06984	1.4
223.05968	1.6
229.07005	5.4
241.06972	4.9
243.06422	1.2
243.15849	1.4
247.08046	5.8
259.08127	9.8
265.09171	10.4
295.10245	11.6
323.10223	2.1
571.37744	1.9
572.38403	2.4
573.25238	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	1.4
55.01821	13.6
55.05441	9.2
56.04969	3.0
57.03135	2.0
57.03374	33.6
59.04926	1.9
60.09138	1.2
61.02855	23.0
67.05431	2.9
69.03350	68.4
69.06989	30.6
70.06150	1.7
70.06507	35.3
71.01255	8.5
71.04895	2.9
72.03432	1.6
72.08063	6.6
73.02829	100.0
79.05404	2.8
81.03345	12.0
81.06963	6.1
83.04885	3.3
84.04459	17.2
84.08073	22.5
85.02829	94.1
86.09615	3.6
87.04383	9.2
91.03873	1.8
91.05409	2.4
93.06965	3.6
95.04861	2.0
95.08547	2.9
97.02824	97.0
99.04368	7.3
101.02314	1.7
101.07082	3.0
102.05455	3.4
103.03864	7.9
104.34292	1.5
105.06997	2.2
107.04919	2.0
107.08524	2.0
109.02819	8.3
109.06528	1.7
109.10101	3.2
110.07101	9.5
111.11639	8.5
112.08688	2.9
115.03882	49.5
115.08644	3.0
119.08533	2.7
120.04414	23.0
120.08012	2.0
121.04738	7.3
127.03869	31.8
129.10185	10.4
133.04932	40.7
133.10068	3.0
135.11630	1.5
136.07553	2.6
145.04929	20.4
157.04938	1.6
163.05977	7.4
165.09021	1.9
169.04877	5.6
181.04800	1.7
193.04990	1.8
211.05992	14.7
220.91081	1.5
223.05997	3.2
229.07005	10.2
241.07056	7.0
243.15819	1.9
247.08083	6.6
259.08090	15.6
265.09195	15.3
277.09216	2.4
295.10172	15.5
315.77884	1.5
389.00369	1.6
516.07544	2.1
571.37756	9.7
572.38373	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	572.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10403	2.6
55.05447	5.1
57.07013	44.9
67.05431	4.2
71.08553	39.6
73.06448	6.0
75.22882	2.8
81.06973	5.2
83.08535	5.7
85.10120	27.1
86.09626	14.6
87.04376	5.6
89.05956	100.0
91.05351	4.1
98.98391	3.1
107.06963	3.4
125.00005	4.4
133.08577	37.6
147.34705	2.9
147.38347	3.3
177.11188	7.3
184.07300	23.0
203.84433	3.4
221.13918	3.7
229.21657	4.1
234.97304	2.8
313.27347	7.0
525.14661	3.3
552.87604	4.1
555.40485	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3036
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
52.55897	0.4
53.00249	0.5
55.05452	6.0
56.38618	0.4
57.03105	0.5
57.03374	11.5
57.07013	50.5
58.07344	0.6
59.37082	0.5
64.33083	0.4
64.66473	0.4
67.05428	9.3
68.30901	0.4
69.06986	8.2
71.08549	32.1
75.04394	0.5
79.05388	0.6
79.13075	0.4
81.03339	6.8
81.06977	12.6
83.04901	0.5
83.08542	7.8
85.02824	0.9
85.06496	0.6
85.10108	17.5
86.09621	0.7
89.05963	1.0
93.06953	0.5
95.08533	17.6
97.10111	5.0
98.98402	49.0
99.04408	0.7
103.07533	0.5
107.08558	0.5
109.02842	5.4
109.10112	8.7
111.11742	0.5
116.99466	2.0
123.11644	3.4
124.99974	0.6
137.13214	0.5
155.01021	24.6
155.02299	0.8
155.69531	0.4
173.02037	1.9
184.07262	0.9
239.23689	3.2
261.03601	2.3
269.29681	0.5
273.43347	0.6
287.00900	0.5
313.27319	100.0
314.27679	4.8
317.06223	2.9
335.07303	2.5
393.24020	3.9
401.28937	2.3
520.54486	0.5
537.27924	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	573.3532
Annotation	dolichyl-4-D-xylosyl phosphate
Peak:m/z	Relative Intensity
50.56868	1.1
53.00256	1.7
54.28890	1.1
54.90915	1.2
55.05451	5.5
56.04954	2.2
57.06999	6.8
62.89010	1.3
67.05424	17.3
68.84069	1.3
69.06988	3.7
69.80000	1.4
71.08529	2.2
79.05405	6.8
81.06978	14.6
83.08524	2.8
84.04424	57.6
85.10075	2.3
86.09615	10.7
91.05402	24.7
92.10323	1.7
93.06951	3.5
95.04893	8.4
95.08533	11.9
98.98396	2.5
102.05451	1.8
104.10641	2.3
105.06976	3.0
109.10101	3.5
119.04889	32.8
123.04375	40.2
124.99962	6.3
130.04053	2.6
130.04961	44.1
133.10117	1.8
136.07552	100.0
147.04384	17.4
165.05449	43.1
182.08069	28.5
184.07324	18.6
197.49667	1.5
201.10210	3.1
202.08588	45.6
224.80379	1.8
247.10742	6.2
248.09090	19.7
293.11246	14.2
294.09488	2.7
311.12283	16.0
313.27313	7.4
527.34528	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	574.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90973	3.7
53.00231	4.1
53.71112	4.3
55.01813	16.0
55.05441	16.6
57.03369	6.6
57.07011	48.0
67.05424	50.9
69.06981	20.3
71.08542	35.5
76.55887	3.9
79.05412	25.9
81.06976	38.1
83.04913	42.6
83.08535	10.7
85.10104	6.2
91.05441	6.7
93.06975	35.6
95.04865	6.2
95.08533	28.6
95.96587	4.1
97.06465	9.5
105.06946	4.9
107.08527	19.6
109.10135	10.1
111.04392	100.0
111.08044	31.5
119.08510	5.0
121.10104	10.2
131.08527	7.1
135.11650	29.7
145.10107	27.1
153.12723	36.2
160.26251	4.5
163.11137	35.4
173.09567	4.7
181.12148	47.1
191.10661	22.4
218.90652	3.9
227.12764	35.9
283.15317	46.7
301.16434	25.9
313.27383	42.1
539.39233	84.1
575.39618	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	5.1
55.01799	20.4
55.05446	25.6
57.03360	25.8
57.06769	5.1
57.07011	84.8
67.05428	92.3
69.06973	27.4
71.08553	54.1
79.05410	70.8
79.50267	3.7
81.03324	18.1
81.06981	95.1
83.04903	53.7
83.08530	26.4
85.10099	23.2
91.05396	32.7
93.06969	72.6
95.04881	27.7
95.08539	56.4
97.06467	10.2
97.10123	4.4
105.06969	19.4
107.04894	45.2
107.08540	36.5
109.06446	6.3
109.10098	25.1
109.92023	5.4
111.04398	54.7
111.08036	19.2
117.06976	25.1
119.08505	23.2
121.10100	65.9
131.08527	17.4
135.11664	49.1
145.06473	10.3
145.10117	59.0
147.08028	5.6
149.09639	5.5
153.12746	19.4
155.08513	8.1
163.11150	81.3
173.09615	42.3
181.12222	33.8
187.09338	4.6
191.10631	24.4
209.11742	5.0
227.12662	27.5
238.74837	5.2
265.14294	58.7
283.15359	100.0
301.16391	75.0
313.27328	70.1
328.81485	4.6
378.93903	5.1
521.38367	34.4
539.39471	39.9
574.49005	6.8
575.41034	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	574.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	4.5
55.01805	19.9
55.05444	23.3
57.03354	16.2
57.07017	71.8
57.57895	3.1
58.61841	3.4
67.05428	97.0
68.33781	3.3
69.06998	27.1
70.01289	3.3
71.08544	42.2
79.05418	66.2
81.03322	8.4
81.06978	75.0
82.38869	4.5
83.04893	42.6
83.08530	9.0
84.40935	3.7
85.06483	4.4
85.10094	30.2
89.43735	3.5
91.05418	39.2
93.06977	71.5
93.81561	3.5
94.18546	3.4
95.04893	20.2
95.08533	66.2
97.06435	9.0
97.10072	5.3
105.06947	20.6
107.04917	43.6
107.08524	23.2
109.06483	5.3
109.10086	23.6
111.04384	57.5
111.08021	14.9
117.06940	20.4
119.08518	21.3
121.06446	6.2
121.10109	55.4
123.11668	4.6
129.06931	4.4
131.08517	6.6
135.11653	47.8
145.06473	14.1
145.10115	44.2
147.11668	3.9
149.09537	7.8
153.12688	15.8
155.08496	18.8
163.11153	53.4
173.09566	27.5
181.12148	33.2
191.10632	21.6
209.11551	4.4
227.12581	7.7
244.40617	3.9
265.14325	63.7
267.15747	4.8
283.15338	75.8
301.16425	8.7
313.27414	26.9
316.74081	4.4
385.01129	4.1
491.75159	5.4
521.38470	52.0
539.39258	100.0
573.48529	4.9
574.48376	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	575.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86865	0.8
53.64172	0.7
55.01814	1.1
63.51396	0.7
69.06972	1.9
73.65083	0.8
81.06952	1.5
85.02811	1.3
88.75406	0.9
92.10924	4.6
111.25183	1.0
122.05974	2.4
124.71865	1.0
127.03883	1.9
135.06787	3.6
140.07042	1.9
144.79987	1.0
149.13423	1.0
211.08531	1.3
225.10252	8.8
226.10950	4.4
230.57486	1.3
238.11095	6.8
239.08040	1.9
239.11693	1.6
241.09512	1.1
252.08873	5.5
253.09651	88.9
254.10451	45.7
255.11134	4.8
265.09592	5.4
266.10446	23.6
267.11230	39.6
268.11984	24.1
272.11322	1.2
278.10526	1.2
293.08987	1.4
294.09937	7.6
295.10721	100.0
296.11484	56.5
297.11850	1.4
311.10266	2.3
312.10986	24.1
313.11761	61.2
346.15439	1.3
392.16013	4.3
394.17444	4.8
417.17313	2.8
434.17300	1.3
436.18524	38.2
436.24435	1.6
452.18076	24.9
453.18570	4.1
454.19614	6.0
557.24139	8.4
575.24896	45.3
576.25317	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	576.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43158	0.3
55.05438	0.5
56.96501	6.7
60.08092	0.6
67.05431	1.4
69.06976	0.4
71.07270	0.4
71.95184	0.5
76.02137	0.5
81.06977	1.3
84.31546	0.3
85.22451	0.3
86.09621	4.7
87.09989	0.5
91.05408	0.4
92.10916	0.5
95.08580	0.4
102.92549	3.0
107.79143	0.4
124.99989	3.3
128.98604	0.4
132.08189	0.4
136.93068	2.6
146.99619	1.5
149.02306	5.8
154.94138	16.5
158.02687	0.5
161.01164	0.4
172.95190	63.1
179.97311	0.6
184.07304	9.2
185.07695	0.8
190.96243	50.3
192.95715	0.8
193.04935	2.5
195.96820	2.7
197.98369	6.5
208.97334	2.2
210.96759	12.5
212.96516	0.4
212.98384	1.9
213.97871	2.5
215.99411	6.9
216.97768	0.7
228.97806	33.9
230.99380	2.3
233.98436	0.6
246.98824	6.6
251.99352	1.5
254.01012	0.5
257.10626	0.5
283.44540	0.4
319.19305	8.1
335.18915	1.9
337.20422	24.6
338.20755	0.7
355.21542	0.7
360.22095	0.5
399.16132	2.3
417.16968	1.7
427.18701	0.4
455.18542	13.6
456.18732	0.5
460.95792	0.5
473.19672	100.0
474.19977	5.6
496.21341	3.4
516.23785	6.0
577.13007	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	577.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52813	0.7
55.05462	1.0
56.96502	9.0
60.08092	0.9
65.03856	1.8
67.05434	1.3
70.97609	0.6
76.32062	0.6
81.06977	1.2
86.09641	4.7
92.10952	2.0
102.92542	3.1
120.93628	0.9
121.02846	3.0
123.42471	0.8
124.99937	3.1
133.76640	0.8
136.93117	3.5
139.03871	0.9
146.99721	1.1
149.02332	41.5
149.03430	3.2
154.94141	18.6
172.95203	89.7
179.97345	0.8
184.07278	10.5
190.96251	77.8
193.04935	18.3
195.96800	3.0
197.98386	9.7
198.96767	0.9
208.97366	1.1
210.96761	15.2
211.96823	0.7
212.98286	1.3
213.97823	1.6
215.99390	11.1
216.97980	1.2
219.06538	1.3
228.97806	47.2
229.98091	1.4
230.99400	2.8
246.98811	9.6
251.99345	1.5
319.19366	6.3
320.19760	2.8
335.19006	1.0
336.19095	1.0
337.20444	25.1
338.20792	10.6
341.06543	1.0
360.21866	1.0
385.08969	3.1
399.15836	1.6
417.16986	1.4
455.18451	12.7
456.18918	6.8
473.19684	100.0
474.20041	54.0
474.26932	1.8
496.21170	3.3
516.23792	4.7
517.24060	3.5
577.13293	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	577.1551
Annotation	Apigenin 7-[6'-(3-Hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
53.03882	0.4
53.92131	0.1
55.01804	0.1
57.03375	0.1
61.02870	0.1
65.03876	0.2
67.01773	0.2
68.99699	0.5
69.03345	1.4
71.04886	0.2
73.02807	0.2
81.03337	1.5
85.02822	2.9
91.05399	1.2
92.10833	0.1
97.02820	2.1
97.95357	0.1
99.04379	2.7
100.11166	0.2
102.36104	0.1
103.03886	2.1
107.04911	0.2
109.02826	1.5
111.00732	0.2
119.04877	0.9
121.02812	0.9
127.03876	3.6
131.04904	0.1
131.08493	0.1
141.06947	0.6
145.02835	1.2
145.04941	1.4
145.06441	0.2
147.04361	0.2
147.08070	0.4
149.02316	5.6
149.72507	0.1
153.01797	6.9
159.04379	1.0
163.05989	0.2
165.01810	0.6
169.06465	1.3
173.05910	0.6
187.03891	0.4
187.05980	0.4
187.07544	0.5
197.05925	1.5
197.10147	0.1
201.05377	0.2
203.07019	0.1
215.06995	9.5
216.07332	0.2
221.65709	0.1
223.07872	0.1
225.05507	0.9
228.37874	0.1
229.04985	0.3
241.09180	0.2
243.06458	4.4
253.04886	2.1
271.05948	100.0
272.06259	4.9
286.07813	0.1
287.07977	0.1
313.07047	0.4
577.18982	3.7
578.19110	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	577.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00258	0.4
53.03881	1.0
55.01808	0.9
55.05445	4.3
57.03366	0.7
57.07015	1.5
59.04925	0.7
65.03847	0.8
67.05435	4.9
68.04963	0.4
68.99706	0.6
69.03348	7.1
69.06971	1.8
69.67799	0.3
70.06506	3.0
71.04909	0.6
72.08044	0.6
72.52949	0.3
79.05412	7.6
81.03321	2.6
81.06979	3.0
83.04899	25.4
83.08531	1.0
84.04443	2.2
84.08070	4.1
85.02837	2.5
85.06464	2.3
86.09621	1.8
86.58607	0.4
91.05405	12.6
92.10300	0.5
93.06969	14.0
95.04906	4.2
95.08531	2.4
97.02833	1.6
97.06480	0.5
99.04376	0.5
105.06965	10.4
107.04913	0.8
107.08538	62.0
108.08839	0.6
109.02820	2.0
109.06452	5.3
109.10104	1.7
110.07116	2.0
111.04378	0.6
111.08018	2.5
113.05956	2.1
115.05399	3.4
117.06966	8.0
119.04881	0.4
119.06026	0.5
119.08537	10.2
120.08028	0.7
121.06458	25.4
121.10100	3.5
123.04311	0.4
123.08021	1.6
125.05952	0.5
125.09550	0.7
127.03870	0.9
127.07523	4.0
128.06229	0.5
129.06955	0.8
129.10187	1.7
131.08530	6.1
133.10118	5.1
135.08022	100.0
136.08388	0.5
137.05954	0.8
137.09569	0.9
139.07454	0.4
139.15559	0.5
140.54807	0.4
141.05403	0.5
141.06927	0.4
143.08563	3.0
144.09367	3.1
145.06464	5.8
145.10101	3.9
147.08022	5.7
147.11734	0.6
149.05977	1.9
149.09587	1.8
149.13161	0.4
151.03911	13.3
151.05040	2.1
151.07562	0.6
153.09082	1.8
155.08485	0.7
157.10126	2.1
158.10913	2.9
159.08040	5.5
159.11655	11.7
160.08823	0.7
161.09599	6.1
161.13174	2.9
163.07509	27.2
163.11139	0.9
164.07851	0.4
170.10931	0.7
171.11609	0.7
172.08798	3.1
173.05954	2.3
173.09579	1.7
173.13194	8.6
175.07747	0.4
175.14847	0.6
177.09018	0.5
177.12677	3.9
183.11713	0.6
184.07368	0.5
185.13223	0.6
186.10336	4.3
187.11142	13.0
189.09081	0.9
189.12729	2.6
191.06937	2.0
191.14297	0.9
201.12694	9.5
203.14273	4.9
205.12216	15.4
209.08127	0.7
211.11052	0.4
219.13768	29.8
220.14099	0.6
226.21199	0.5
229.12199	12.1
247.13231	18.1
265.14319	0.8
271.05896	4.8
337.10327	0.6
391.17383	0.8
409.18475	0.8
428.92551	0.4
473.89758	0.4
475.07706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01793	1.4
56.04972	0.7
57.03379	2.2
58.57999	0.2
59.04929	0.2
61.02853	0.2
69.03355	1.0
71.01260	0.2
73.02826	1.4
84.04425	16.0
84.08083	0.4
85.02832	1.4
91.05405	3.4
95.04893	1.2
96.85678	0.2
97.02814	0.7
102.05467	0.2
103.05418	0.2
115.03891	0.7
119.03548	0.3
119.04896	8.3
121.06458	0.3
123.03474	0.4
123.04382	12.0
130.04970	2.8
133.04944	0.7
136.06171	100.0
136.07541	22.5
137.04575	0.3
137.06497	1.2
137.07779	0.5
147.04378	5.8
153.04066	0.4
162.01328	0.2
165.05435	17.5
165.38988	0.2
167.06952	0.4
182.08090	10.7
194.97777	0.2
202.08604	3.8
223.04170	2.5
248.09134	1.6
268.10339	23.8
269.10760	0.2
294.09558	1.8
311.12323	14.3
312.12677	0.4
323.31989	0.2
337.30441	0.2
403.22153	0.2
469.51025	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	578.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19803	0.7
51.70436	0.7
54.37585	0.8
57.07009	4.9
58.06520	1.4
60.08081	9.4
68.86775	1.0
71.07283	6.1
81.06989	0.9
84.74119	0.9
86.09624	27.2
95.08548	1.5
102.09100	1.3
104.10673	100.0
124.99949	4.8
129.22456	1.0
163.01425	1.3
165.14822	1.0
172.95181	5.9
174.98543	5.0
182.98985	10.0
184.07298	6.0
190.96259	4.7
197.98351	1.6
201.00084	24.4
212.99936	1.4
216.99664	1.1
221.05624	1.0
228.97694	1.5
239.01547	6.8
243.01123	5.5
255.00813	1.0
284.07260	2.1
300.32425	1.0
339.22247	1.0
344.07596	1.2
439.78427	1.0
475.21262	4.6
532.88904	1.1
578.32825	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	579.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44738	0.2
51.02321	0.2
53.03895	0.2
62.70057	0.2
62.70417	0.2
63.02301	1.1
64.20370	0.2
65.03857	0.5
67.05408	0.3
70.06513	0.4
71.04913	0.4
78.04615	1.1
79.05396	1.2
79.58658	0.3
84.04424	0.4
84.08067	0.4
85.02810	0.6
89.03836	23.7
90.04173	0.3
91.05398	1.8
95.04890	1.6
103.05429	0.5
105.06993	0.3
106.04116	2.1
107.04917	0.4
108.02048	0.4
116.53453	0.3
117.03328	52.0
118.03645	0.5
118.20152	0.3
119.04895	0.5
119.08523	0.6
121.06442	0.4
124.05164	0.6
125.68814	0.3
129.04442	0.3
133.10100	0.6
134.03595	5.4
135.04388	5.3
137.02264	0.6
141.05511	0.3
143.08475	0.3
145.02818	100.0
146.03185	1.3
149.05948	19.2
151.03888	12.8
151.04996	1.4
159.08022	0.4
161.09575	1.6
162.03120	0.4
163.03896	1.2
171.07875	0.4
177.05431	95.6
178.05765	1.7
186.05501	1.3
189.09094	0.7
271.05869	4.7
329.12161	0.5
537.29449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40359	0.2
55.01821	0.3
56.23145	0.2
62.01506	0.2
63.02314	1.0
65.03860	0.4
67.05437	0.5
69.03361	0.4
70.06509	1.8
71.04885	0.2
72.08060	0.3
78.04632	2.1
79.05405	0.2
81.03317	0.8
84.04431	1.1
84.08064	1.4
85.02829	0.5
86.09625	0.2
89.03837	21.1
91.05400	2.1
93.06960	0.4
94.62366	0.2
95.04900	1.7
95.08555	0.9
97.02819	0.4
102.05479	0.2
103.05405	0.9
105.03333	0.4
105.06954	0.4
106.04123	1.6
107.04884	0.3
108.02055	0.8
109.02824	0.9
110.07120	0.3
111.04366	0.3
117.03326	52.7
118.03632	1.0
119.04897	1.3
119.08540	0.3
120.08066	0.3
121.06454	0.3
124.05154	1.2
126.05454	0.3
127.03884	1.3
128.04231	0.3
129.04411	0.3
129.10190	0.3
134.03587	4.8
135.04393	5.0
136.07555	0.4
138.05478	1.2
141.05478	1.4
144.06497	0.3
145.02821	100.0
146.03120	2.2
147.04366	0.4
149.05956	18.5
150.06259	0.3
151.03880	21.1
151.04993	2.0
152.04242	0.3
158.02718	0.3
158.05959	0.3
161.09502	0.2
163.03867	1.5
165.05328	0.3
168.06567	0.2
177.05432	99.7
178.05792	2.2
181.04898	0.3
186.05408	1.9
195.37531	0.2
204.08623	0.4
255.06340	0.2
271.05566	0.3
341.24933	0.3
433.10056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	0.4
55.01824	0.4
56.04974	0.4
61.02829	0.2
62.01514	0.2
63.02294	0.4
65.03876	0.5
67.05421	0.5
69.03355	0.4
70.06513	4.1
71.04898	0.4
72.08074	0.2
72.29189	0.2
78.04630	1.5
79.05398	0.3
80.07156	0.2
82.09797	0.2
83.06028	0.3
84.04098	0.2
84.04434	2.9
84.08077	2.2
85.02837	2.3
86.09631	0.9
89.03841	20.9
91.05405	2.4
92.10869	0.2
93.07000	0.3
95.04893	1.3
97.02796	0.3
100.90135	0.3
101.07040	0.3
103.05397	1.0
106.04118	1.7
107.04884	0.3
108.02035	0.4
109.02843	0.3
110.07115	1.2
111.04375	0.4
113.03502	0.2
117.03331	54.8
118.03703	0.3
119.04865	1.0
121.02808	0.9
124.05177	1.2
127.03838	0.5
129.10202	0.9
134.03589	3.9
135.04378	5.2
137.02271	0.3
141.05428	1.1
145.02827	100.0
146.03125	1.7
147.04411	0.5
149.05962	20.4
151.03891	20.6
151.04988	1.6
158.05994	0.4
161.09607	0.3
162.03079	0.4
163.03862	1.0
175.03851	0.3
177.05437	96.0
178.05768	1.4
181.04970	0.5
186.05475	1.3
207.06511	0.4
271.05954	14.7
284.10098	0.3
285.07507	1.0
414.50903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	10.3
53.93217	0.7
55.01809	1.6
55.05452	5.1
56.04977	1.1
56.05235	0.7
57.03379	7.0
59.04937	0.9
61.02855	4.2
67.05425	5.1
68.99739	0.9
69.03349	22.2
69.06989	1.1
70.06509	32.5
71.04907	9.1
72.08070	16.4
73.02829	5.8
74.05997	3.7
79.05410	3.8
81.03339	30.5
81.06992	4.3
82.02863	1.0
83.04901	5.2
84.04439	5.1
84.08065	12.6
85.02828	63.5
86.09637	7.0
87.04400	1.7
91.05412	6.8
93.06989	6.3
95.04888	2.0
95.08533	5.1
97.02826	46.2
99.04395	60.0
103.03882	56.7
104.20889	0.9
105.06982	1.6
107.04887	1.7
107.08551	5.2
109.02839	28.6
109.10107	4.2
110.07107	3.8
112.08678	1.6
115.08672	1.3
117.06876	0.9
117.09135	3.4
118.08595	5.5
119.04913	10.7
119.08512	1.5
120.08048	1.4
121.06451	1.8
121.10055	1.7
123.04382	3.9
123.11646	1.0
127.03882	80.0
129.10178	3.1
130.06532	3.8
131.08601	0.9
132.08051	2.1
133.10117	1.3
135.08032	5.2
135.11691	1.8
136.07556	3.7
145.02818	1.2
145.04950	24.9
146.05963	1.6
147.04396	44.6
148.04678	2.0
149.09566	1.2
149.13243	1.1
151.03926	1.4
153.01804	97.1
159.09158	7.1
163.06030	8.5
163.07199	1.2
168.65788	0.9
169.07593	6.0
170.06039	1.3
171.02827	10.0
173.09520	0.9
177.01802	1.9
179.03387	1.4
183.02888	1.4
187.05930	3.6
191.03441	1.8
195.02849	26.0
208.31992	1.1
215.03284	1.1
219.02850	3.9
233.12874	3.9
243.02998	1.1
261.03796	4.4
271.08102	4.6
273.07510	100.0
274.07944	3.5
275.05963	0.9
277.21646	2.0
279.04871	1.4
295.22647	1.7
297.07455	3.2
301.15384	1.1
315.08524	9.3
322.52234	1.0
339.08408	2.3
363.08713	1.5
381.09671	3.7
399.10895	1.3
433.56326	1.0
511.79532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1702
Annotation	Prunetin 4'-O-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside]
Peak:m/z	Relative Intensity
50.36911	0.1
50.73641	0.1
55.01794	0.1
56.04943	0.1
60.59732	0.1
63.33336	0.1
64.33120	0.1
64.43568	0.1
68.99696	0.1
69.03298	0.1
70.06511	1.1
72.08040	0.1
84.04427	0.6
84.08073	0.7
84.08451	0.1
85.02821	0.2
86.01902	0.1
86.09582	0.4
87.04398	0.1
89.03803	0.5
91.05356	0.4
97.59756	0.1
103.75018	0.1
106.04040	0.1
110.07064	0.3
111.04314	0.1
117.03320	0.9
118.04064	0.4
119.04854	0.4
120.07990	0.1
125.02253	0.1
125.15971	0.1
129.06541	0.1
129.10161	0.1
133.02727	0.1
134.03590	0.2
137.02269	0.4
139.03867	0.3
141.06921	0.4
142.82698	0.1
144.00340	0.1
145.02826	2.3
147.04399	0.3
149.05933	0.4
151.03853	0.4
152.00984	0.5
157.06465	0.1
161.02261	0.1
163.03856	0.2
167.03412	0.9
168.05667	0.6
169.06421	1.4
170.06760	0.1
177.05408	1.4
181.04893	0.4
181.06375	0.1
186.06738	0.1
187.10593	0.1
188.93027	0.1
196.05193	0.9
197.05927	3.1
199.07474	0.5
207.06570	0.1
211.07375	0.1
213.05412	0.4
214.06245	0.7
225.03217	0.2
225.05426	4.5
226.06049	0.5
227.06813	0.1
229.08575	4.2
237.05376	0.1
239.07051	0.1
241.04895	0.1
242.05692	6.2
253.04802	0.4
254.05630	0.3
255.06461	4.6
256.06674	0.1
257.08093	1.0
267.06467	0.1
269.04367	0.1
270.05170	21.4
271.05615	0.5
285.07516	100.0
286.04721	0.2
286.07861	3.6
306.05698	0.1
447.12946	0.1
497.51715	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	579.1703
Annotation	Prunetin 4'-O-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside]
Peak:m/z	Relative Intensity
54.81804	0.1
55.05440	0.2
57.03363	0.2
65.03858	0.7
67.05428	0.6
68.99727	0.2
69.03346	0.3
69.06969	0.3
70.06188	0.2
70.06509	2.7
71.04911	0.3
72.08052	0.2
74.93445	0.1
79.05417	1.1
81.03335	0.2
83.04864	0.2
84.04415	1.1
84.08055	1.3
85.02814	0.7
86.09618	0.4
89.03804	0.3
91.05408	4.2
92.10825	0.2
93.06961	1.0
95.04919	0.3
97.02780	0.2
97.06477	0.4
99.04420	0.2
102.05448	0.2
103.03918	0.2
104.07021	0.2
105.03354	0.2
105.06983	1.2
107.04890	1.2
107.08557	1.5
108.02061	0.2
110.07132	0.3
111.04327	0.2
117.03304	0.3
117.06993	0.2
118.04086	0.3
119.04893	4.3
119.08511	0.7
121.02826	0.2
121.06467	1.1
121.10102	0.7
125.05901	0.3
127.03853	0.6
129.06915	0.3
129.10191	0.3
130.07674	0.1
131.08528	4.6
133.02809	0.4
137.02310	1.0
137.09680	0.2
139.03831	0.1
139.38751	0.1
141.06947	0.2
145.02805	2.2
145.10081	1.2
147.04376	3.3
149.09573	1.8
151.03781	0.2
152.01015	0.2
153.06987	0.2
155.15697	0.1
157.03979	0.3
163.03897	0.2
163.11172	0.4
164.70406	0.2
167.03322	1.0
168.05687	0.4
169.06468	1.6
171.06552	0.3
175.03868	4.6
176.04176	0.2
177.05434	0.9
179.06960	0.2
181.04913	4.4
181.06412	0.6
182.05287	0.2
186.06801	0.2
191.10660	1.1
191.14249	0.3
196.05133	1.0
197.05946	3.2
199.07541	1.5
207.06494	4.6
209.11649	3.6
209.15236	0.3
214.06233	0.6
225.05386	4.4
226.06027	0.2
227.07047	0.6
229.08562	4.5
237.05261	0.3
239.07140	0.2
241.04814	0.2
242.05682	6.7
255.06447	14.5
256.06821	0.7
257.08063	0.8
267.06339	0.3
270.05151	21.3
271.05624	1.0
285.07504	100.0
286.07867	4.5
297.07462	0.7
593.37097	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	0.9
53.03887	6.8
55.05445	1.5
56.04948	1.1
57.03367	4.1
61.02848	1.8
67.05445	1.5
69.03350	14.5
70.06515	8.3
71.04909	6.9
73.02840	3.9
75.53023	1.2
78.81802	0.9
79.05415	1.0
81.03345	23.1
81.06959	1.2
83.06034	1.2
84.04434	6.4
84.08059	6.1
85.02831	51.6
86.09627	2.5
89.03856	1.9
91.05408	5.1
95.04934	1.6
97.02828	35.0
99.04395	45.4
102.05463	1.2
103.03886	40.1
107.04887	4.1
109.02837	19.8
110.07129	2.0
112.38781	1.1
117.03349	2.3
119.04903	12.3
120.61658	1.0
121.02900	1.4
122.68291	1.2
123.04395	5.4
125.02316	1.1
127.03882	50.8
129.10175	1.6
145.02850	9.2
145.04936	15.0
147.04398	46.7
149.05971	1.3
151.03918	1.8
153.01810	85.2
163.06021	2.5
165.01866	1.8
171.02919	7.9
177.01797	4.2
177.05411	10.6
180.70447	1.0
183.02885	4.8
187.06027	1.3
191.03394	7.2
194.02672	1.1
195.02864	35.1
195.47183	1.0
215.03363	1.1
215.82733	1.2
219.02869	6.8
222.65904	1.1
233.04439	1.8
243.02878	1.6
261.03848	8.2
273.07520	100.0
274.07751	2.2
297.07443	5.1
315.08597	7.9
331.75305	1.1
339.08710	6.0
363.08795	1.3
381.09674	7.7
551.19623	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02302	0.4
53.03860	2.7
53.04089	0.4
55.01790	1.2
55.05423	2.5
56.04938	0.8
56.96486	0.4
57.03352	2.5
61.02826	0.9
66.02770	0.5
67.01780	10.2
67.05402	0.7
68.99691	4.7
69.03345	8.8
69.06976	1.8
70.06504	23.6
71.04890	2.4
72.08032	2.1
73.02811	2.6
74.05984	1.2
74.61398	0.4
79.01733	0.5
79.05375	2.4
81.03329	7.4
81.06955	2.8
82.01311	0.5
82.02821	0.6
82.06530	0.4
83.04882	1.0
84.04406	1.1
84.08071	6.1
85.02348	0.8
85.02821	18.2
86.09629	6.1
87.00747	0.9
89.96761	0.5
91.05392	4.9
93.06963	8.4
94.07279	1.9
95.04869	1.1
95.08518	1.2
97.02821	13.1
98.97541	0.5
99.04382	12.4
99.05457	0.9
103.03868	10.6
103.05402	0.6
104.15043	0.5
105.01797	1.1
105.06956	2.3
107.04884	3.6
107.08562	3.7
108.08807	0.5
109.02824	6.6
109.10071	0.9
109.65026	0.4
110.07058	1.0
111.04359	0.7
112.08665	1.1
114.09121	1.1
115.03839	0.8
115.08653	0.6
116.52625	0.5
116.98598	0.6
117.03304	0.9
119.04881	6.9
119.08497	1.0
120.07993	1.0
121.02797	0.7
121.06451	10.2
121.10093	7.0
122.10443	1.1
123.04337	2.1
125.02274	0.7
127.03863	18.2
128.04211	1.0
129.01773	2.1
129.10141	1.0
130.06464	2.6
132.08038	3.4
132.10168	0.7
133.09982	0.7
135.11627	2.7
136.06657	0.5
136.07532	5.1
144.08040	1.0
145.02815	2.0
145.04938	4.9
145.10165	3.4
146.10431	0.5
147.04384	20.3
147.07948	0.5
151.03864	1.9
153.01794	94.1
154.02100	0.9
158.08298	2.0
159.09126	7.1
162.09978	0.5
163.11125	5.3
164.11427	2.2
169.07567	5.7
170.05885	1.0
171.02843	100.0
172.03171	2.2
177.01762	0.5
177.05458	0.7
179.03381	2.5
181.12144	7.9
182.12567	1.9
183.02866	0.5
185.10306	1.0
187.05893	0.8
191.03421	1.0
195.02875	10.7
209.12813	0.5
215.03304	0.8
219.02812	2.3
231.06520	0.7
233.12807	3.2
237.02690	0.6
255.06335	0.7
261.03931	2.0
261.12183	0.9
268.17554	0.6
271.08102	0.8
273.07495	73.8
274.07846	2.9
278.14951	0.6
297.07483	2.6
315.08591	2.8
339.08499	0.9
381.09680	1.1
399.10455	0.6
520.92969	1.1
578.42255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1712
Annotation	Chrysin 7-gentiobioside
Peak:m/z	Relative Intensity
53.03877	0.2
55.01801	0.4
57.03383	0.9
61.02853	0.8
65.03847	0.1
69.03351	3.4
70.03676	0.1
70.06497	0.4
71.01250	0.1
71.04905	0.2
73.02813	0.4
81.03337	1.0
84.04450	0.1
85.02832	7.0
86.05931	0.1
87.04390	0.5
91.03924	0.1
91.05396	0.5
92.10235	0.2
97.02829	2.0
98.79646	0.1
99.04375	0.5
101.02303	0.2
101.13860	0.1
103.03896	0.1
109.02834	0.9
114.07352	0.1
119.04895	0.4
121.02822	0.2
127.03876	0.9
129.06981	0.4
133.02805	0.5
137.02322	4.6
143.08501	0.1
144.08046	0.2
145.02821	1.2
145.04955	0.2
149.02345	0.2
153.06938	0.7
157.06554	0.7
165.07022	0.1
171.08044	0.8
181.06450	1.1
185.05978	0.1
199.07523	7.4
200.07928	0.2
209.05771	0.3
211.07468	0.1
222.06711	0.1
223.07597	0.4
225.05466	0.2
226.06308	0.1
227.06995	4.0
228.07280	0.1
237.05424	2.3
238.05954	0.2
239.07137	0.7
240.98599	0.1
251.07034	0.2
253.05028	0.1
255.06479	100.0
256.06830	4.8
270.04996	0.1
278.25308	0.1
279.06485	1.1
291.06500	0.2
297.07550	3.5
309.07590	0.2
321.07513	0.4
351.00549	0.1
417.11719	15.7
418.12326	0.7
579.16669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	1.0
56.04976	2.3
57.03375	1.9
58.41642	0.5
58.59772	0.5
60.05587	0.5
69.03344	1.1
70.06506	1.2
71.04897	0.6
73.02814	1.1
81.03338	0.7
84.04428	56.2
84.08064	1.0
85.02834	0.8
85.04744	0.6
91.05412	11.1
95.04890	5.0
99.04390	1.0
102.05486	1.2
103.05390	1.0
107.04896	1.0
117.05436	0.6
119.04900	31.2
120.05261	0.6
120.08067	9.2
121.06461	0.7
123.04388	50.3
126.86702	0.6
130.04962	13.5
136.06174	59.9
136.07552	100.0
137.06654	5.7
137.07880	2.6
147.04385	20.5
153.04056	7.4
154.02419	0.9
165.05441	67.9
166.05757	2.1
166.08614	3.0
182.08087	42.4
183.08429	1.1
202.08612	15.5
203.08809	0.7
223.04185	0.7
224.04482	0.7
248.09120	7.0
268.10336	13.1
269.10608	3.6
294.09637	5.6
295.12787	2.0
311.12332	51.7
312.12662	3.7
477.67603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00214	1.2
53.03873	3.4
55.01796	7.4
55.05439	9.5
57.03354	3.3
57.06995	2.8
60.76660	1.4
61.02839	1.6
64.33105	1.4
65.03853	6.9
66.94831	1.4
67.05424	14.9
69.03011	2.0
69.03347	37.8
69.06977	10.8
70.06179	1.9
70.06505	25.6
71.04898	14.8
72.08035	1.6
77.03835	1.8
79.05035	1.5
79.05410	29.5
79.34743	1.3
81.03338	16.5
81.06966	12.1
81.75939	1.4
82.56746	1.3
83.04897	20.7
83.08539	1.7
84.04425	18.7
84.08051	8.2
85.02827	63.1
85.06467	21.2
86.09607	2.1
87.00759	3.1
87.04406	1.6
89.03850	1.7
91.05403	64.6
92.10838	1.9
92.63869	1.8
93.06431	2.1
93.06966	31.5
95.04881	13.9
95.08511	16.7
97.02818	12.1
97.06439	7.9
99.04368	8.6
102.02331	1.5
103.05392	3.4
105.01777	3.1
105.03341	1.7
105.06267	2.1
105.06967	53.5
107.04896	11.8
107.08526	48.2
107.09207	2.9
107.87667	1.5
109.02814	8.8
109.06446	17.4
109.10100	3.2
110.03606	1.7
110.07098	5.9
111.04383	5.9
111.08019	6.5
112.08655	1.6
113.34356	1.5
116.06196	2.0
116.06993	2.1
117.03227	1.5
117.06947	10.7
119.04191	1.9
119.04899	27.8
119.08525	47.8
120.08028	1.6
121.06448	19.8
121.10095	32.3
123.04337	2.5
123.08014	8.0
123.11628	1.9
125.05904	5.4
125.09573	10.1
127.03870	18.0
128.06158	2.0
129.06956	16.2
130.07739	2.5
131.08527	95.5
133.06471	1.6
133.10085	20.8
135.04381	1.6
135.08015	18.4
135.11581	10.0
137.02296	6.8
143.03313	1.5
143.08527	7.8
145.02806	7.1
145.04926	2.7
145.09009	2.1
145.10101	42.5
147.04396	25.0
147.07996	7.3
147.11641	20.1
149.05905	2.6
149.09592	66.0
149.13205	8.0
150.10306	2.3
151.03868	6.6
151.07549	1.7
153.09102	3.0
155.08424	2.2
157.06430	2.5
157.10045	1.9
158.10869	8.0
159.08040	2.5
159.11636	5.6
161.09558	8.8
163.07500	3.0
163.11102	22.7
163.14738	5.8
165.09058	3.5
165.12717	3.3
167.10612	9.2
169.04944	10.3
169.10066	1.8
171.06421	6.6
171.07878	1.8
173.09586	6.5
173.13208	24.1
175.02504	2.1
175.03868	28.7
175.07494	1.9
175.14738	3.1
176.11957	2.0
177.05370	2.9
179.07008	2.2
181.04926	54.3
181.06425	1.9
182.05168	2.3
191.10641	27.9
191.14259	92.4
192.14648	1.8
193.04871	1.6
193.10179	1.6
199.07481	8.8
203.10588	1.8
203.14339	2.2
207.06471	39.2
209.11723	30.7
209.15303	55.5
221.15349	2.8
222.59567	1.4
223.06491	1.5
227.06938	3.1
227.12682	18.1
255.06456	100.0
256.06738	9.7
317.13684	1.8
329.64957	1.7
335.18433	6.1
353.15408	2.9
353.19482	41.3
399.25116	2.7
417.26013	7.1
427.12634	2.0
561.29974	5.8
579.31439	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	579.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	1.9
57.07014	4.1
59.23106	1.5
67.05430	2.7
68.36152	1.3
71.08552	2.4
72.04408	1.5
81.06961	1.7
88.02102	1.7
104.42811	1.5
127.74064	1.4
138.66960	1.7
186.33961	1.7
267.12073	13.8
323.14688	3.8
352.64517	1.8
451.43420	1.9
467.37140	2.1
576.99847	1.9
579.38562	100.0
580.39270	3.5
584.98071	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04301	0.9
53.00252	1.5
53.03888	7.5
55.01810	6.0
55.05456	27.2
57.03376	20.4
57.07003	8.4
59.04930	5.1
60.04454	1.1
61.02857	6.7
63.02309	1.5
65.03880	1.3
65.07803	0.9
67.05433	19.4
69.03352	90.8
69.06991	9.7
70.06507	4.9
71.04911	7.1
73.02836	4.6
75.04391	1.4
75.97512	1.0
78.04653	1.0
79.05418	11.8
81.03343	37.6
81.06976	39.9
83.04903	28.7
83.08540	19.4
84.04418	1.6
84.08057	1.7
85.02833	73.0
85.06471	9.3
85.80887	1.0
87.04401	21.5
89.03848	13.7
90.04190	4.2
91.05423	11.8
93.06982	23.7
95.04891	22.4
95.05949	1.1
95.08533	13.0
96.34331	1.1
97.02829	55.1
97.06460	15.4
97.10106	1.7
99.04385	12.3
99.08006	1.8
103.03889	7.0
103.05427	1.3
105.06986	28.0
107.08541	39.0
109.02834	32.0
109.06467	35.5
109.10110	58.3
110.68563	1.0
111.04398	8.2
111.07993	7.6
113.05963	1.5
115.03895	24.8
115.07519	1.9
117.03323	29.0
117.06980	4.0
118.03664	10.5
119.08559	12.1
121.06457	2.3
121.10112	33.2
123.04439	1.6
123.08016	10.8
123.11658	17.2
125.02345	1.3
125.09587	7.5
127.03883	42.6
129.05484	2.5
131.08540	14.2
133.04924	10.1
133.10104	65.7
134.03506	1.4
135.04372	2.3
135.08008	10.0
135.11693	5.0
137.13232	2.6
139.03906	1.2
139.11185	4.7
143.08575	1.7
145.02827	45.2
145.04863	10.3
145.10048	10.7
146.03162	22.7
147.11674	12.0
149.05971	11.6
149.09662	2.1
149.13246	17.4
150.06299	5.2
150.07611	2.1
151.03880	11.5
151.11157	21.5
153.09109	13.4
158.10907	6.3
161.09526	1.3
163.14813	2.4
165.12689	13.2
167.07005	1.3
167.14279	23.5
169.04916	7.3
171.06613	1.4
173.13231	33.2
176.43166	1.1
177.05438	40.3
178.05783	23.2
181.12253	1.8
187.05969	18.9
191.14275	26.0
205.07037	33.1
209.15343	100.0
210.15659	2.1
227.16432	17.9
241.07048	4.5
285.07608	1.5
301.09116	10.9
319.10156	1.4
604.16071	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	17.8
57.03358	4.2
63.60572	1.4
65.03857	1.6
65.43047	1.6
66.79267	1.4
67.05077	2.5
67.05428	71.2
69.03333	7.7
69.06998	11.9
70.06498	2.6
71.04907	3.1
79.05407	12.6
81.03337	3.5
81.06509	3.6
81.06977	100.0
83.08559	14.0
85.02386	1.6
85.02832	12.5
85.06460	6.5
86.09664	2.0
87.00742	2.0
91.05399	6.8
92.64097	1.9
93.06973	17.5
95.04884	1.8
95.08534	99.2
97.02814	3.6
97.10087	7.1
99.04379	2.4
99.08023	2.6
105.07005	3.1
107.08559	10.2
109.02841	3.1
109.10114	53.3
111.08001	1.8
111.11675	1.9
119.08513	7.4
121.10130	13.4
123.11658	19.3
127.03825	2.7
131.08530	6.7
133.10120	7.3
135.11668	9.6
137.13245	3.2
145.10110	3.5
145.69293	1.6
147.11635	7.5
149.13196	2.9
151.14786	2.2
159.11783	1.9
161.13210	6.8
165.12671	2.2
173.13216	3.2
175.46786	1.6
179.14281	2.3
182.75656	1.5
184.07274	1.9
209.15302	2.5
222.35100	1.8
223.17081	1.9
243.21008	3.6
254.05367	1.6
261.22073	8.5
279.23145	51.8
297.24155	19.9
299.88773	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68753	1.6
51.07737	1.7
55.05443	12.7
57.03378	3.3
64.93585	2.1
67.05428	62.7
68.05764	2.6
69.03358	9.0
69.06989	14.4
70.06528	2.4
72.46056	2.0
76.10163	1.9
79.05402	12.9
81.03335	4.5
81.06979	84.5
83.04929	2.1
83.08535	11.9
84.04455	2.5
85.02849	11.6
86.09632	9.2
86.10120	2.0
87.00749	4.5
91.05428	4.5
93.06978	12.9
95.08535	100.0
97.02803	5.7
97.10083	4.9
99.04427	3.7
99.08035	3.1
105.01855	2.9
105.06978	5.5
107.08540	10.0
109.10109	44.5
113.09629	9.1
119.08525	8.8
121.10091	10.4
123.11654	14.0
127.03913	3.5
131.08510	5.3
133.10094	4.7
137.13290	3.5
145.10110	3.6
147.11629	4.9
155.09306	2.2
159.11658	3.2
161.13228	3.0
165.12801	2.3
167.62375	2.6
173.13269	3.7
182.15338	2.3
184.07327	8.8
243.20865	2.7
251.79550	2.2
261.22092	3.7
279.23135	31.5
297.24231	31.6
388.06143	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	581.1866
Annotation	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
Peak:m/z	Relative Intensity
53.00256	0.7
53.03881	0.7
55.01804	0.8
55.05455	2.4
56.04967	1.2
57.03374	17.4
59.04923	0.9
61.02862	1.2
64.73986	0.4
65.03876	0.6
67.05434	0.8
68.99695	0.6
69.03352	5.0
70.06510	10.8
71.01270	0.7
71.04909	98.0
71.19566	0.5
72.08075	0.5
73.02838	3.0
73.39246	0.4
75.04400	4.3
76.02185	0.5
81.03345	1.1
83.01250	0.6
83.04901	5.2
84.04427	5.4
84.08080	4.9
85.02827	100.0
86.03184	0.6
86.09637	1.8
87.04395	2.4
89.03841	2.8
91.05402	3.1
92.63531	0.5
95.04906	2.0
96.33153	0.5
97.02828	3.0
99.04361	0.8
102.05441	1.6
103.03895	0.9
103.05405	0.7
105.03372	0.6
105.06946	0.6
106.04115	0.6
107.04894	2.4
109.02834	0.7
110.07114	2.2
111.04418	3.3
112.08677	0.5
117.03310	6.0
118.03672	1.1
119.04892	7.4
120.08067	1.8
121.02830	1.0
121.06438	0.8
121.10183	0.5
123.04366	2.6
123.45575	0.5
127.03845	3.0
129.05435	19.0
129.10193	1.9
130.06517	0.8
135.04378	2.6
137.02304	7.8
137.09621	0.6
145.02809	10.6
145.04918	1.0
146.03154	3.5
147.04395	37.4
147.06357	5.7
148.04770	0.6
149.05956	1.1
151.03885	3.4
151.04982	0.5
153.01802	62.3
154.02052	0.8
159.09138	1.8
161.09581	0.8
163.03792	0.7
165.01675	0.8
167.06981	0.8
171.02867	4.0
177.01837	0.6
177.05428	9.1
178.05766	4.9
179.05750	0.8
181.04936	7.1
183.02802	2.9
189.05405	0.6
191.03377	2.3
195.02841	11.2
196.55736	0.5
199.71561	0.5
219.02945	4.1
245.04364	0.7
249.03975	0.7
257.08008	11.9
261.03763	0.6
263.05414	2.4
271.06024	0.8
273.07510	84.1
274.07806	3.4
281.06525	0.7
285.07477	2.2
297.07550	0.9
315.08463	2.8
339.08472	3.2
383.10898	1.0
417.11322	0.9
438.58417	0.6
529.28925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	8.8
57.03363	7.0
63.98412	2.8
67.05418	26.9
69.06986	19.7
71.08537	4.9
79.05392	8.4
81.03329	5.7
81.06968	21.2
83.08549	15.4
86.09624	25.2
92.10923	12.9
93.06945	19.4
95.08512	31.6
97.06466	3.5
98.98405	100.0
105.06959	3.7
107.08477	5.3
109.10105	4.7
121.10082	14.4
124.99940	8.5
155.01027	67.1
184.07281	38.2
287.05847	3.9
339.28833	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	584.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51842	0.2
55.01805	0.2
56.04980	0.2
61.91030	0.2
63.02336	0.3
65.03863	1.7
67.05422	0.3
67.44807	0.2
67.62912	0.2
68.31361	0.2
68.61465	0.2
69.03339	0.8
70.06512	3.7
72.08080	0.4
76.09109	0.2
78.04624	0.3
81.03325	0.2
82.04102	0.4
84.04446	1.5
84.08067	1.4
85.02824	1.3
86.09660	0.3
86.14822	0.2
89.03837	10.1
91.05401	4.1
95.04907	1.0
97.06452	0.3
100.00950	0.2
103.05383	0.4
106.04125	0.4
106.83755	0.2
107.04890	0.9
108.02027	0.3
110.03584	0.3
110.07136	1.5
110.95871	0.2
111.04355	0.3
113.66800	0.2
117.03330	38.2
118.03637	0.4
119.04895	4.8
121.06468	0.4
124.05174	0.4
125.05948	0.3
129.04471	0.2
129.10188	0.4
134.03606	3.0
135.04401	3.7
136.07556	0.5
138.03091	0.2
145.02827	87.4
146.03134	2.2
147.04391	5.4
148.56107	0.3
149.02359	0.2
149.05962	15.4
150.06395	0.3
151.03911	2.4
151.04921	0.3
152.04234	0.4
153.72629	0.2
157.03947	0.4
161.09546	0.4
162.03116	0.2
163.03853	0.9
171.06525	1.5
175.03888	6.5
177.05437	100.0
178.05763	2.8
179.07036	0.2
181.04915	14.0
182.05289	1.8
186.05440	1.4
207.06497	8.1
207.10004	0.3
212.14125	0.2
225.11438	0.2
255.06442	0.4
258.47079	0.2
262.58911	0.2
544.59650	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25450	0.2
63.02306	0.4
65.03866	1.1
70.06506	1.0
78.04656	0.3
84.04433	0.4
84.08067	0.8
85.02827	0.4
89.03838	9.2
90.23456	0.2
91.05407	4.0
95.04883	0.9
97.06429	0.3
103.05421	0.3
106.04097	0.8
107.04897	0.2
108.02012	0.2
111.04379	0.2
117.03327	33.6
118.03675	1.0
119.04897	4.7
121.96352	0.2
124.05218	0.4
129.04489	0.2
130.95949	0.2
133.06097	0.2
134.03606	2.7
135.04405	3.0
142.02618	0.2
145.02824	82.1
146.03178	2.4
147.04413	3.6
149.05957	13.4
150.06277	0.2
151.03880	0.4
153.05382	0.2
161.09534	0.4
163.03854	0.9
171.06496	0.9
175.03857	5.7
176.04187	0.2
177.05435	100.0
178.05779	3.0
179.06993	0.3
180.13394	0.2
181.04912	11.0
186.05423	1.0
207.06502	6.4
208.06886	0.2
238.11330	0.2
255.06593	0.3
539.23322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68338	0.2
54.18425	0.2
55.01786	0.3
56.04974	0.6
63.02275	0.4
64.82826	0.2
65.03862	2.2
67.05417	1.1
68.04959	0.3
69.03339	1.1
70.06136	0.3
70.06509	6.8
72.08045	0.5
78.04604	0.4
78.83396	0.2
79.05392	0.5
79.41057	0.2
80.55556	0.2
81.03354	0.4
82.04119	0.5
83.04910	0.4
84.04429	3.9
84.08071	4.5
85.02811	2.8
86.09615	1.0
88.03879	0.3
89.03310	0.4
89.03835	9.6
89.04385	0.3
90.04156	0.2
90.98895	0.2
91.05403	1.9
93.07004	0.3
95.04888	0.6
97.02861	0.5
97.06441	0.5
99.04364	0.5
102.05472	1.0
103.03868	0.5
103.05396	0.4
107.04898	0.3
108.02022	0.4
109.02853	0.3
110.03587	1.0
110.07128	1.7
111.04411	0.4
115.08630	0.4
116.07014	0.5
117.03326	36.5
118.03663	1.2
119.04897	1.7
119.08510	0.3
120.08051	0.9
121.02827	0.4
121.06423	0.4
121.10062	0.3
124.05138	0.5
125.05939	1.2
127.03873	1.0
129.10193	1.1
134.03583	2.6
135.04399	3.4
136.07622	0.2
138.03050	0.4
142.02567	0.5
142.08672	0.3
145.02824	86.8
146.03149	2.8
147.04366	1.5
149.02277	0.3
149.05952	15.3
151.03883	0.9
153.05403	0.3
158.05956	0.4
161.09624	0.3
162.03194	0.4
163.03865	1.2
171.06532	2.8
175.03860	1.3
177.05432	100.0
178.05769	3.9
181.04915	26.2
182.05290	0.5
186.05434	1.7
199.07498	0.6
207.06491	1.8
215.07063	0.3
255.06465	4.9
266.87347	0.3
271.05994	0.3
291.10031	0.2
522.03290	0.3
585.23944	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01550	0.2
53.03879	0.3
55.01800	0.2
55.05454	0.4
55.71117	0.2
56.04982	0.2
58.76980	0.2
63.02304	0.4
63.15305	0.2
65.03874	1.5
67.05434	1.2
69.03357	1.1
70.00516	0.2
70.06514	4.2
71.04906	0.4
71.06846	0.3
72.08070	0.9
73.79284	0.2
78.04623	0.4
79.05415	1.1
81.03358	0.3
81.06980	0.3
82.04115	0.4
83.04899	0.3
84.04425	1.0
84.08057	1.0
85.02813	1.8
86.09641	1.8
89.03838	11.5
89.04392	0.4
91.05402	5.6
93.06996	0.2
95.04891	0.8
95.08539	0.2
97.02804	0.5
97.06459	0.4
99.04395	0.4
103.05416	0.9
105.06994	0.7
106.04111	0.5
107.04906	1.5
109.06437	0.2
109.10103	1.4
110.03596	0.4
110.07118	0.5
117.03331	42.1
118.03660	0.4
119.04893	6.0
119.08553	0.8
120.08079	0.5
121.06489	0.2
124.05208	0.5
125.05947	0.4
127.03888	0.9
129.04440	0.3
129.10265	0.3
131.04878	0.2
132.01993	0.3
133.10107	0.4
134.03607	3.1
135.04384	4.2
136.07536	0.3
137.09592	1.8
143.08517	0.3
145.02826	96.3
146.03160	2.1
147.04390	4.6
147.07999	0.8
149.05962	17.9
151.03897	1.2
155.50212	0.2
158.05954	0.3
161.09590	3.9
162.03094	0.3
163.03854	1.3
165.09082	2.6
171.06497	2.0
175.02583	0.2
175.03891	6.9
177.05437	100.0
178.05804	3.5
179.07089	0.2
181.04916	18.7
182.05296	0.4
184.07335	0.8
186.05476	1.2
189.09152	0.3
207.06505	8.5
207.10094	1.3
225.11163	1.3
255.06543	0.4
307.11203	0.2
369.15503	0.3
387.16245	0.7
529.92657	0.2
572.89325	0.2
585.24969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	1.2
53.26521	0.2
55.01814	2.1
55.05447	4.7
56.04987	0.2
57.03376	1.5
61.02846	0.4
65.60561	0.2
67.05429	5.8
69.03352	10.9
69.06989	1.3
70.06516	1.2
71.04913	2.3
73.02842	0.4
77.03844	0.3
79.05407	12.1
80.13800	0.2
81.03339	6.6
81.06965	3.4
83.04906	3.6
84.04459	0.6
84.08075	0.4
84.24214	0.2
85.02831	7.8
85.03353	0.3
86.09617	0.3
89.03818	0.3
91.05412	5.5
93.06964	2.2
95.04897	6.8
95.08543	3.0
97.02821	2.7
97.06454	3.0
99.04383	5.0
101.02333	0.9
103.05416	0.2
105.04453	0.3
105.06970	8.2
107.04305	0.3
107.04900	22.6
107.08526	1.8
109.02839	3.3
109.06482	4.4
109.10107	34.7
111.04399	2.8
113.05964	0.3
115.05429	0.3
117.02560	0.2
117.03299	1.7
117.07003	0.9
119.08533	8.4
120.08870	0.2
121.06483	1.9
123.04374	1.0
123.08051	0.6
125.05939	2.3
127.03885	4.6
127.05344	0.2
128.06183	4.4
128.47847	0.3
129.06953	4.1
130.07799	0.3
131.08553	0.5
133.06458	1.2
133.10097	11.2
135.08005	1.2
135.11653	0.4
137.09593	54.4
138.09927	1.0
141.06970	0.4
143.07039	1.0
143.08540	14.6
145.02809	3.1
145.04959	0.5
145.06461	0.6
145.10091	2.4
146.07268	2.5
147.08026	19.4
148.08357	0.3
149.05957	0.4
151.11153	0.5
159.08006	1.0
161.09587	100.0
162.09935	2.6
163.11134	1.8
165.09081	57.9
166.09410	1.0
171.08026	1.5
173.04420	0.5
174.06728	1.7
177.05415	3.5
177.07651	0.2
179.10635	8.6
181.04924	0.4
189.09058	7.9
197.11702	2.6
199.13251	0.3
207.10136	37.9
208.10460	1.1
225.11183	31.7
226.11351	0.4
243.12196	1.8
260.54837	0.3
274.16931	0.2
351.14355	0.9
369.15363	3.2
387.16428	20.0
388.16483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96175	0.4
53.00232	0.4
53.03896	4.1
55.01821	0.8
55.05450	2.4
55.62528	0.4
57.03368	5.6
59.04935	0.7
61.02854	2.7
66.08381	0.4
67.05421	2.8
69.03352	30.3
69.06990	5.4
70.06506	1.0
71.04908	4.8
73.02837	2.9
75.04400	0.7
79.05413	1.7
79.07590	0.4
81.03339	17.9
81.06979	1.6
83.01252	0.5
83.04906	2.3
83.08520	0.6
84.04422	1.8
84.08064	3.5
85.02830	72.8
86.09631	1.9
87.04401	7.2
91.03888	0.8
91.05408	1.1
92.10101	0.4
93.06978	1.0
95.02892	0.5
95.04926	0.8
95.08549	1.8
97.02829	49.6
99.04391	46.7
101.02349	0.6
102.05489	0.5
103.03883	100.0
104.10698	0.5
105.06989	1.8
107.04889	0.6
109.02833	22.0
109.10042	0.6
110.15291	0.5
111.04382	1.9
111.11702	0.9
115.03871	7.9
117.05396	0.4
119.08539	0.8
121.06498	0.6
121.10140	0.7
127.03881	98.2
127.37978	0.4
128.04213	1.8
129.05476	0.9
129.10207	2.0
131.08461	0.5
133.04936	4.3
135.08015	2.4
139.03889	0.9
140.24013	0.5
144.09845	0.4
145.04942	37.1
146.05286	0.6
146.31236	0.4
149.05923	0.7
150.07588	0.9
151.03902	0.6
163.05989	36.8
169.04932	1.1
175.05916	0.6
177.05496	3.9
184.07359	1.9
186.99136	0.5
187.06012	3.7
189.12839	0.5
199.06032	0.6
202.44208	0.5
205.04984	0.7
205.07034	1.9
223.05994	1.9
232.68088	0.4
241.07043	2.1
242.98550	0.5
253.07022	0.9
259.08093	1.1
271.08032	5.6
277.09024	0.5
289.09177	5.5
301.09073	4.5
307.06638	0.8
307.10214	20.2
321.40491	0.5
347.73517	0.5
403.12201	2.4
417.21201	0.7
421.13071	0.9
577.66772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	23.9
57.07011	6.3
65.21529	4.6
66.28100	4.6
67.05428	32.5
69.06983	31.4
71.01276	20.4
75.94525	5.2
79.05420	11.5
81.06992	49.1
83.08533	5.8
85.02822	11.7
91.05423	8.9
93.06990	40.4
95.08549	100.0
101.02325	32.9
103.55208	4.6
105.06998	50.9
107.08543	55.8
109.10126	61.1
111.08012	7.7
119.08544	67.6
120.22578	5.9
121.10112	47.8
123.11643	24.0
127.03880	53.8
131.08521	11.4
133.10118	51.4
133.10986	5.7
135.11687	34.8
145.04962	10.4
145.10114	28.6
146.03580	5.0
147.11681	33.0
149.13271	23.4
151.01590	6.0
157.10132	8.4
159.11681	27.5
161.13220	29.3
163.14815	9.0
173.13239	11.5
175.14828	39.1
177.16379	10.2
184.07315	19.0
189.16370	7.8
199.14903	7.2
201.16411	19.5
203.17999	21.8
217.19373	11.6
423.36224	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05086	0.3
53.03877	1.6
55.01807	0.6
55.05397	0.4
56.96500	0.8
57.03363	0.5
61.02827	0.5
61.67186	0.4
61.95403	0.5
65.03859	1.8
67.05427	2.8
67.84829	0.4
71.04901	1.0
73.02825	1.9
73.90936	0.4
79.05399	0.7
81.03339	0.4
84.08051	0.7
85.02823	3.3
86.09599	1.4
88.10627	0.4
89.30920	0.4
93.06980	0.7
95.01249	0.5
95.04898	4.8
95.08530	2.0
97.02839	0.5
98.97527	0.5
105.03335	37.5
105.06973	0.5
107.08543	0.6
108.02028	2.7
109.02828	1.0
109.10149	0.4
111.04387	0.5
116.98540	0.7
123.04362	0.4
129.59134	0.4
134.99576	0.8
141.05440	5.2
151.03886	100.0
151.04991	10.1
152.04250	0.9
158.99632	0.6
161.01186	0.7
177.00725	0.4
184.07298	0.4
189.00627	0.4
219.01732	0.6
237.02821	1.0
251.05524	0.9
261.03021	0.5
279.04150	3.3
383.07648	2.2
573.34070	0.6
574.26105	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	2.3
54.81549	1.3
55.01798	1.8
55.05450	2.8
57.03365	3.3
61.02849	3.1
67.05434	2.7
69.03351	33.3
70.06506	10.8
70.33009	1.5
70.87016	1.4
71.04900	9.3
72.08052	2.6
73.02829	7.2
76.55902	1.9
79.05408	3.2
81.03346	14.6
81.06972	2.7
83.04919	1.9
84.04428	3.8
84.08066	12.7
84.22307	1.3
85.02827	78.0
86.09634	7.0
87.04372	3.7
91.03888	1.7
91.05386	2.7
92.10890	3.4
93.06984	2.5
95.08535	3.6
97.02819	37.9
99.04384	45.1
103.03874	100.0
105.03342	3.4
105.06992	2.1
107.08540	3.1
109.02840	20.5
110.07114	2.6
111.04382	2.7
115.03901	3.5
115.48341	1.6
119.08590	2.2
120.08051	2.1
121.10072	1.7
127.03875	95.2
127.90124	1.6
129.10139	2.2
133.10115	1.9
136.07657	1.8
145.04936	33.2
147.11740	2.0
151.03882	13.0
159.73909	1.8
163.05978	32.6
184.07358	3.3
237.02875	2.0
271.08099	4.0
301.09323	2.3
307.10214	18.2
348.55746	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	587.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18958	0.4
54.46856	0.6
56.04979	6.0
66.10787	0.6
67.05433	0.8
70.06508	11.8
72.08075	1.0
74.05980	0.7
79.05417	1.0
82.05232	1.1
83.06026	2.8
84.04432	92.1
84.08060	8.8
85.02824	0.7
85.04797	1.1
86.09647	3.1
89.03837	0.9
91.05410	16.1
92.10854	0.9
92.64342	0.6
93.06995	1.6
95.04903	2.9
96.04406	0.6
102.05489	2.9
103.05416	11.8
107.04908	4.7
110.07114	1.3
117.03364	2.3
118.03709	0.8
118.06506	1.3
119.04911	18.3
120.08064	100.0
121.06462	0.8
121.08426	0.8
122.05979	1.1
123.04386	19.0
129.06604	1.0
129.10219	3.1
130.04965	22.6
130.06482	1.1
131.04878	4.6
136.07559	70.9
137.07867	0.8
141.33200	0.6
145.02858	4.2
146.03246	1.2
146.06073	0.8
147.04399	11.2
149.05940	2.7
151.03864	1.3
159.07947	1.0
165.04054	0.9
165.05444	25.8
165.06769	1.2
166.08620	15.7
167.07024	0.9
167.08231	2.7
168.08049	9.1
168.10239	1.0
175.60686	0.7
177.05469	3.4
178.05763	2.8
181.04912	0.8
182.05199	0.7
182.08087	16.2
184.07552	3.4
185.10710	13.9
186.09113	61.0
187.09470	1.1
195.07620	3.7
200.07059	1.2
201.10181	1.2
202.08601	32.1
203.08871	0.8
204.10262	0.9
223.07201	3.4
231.11252	11.3
232.09595	5.2
241.08188	5.4
247.10750	1.3
248.09135	4.8
255.06503	0.9
277.11835	1.3
311.12466	3.0
342.14294	1.2
358.13940	3.6
360.15475	3.9
376.14935	11.3
383.22058	0.8
388.15018	1.3
404.14432	3.7
406.16275	4.5
413.97665	0.7
422.15494	15.4
551.21344	0.8
569.22327	26.3
570.21747	2.8
587.23230	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	587.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83751	0.2
54.81553	0.3
61.73857	0.3
64.54454	0.2
68.86489	0.3
70.06528	0.4
71.04888	0.4
74.02360	0.4
81.06972	0.3
85.02870	0.3
90.05481	0.4
91.05368	0.3
98.02318	0.3
99.07970	0.3
112.14014	0.3
115.05419	1.2
116.92064	0.3
117.05635	0.4
117.06972	1.3
118.06492	20.9
119.06762	0.3
120.08039	1.3
124.07565	0.4
127.03939	0.4
130.06520	2.3
132.08057	6.5
142.06520	2.4
143.07272	2.8
144.04401	0.5
144.08064	16.3
145.08374	0.5
146.05991	86.7
147.06317	2.9
159.09145	7.9
160.07553	1.1
170.05975	5.4
185.11696	0.4
188.07033	100.0
189.07343	4.0
198.96872	0.5
202.10703	1.1
205.09694	24.2
206.09947	0.3
211.81833	0.4
220.11739	1.4
310.01419	1.1
547.35651	0.3
587.15283	0.6
614.38660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22749	3.9
53.00268	4.3
54.82149	4.8
55.01810	10.4
55.05446	32.6
55.57152	4.0
57.03379	10.1
61.02856	22.1
64.33832	5.6
65.99371	4.5
66.03638	4.4
67.05423	94.3
68.05797	4.9
69.03353	64.4
69.06986	32.2
71.07277	4.4
75.80534	5.2
79.05403	42.0
81.03333	6.5
81.06969	100.0
83.08548	10.2
85.02845	36.9
85.06487	5.1
86.09626	22.6
91.03836	6.2
91.05400	29.0
93.06982	43.8
95.08528	84.6
97.02824	20.3
97.10105	22.2
104.10690	29.7
105.06993	20.5
107.08548	22.6
109.10120	29.1
114.38258	5.2
119.08533	20.8
121.10146	12.4
123.11662	6.8
125.09621	6.0
127.03871	22.9
130.70393	5.1
149.13182	6.8
154.70561	5.0
161.13274	7.9
174.98285	5.2
184.07320	31.8
263.23703	28.7
342.65677	5.7
347.25443	5.0
371.25897	10.3
533.47223	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	587.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28001	5.2
55.01806	7.9
55.05450	38.7
57.07021	10.9
59.04929	5.3
61.02842	7.7
62.74255	6.1
67.05428	100.0
69.03352	59.3
69.06986	44.9
71.04890	11.6
71.08591	6.7
71.70204	6.6
73.02834	6.7
79.05402	45.7
81.03340	9.2
81.06969	99.1
83.04898	8.4
85.02835	44.9
86.09647	28.3
91.05405	36.5
91.38279	6.9
93.06980	36.6
95.08531	83.5
97.02818	32.9
97.06480	7.2
103.73974	7.2
105.06987	28.5
107.08527	15.6
109.10102	28.8
119.08544	15.7
121.10089	14.4
123.10019	6.5
127.03854	14.5
131.08496	8.2
133.10059	11.3
147.11693	9.1
149.17752	6.7
151.11121	9.0
184.07314	23.4
228.23126	7.1
258.89172	6.6
263.23721	13.2
311.25598	6.9
332.20526	7.1
386.57883	7.8
396.14502	7.1
600.82220	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	589.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.2
55.01804	0.2
55.05433	0.1
56.04945	0.1
64.33559	0.1
65.03861	0.2
67.05434	0.1
69.03336	0.5
69.06966	0.1
70.06509	1.3
72.08062	0.1
79.05388	0.2
81.03317	0.6
84.04425	0.7
84.08063	0.8
85.02823	0.6
86.09612	0.3
87.00769	0.1
88.03871	0.1
91.05404	1.4
92.10155	0.2
93.06928	0.2
97.02809	0.2
99.04368	0.2
107.04892	0.2
109.02837	0.3
119.04889	0.8
120.08077	0.1
121.02852	0.2
127.03854	0.9
128.06168	0.2
129.06956	0.8
129.10188	0.2
131.04883	0.2
131.08467	0.1
133.02814	0.6
134.03525	0.1
137.02310	6.6
137.05859	0.3
137.09576	0.5
141.06917	0.2
143.08508	0.3
145.02812	1.6
145.04918	0.2
149.02310	0.7
151.03867	0.1
152.06171	0.2
153.06940	1.5
157.06451	1.2
161.09561	0.9
165.09157	0.2
171.08026	1.1
181.04939	0.3
181.06409	2.3
185.05916	0.5
187.07404	0.1
197.06049	0.2
199.07518	11.6
200.07903	0.5
207.10085	0.2
209.05925	0.5
211.07532	0.2
227.04715	0.1
227.06993	5.3
237.05466	2.0
255.06467	100.0
256.06796	3.3
271.05930	0.5
293.40268	0.1
299.19214	0.1
421.22757	0.1
462.52277	0.1
541.38062	0.1
589.11731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71004	0.5
52.89845	0.5
53.03881	3.9
54.81751	0.7
55.01815	4.7
55.05459	0.6
57.03368	4.5
57.07003	0.7
61.02856	1.0
64.21307	0.7
65.03833	0.6
65.68530	0.7
67.05436	1.4
68.99706	1.5
69.03352	20.8
69.06979	1.4
70.06510	3.6
71.04912	1.5
72.69376	0.7
73.02829	1.4
79.05408	5.5
81.03333	16.5
81.06980	7.7
84.04446	1.5
84.08078	1.6
85.02826	24.4
86.09616	0.9
87.00751	13.5
91.05415	9.9
92.10334	0.8
93.06944	2.3
94.04113	4.3
95.04932	1.2
95.08539	1.1
97.02827	11.4
99.04370	6.1
103.05399	6.0
104.06227	0.7
104.53610	0.8
105.01826	6.6
105.04539	0.7
105.06978	8.3
107.04910	4.7
107.08539	13.4
108.57266	0.6
109.02813	10.1
109.06470	4.8
109.10115	3.8
111.04411	0.7
115.03907	1.1
115.05400	5.5
117.01798	2.8
117.06950	3.5
119.08524	6.8
121.06460	1.2
121.10107	7.9
122.03603	8.6
122.07262	2.9
127.03876	12.7
128.06183	3.8
129.06981	2.7
131.04900	9.5
131.08540	1.1
132.05695	5.1
133.06480	1.7
133.10092	61.7
135.07986	7.6
135.11652	1.1
137.05954	100.0
137.09583	33.8
141.06999	2.8
145.04944	2.8
145.06546	0.9
146.03604	0.7
147.04364	1.1
147.08031	9.4
149.09636	1.1
149.13249	7.3
151.03841	0.8
151.11140	1.2
156.05737	0.7
159.02838	4.1
160.05173	4.5
161.05936	9.4
163.07484	10.9
169.06465	1.5
171.08072	1.5
173.13258	3.9
175.07512	49.4
176.07968	0.7
184.05215	1.6
187.07532	4.6
190.07669	0.9
191.08521	3.7
191.14272	24.5
199.07532	12.2
201.09093	1.1
202.07809	5.4
203.06837	1.2
203.08556	11.6
204.09209	0.8
209.15334	5.4
213.03993	0.7
215.08499	0.9
219.08014	6.9
220.08772	1.7
231.04825	0.8
231.05521	0.9
231.07976	13.2
232.08711	1.2
233.09518	0.8
235.11183	0.9
236.08496	0.7
247.07480	4.2
248.08322	4.0
249.09009	1.1
251.10609	5.0
259.07440	6.8
260.08429	3.4
261.09006	0.8
263.10678	6.3
275.07047	1.2
276.07788	3.7
277.08527	5.1
279.10089	3.2
291.10123	12.0
292.10864	4.8
293.08237	1.2
308.10312	3.9
311.12784	8.6
323.12726	18.5
325.14291	3.4
403.16992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00232	0.7
53.03882	1.6
55.01805	2.7
55.05448	1.2
56.04971	0.7
56.96504	0.6
57.03359	1.4
61.02431	0.6
61.02840	0.8
65.68681	0.6
67.05418	0.7
68.79311	0.6
68.99720	0.9
69.03349	8.0
70.06137	1.2
70.06511	28.9
70.06893	1.0
71.04908	0.7
72.08078	6.4
73.02809	0.9
77.30439	0.6
79.05411	1.4
81.03335	7.9
81.06945	0.8
83.06020	1.0
84.04426	11.8
84.08066	12.3
85.02828	14.1
86.09629	4.1
87.00758	5.7
88.03932	0.9
91.05422	5.7
94.04106	2.8
95.04890	1.0
97.02840	4.7
99.04390	3.0
102.05480	1.1
103.03849	0.7
103.05406	2.4
103.33362	0.6
105.01817	3.9
105.06973	6.1
107.04912	2.4
107.08469	0.6
109.02829	6.6
109.06432	2.8
110.07108	6.7
112.08720	1.0
113.07013	0.7
115.05405	3.0
115.08640	1.3
117.03318	2.7
119.04903	1.4
119.08516	3.0
120.08047	1.5
122.03595	8.6
127.03883	8.6
128.06223	1.4
129.01801	0.9
129.06926	3.0
129.10181	5.3
131.04936	1.5
132.05696	2.6
133.06477	5.4
136.07578	1.4
137.05956	100.0
138.06323	1.0
145.02841	3.1
145.04932	2.9
145.06473	0.9
147.08035	2.7
149.05972	3.4
151.03877	3.1
151.07472	0.7
155.04936	1.2
157.15750	0.7
159.02882	2.8
159.08052	4.0
160.05188	1.2
161.05949	11.1
161.09602	1.0
175.07500	22.0
177.05435	2.8
187.07474	8.3
189.09055	0.6
190.07747	2.8
191.08557	8.6
199.07487	8.0
202.07689	4.8
203.08560	5.2
205.06520	0.8
207.08099	0.9
208.08702	1.1
218.07249	1.1
219.08031	16.3
220.08815	3.7
231.05724	0.9
231.07928	7.2
232.08742	1.5
235.07458	1.1
235.11505	0.7
236.08305	3.4
237.09137	0.8
247.07448	7.7
248.08249	3.7
249.09142	1.2
251.10611	18.4
255.06389	11.0
256.06671	0.8
259.07495	2.9
260.08234	1.6
263.10587	4.2
264.07733	2.4
265.08588	0.9
276.07739	2.7
277.08600	1.6
279.10114	9.8
291.10022	6.4
292.10681	1.3
295.06033	0.8
295.13193	0.8
296.10287	0.9
308.37137	0.7
311.12720	23.3
323.12643	12.6
370.78940	0.7
392.22849	0.7
401.13870	0.9
538.29590	0.7
588.40826	9.9
589.32343	1.0
589.41156	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	589.2105
Annotation	Devenyoside C
Peak:m/z	Relative Intensity
55.05443	0.4
56.04985	1.5
57.03380	0.8
61.02829	0.4
66.23765	0.4
67.05409	0.7
69.03348	1.1
69.07027	0.7
70.06509	13.6
71.04915	0.6
72.08071	0.7
79.05422	1.6
80.85933	0.5
81.06994	0.6
84.04428	8.3
84.08080	5.1
85.02840	2.0
85.04787	0.4
86.05988	1.1
86.09628	2.0
91.05402	1.9
93.06950	0.6
95.08480	0.6
97.02824	2.0
102.05518	0.5
109.10098	1.0
110.07117	1.1
112.08649	0.5
116.07039	0.8
119.01886	0.7
119.04865	0.8
120.08067	4.1
121.08440	0.5
123.04390	0.6
127.03846	0.7
129.10207	1.0
130.05000	0.7
133.10129	0.5
136.07545	2.2
137.09587	0.9
147.04408	0.6
149.09589	2.4
150.09961	0.5
161.09586	1.7
165.09132	0.6
185.04320	3.2
203.05228	10.2
203.08968	0.6
207.13794	0.7
208.14119	0.6
226.92461	0.5
245.14925	0.6
283.10324	1.1
365.15887	4.0
367.13486	3.4
409.14737	2.8
427.15686	54.4
428.15942	1.0
589.20905	100.0
590.21240	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	589.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92066	0.4
53.03896	5.0
55.05443	2.1
56.04962	0.5
57.03354	2.3
57.53537	0.4
61.02847	3.1
65.03855	0.5
65.20576	0.5
67.05416	3.2
69.03008	0.9
69.03351	18.9
69.06983	1.0
70.06506	7.7
71.04916	6.9
72.08053	1.1
73.02824	2.9
75.81011	0.5
79.05400	3.0
81.03335	19.9
81.06971	2.3
82.56061	0.5
83.04906	4.9
84.04436	4.1
84.08060	2.4
85.02828	70.6
86.03122	0.6
86.09640	2.2
87.04405	0.9
91.05398	3.6
93.06986	5.3
94.40797	0.6
95.04899	7.7
95.08527	3.1
97.02828	22.8
97.06464	1.0
99.04387	54.9
102.05450	0.7
103.03879	100.0
105.06947	7.3
107.04878	0.9
107.08497	4.4
109.02822	16.5
109.06483	4.1
109.10098	1.0
110.07081	2.4
111.04379	4.5
113.05994	0.5
115.03853	0.6
116.07047	0.6
117.06950	0.9
119.04880	0.8
119.08533	7.8
121.06472	4.0
121.10112	1.0
123.04347	0.7
123.08051	6.4
123.90779	0.5
127.03875	90.4
128.04176	1.0
129.06941	1.1
129.10167	1.1
131.08542	4.2
133.06477	0.9
133.10057	2.9
135.07991	5.1
137.05870	0.7
137.09554	0.8
142.07706	0.7
143.08540	2.8
144.09306	1.0
145.04936	32.3
145.10077	5.0
147.04391	0.6
147.08023	3.3
147.11626	0.7
149.05922	0.7
149.09610	0.9
155.08470	0.8
155.10658	0.6
156.09320	2.3
157.10019	1.3
158.07227	1.0
159.07988	3.7
159.11626	3.5
161.05939	1.2
161.09660	5.2
163.05991	29.0
163.07387	1.2
165.09033	2.4
169.05054	0.6
171.07941	0.8
171.11618	2.7
172.08730	2.5
173.09595	1.1
173.13252	1.2
175.07526	2.6
175.11107	1.3
181.04887	0.7
182.67021	0.6
183.11658	1.1
187.05968	4.1
187.11145	2.4
189.09079	2.9
189.12668	0.8
193.10065	0.9
196.08846	0.9
199.11124	5.4
201.12740	3.1
203.10579	1.2
205.07011	2.6
207.06644	0.8
207.10027	0.7
211.11136	2.6
217.12141	2.6
219.13654	0.7
229.12169	3.6
235.13306	0.6
247.13225	17.8
253.14316	0.7
255.06390	0.7
264.21582	0.5
265.14288	10.1
271.08228	4.8
278.00800	0.6
289.09036	2.8
307.10092	5.3
322.09988	0.5
575.75323	0.6
589.21124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78106	0.5
55.05449	13.4
57.47549	0.5
78.21103	0.6
83.08536	37.1
84.08048	0.7
85.02821	1.4
86.09654	1.9
87.02154	0.6
91.28681	0.5
95.04844	0.7
100.11185	100.0
110.07064	0.6
119.04893	2.9
127.03807	1.1
146.11743	37.0
147.04379	6.7
175.07642	0.7
232.48213	0.5
265.14398	4.2
273.18655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	0.6
54.25402	0.3
55.05453	5.1
57.03131	0.5
57.03371	8.0
57.07011	43.3
67.05422	7.5
69.06983	6.4
71.04894	0.5
71.08543	28.8
72.08848	0.5
79.05399	0.6
81.03326	5.5
81.06973	10.4
83.08529	8.3
85.02816	0.6
85.10102	13.8
86.09633	0.9
89.05928	0.7
93.06937	0.6
95.08527	14.5
96.08865	0.6
97.10094	4.5
97.27561	0.4
98.98395	39.4
99.04372	0.6
99.11642	0.4
109.02825	3.4
109.10104	5.6
111.11623	0.5
116.99431	0.9
121.10076	0.5
123.11652	2.4
125.00013	0.6
137.13240	1.0
155.01009	22.2
173.02048	1.7
177.14842	0.4
184.07314	1.9
239.23595	2.0
257.24756	0.5
261.03674	0.6
313.27292	100.0
314.27597	6.1
317.06186	2.3
335.07364	1.6
393.23938	5.6
401.28873	2.3
510.43295	0.5
537.27881	7.3
538.28705	0.5
539.60358	0.5
550.07391	0.4
555.29370	3.4
556.29346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	7.8
55.05447	26.9
57.03368	4.8
57.07008	3.7
60.08089	7.0
67.05423	27.7
69.03327	17.9
69.06991	35.4
70.06518	3.9
71.04900	21.8
71.07233	4.5
71.08570	3.7
76.02138	7.6
76.56280	4.0
79.05398	31.0
81.06979	91.3
83.08546	5.9
85.02820	30.7
86.09627	45.1
87.00745	6.4
90.05446	3.5
90.65643	3.3
91.05390	9.2
93.06973	62.9
95.04878	7.5
95.08558	40.4
97.06458	4.6
105.01801	7.0
105.06959	31.9
107.08549	60.9
108.45210	3.4
109.10110	70.4
116.01604	6.2
119.08531	38.4
121.10089	44.5
123.11653	14.6
124.99931	36.0
127.03833	8.6
127.11145	22.2
129.71426	4.4
131.08527	5.2
133.10095	27.2
135.11644	20.6
139.11195	3.8
145.10117	13.5
147.11647	29.6
149.13228	37.2
153.73361	3.6
158.02731	9.3
159.11610	16.3
161.13188	8.9
173.13225	4.4
175.14792	4.1
184.07314	100.0
187.14738	14.8
189.16408	5.1
191.17888	8.1
193.06384	14.1
201.16232	5.9
203.17929	21.5
240.28418	3.5
250.32458	3.4
261.89258	3.5
271.24088	15.4
289.25244	20.5
315.00418	4.0
547.19482	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	591.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57755	0.8
56.04991	0.9
63.02332	0.7
65.03567	0.8
65.03849	7.0
67.05418	1.9
69.03363	1.3
70.06523	5.3
72.08050	1.0
82.04111	1.7
84.04430	1.4
84.08092	1.7
85.02830	6.0
85.14009	0.8
86.09635	3.6
88.25517	0.9
89.03834	19.1
91.05405	5.7
92.10929	1.4
95.04910	1.6
110.03604	1.9
110.07132	1.6
111.04382	1.4
117.03329	58.7
119.04902	5.4
124.05196	1.2
125.05964	1.5
134.03600	4.4
135.04405	6.3
138.03053	0.9
145.02826	100.0
146.03183	1.3
147.04384	5.2
149.05952	17.2
151.03925	4.4
163.03958	1.8
171.06487	7.7
175.03911	3.5
177.05437	89.7
178.05852	1.8
181.04915	65.6
199.07585	1.7
207.06534	4.3
255.06448	32.9
256.06741	1.8
285.10062	3.3
503.11951	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	591.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.8
55.01805	0.9
56.04967	0.9
57.03354	0.5
65.03570	0.6
65.03866	8.5
67.05437	4.6
69.03336	2.0
69.06981	0.6
70.06514	11.5
72.08074	0.7
78.04624	0.5
79.05399	0.5
81.03310	0.8
82.04126	4.2
84.04441	5.7
84.08072	5.5
84.25571	0.4
85.02832	7.7
86.09633	2.0
89.03840	15.8
91.05399	2.5
93.03329	0.9
95.04885	2.8
95.06030	0.5
97.02808	0.7
97.06474	3.9
99.04459	0.4
102.05496	0.7
103.05390	0.7
105.06973	0.7
106.04138	0.7
108.01992	1.9
110.03625	4.8
110.07114	2.2
111.04397	4.0
114.67346	0.4
117.03331	40.1
118.03600	0.5
119.04887	2.7
123.00716	0.6
125.05954	2.4
127.03873	0.6
129.10194	1.8
134.03568	2.6
135.04413	4.0
136.07489	0.5
138.03088	3.4
142.02571	2.8
145.02831	70.4
146.03122	2.2
147.04378	2.1
149.05969	13.0
151.03918	4.0
163.03833	0.7
171.06490	11.0
175.03883	0.7
177.05446	65.8
178.05779	0.9
181.04927	100.0
182.05200	1.1
186.05476	0.8
207.06499	1.1
255.06516	1.8
271.05823	0.5
345.02637	2.9
363.03690	2.0
374.32196	0.5
506.40085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26852	0.5
52.30165	0.5
55.05448	0.5
56.42913	0.5
60.08080	0.6
60.26767	0.4
65.03844	5.2
67.05439	0.7
69.03342	0.8
79.05399	0.8
82.85947	0.5
86.09622	4.9
95.04879	0.6
97.60953	0.5
102.90948	0.6
104.10670	1.2
108.05200	0.6
111.04380	0.6
121.02827	3.4
124.99973	2.9
127.35711	0.5
132.95166	0.6
139.03868	4.7
147.04498	0.5
149.02322	100.0
149.03409	7.4
150.02736	1.1
175.03932	1.2
184.07280	5.5
191.07034	0.7
193.04927	40.3
194.05295	1.1
219.06509	1.3
297.03888	0.6
307.64160	0.6
313.07001	0.9
324.85696	0.6
341.06509	2.5
359.07602	1.3
360.05289	1.0
385.09128	8.7
577.13330	42.4
578.13379	1.4
593.32581	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	594.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02658	0.6
53.03883	1.5
53.37927	0.5
55.01813	0.9
55.05453	8.6
56.04977	0.6
57.03362	0.8
57.33468	0.5
59.80503	0.6
59.80873	0.7
65.03857	8.7
67.05429	4.8
69.03333	2.9
69.06987	0.8
70.06508	11.6
71.06831	0.8
72.08056	1.5
77.62967	0.6
79.05410	1.3
81.03328	1.3
81.06953	1.0
82.02862	0.7
82.04108	2.7
83.04899	13.9
84.04412	1.1
84.08063	3.3
85.02834	10.0
86.09623	9.2
93.03306	1.1
95.04881	3.3
95.08500	0.7
97.02827	1.5
97.06441	1.4
99.04436	0.6
102.05461	0.7
105.03335	11.5
105.06934	0.8
105.26184	0.5
107.04906	4.7
108.02070	0.8
109.02813	3.6
109.10110	0.8
110.03601	3.4
110.07086	1.0
111.04376	2.9
119.08557	0.8
120.08099	0.6
124.99949	1.4
125.05955	2.7
126.04519	0.6
127.03877	2.7
128.47794	0.6
130.06482	4.0
131.08586	0.8
133.10092	0.8
136.07549	1.2
137.14252	0.6
138.03050	2.4
141.01796	1.2
142.02620	2.8
143.55542	0.6
144.08023	0.9
159.09157	1.4
171.06483	12.2
171.09154	0.7
177.16284	0.6
181.04915	100.0
182.05244	2.4
184.07317	4.7
257.06329	0.8
271.05957	1.1
337.32300	0.7
408.52914	0.8
515.38885	0.7
516.18494	2.7
516.68555	1.3
517.18335	0.7
572.23090	0.7
572.72711	7.4
573.22705	7.1
573.72797	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	594.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04962	0.5
56.91018	0.3
56.96496	0.7
58.06519	0.5
58.18950	0.3
60.08095	7.6
71.07291	4.0
71.08556	0.4
74.76323	0.3
76.56512	0.3
79.16000	0.3
82.81711	0.3
86.09628	17.4
92.64280	0.3
100.75272	0.3
102.92522	1.5
104.10680	100.0
105.11029	1.7
124.99976	0.5
136.93027	0.6
154.94113	4.1
162.94617	0.6
172.95195	10.1
180.95645	3.5
184.07341	0.8
190.96246	8.2
198.96758	36.2
210.96779	2.1
216.97810	40.3
221.98363	1.7
222.00400	0.4
228.97858	4.8
234.98856	0.8
239.99474	0.6
240.51439	0.3
246.98775	0.5
254.99355	2.5
258.04028	0.5
273.00565	0.4
313.20258	2.5
331.21436	2.6
366.49857	0.3
419.18420	0.7
437.19687	1.8
449.19952	2.8
467.20807	0.6
475.21164	2.0
478.25702	3.7
482.73663	0.5
493.57101	0.4
534.28583	5.6
594.30627	16.1
595.31018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04959	1.1
56.96487	1.0
57.07006	1.3
58.06531	1.1
60.07858	0.6
60.08094	9.3
63.46373	0.7
64.01823	0.7
69.13626	0.7
71.07283	7.9
86.09625	34.5
95.08499	0.8
98.98390	0.8
102.92555	1.3
104.10682	100.0
112.19875	0.8
124.99943	4.3
136.93044	1.3
154.94130	3.3
172.95193	16.3
180.95660	4.1
184.07323	6.2
190.96240	14.9
198.96756	55.2
210.96823	1.8
216.97818	61.6
228.97780	10.6
234.98793	0.9
239.99338	1.2
240.09970	1.5
250.81786	0.8
254.99402	3.7
300.05270	1.2
313.20300	3.3
331.21414	4.9
393.17313	1.0
437.19968	1.6
449.19653	4.0
467.20535	1.4
475.21295	1.9
478.25894	6.8
533.32538	1.0
534.28656	6.5
568.52136	0.9
594.30505	27.6
595.30743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40371	1.3
54.81594	1.1
55.05452	6.5
57.03369	2.6
57.07012	25.8
67.05423	25.8
69.06991	9.1
71.08549	15.8
76.56230	1.6
79.05399	3.1
81.06965	11.3
83.08549	5.8
85.10104	7.5
92.10278	1.4
93.06987	9.6
95.08530	100.0
97.06435	2.0
109.10158	3.4
123.08033	2.5
146.67001	1.8
159.10120	3.4
184.13235	5.1
198.01073	1.5
215.12677	1.8
274.76501	1.4
282.27985	1.6
313.27213	2.4
453.35602	80.4
454.35657	2.7
483.36951	1.7
576.36176	3.5
622.59210	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Pelargonin
Peak:m/z	Relative Intensity
53.03881	0.4
55.01802	0.5
56.04972	0.3
57.03361	1.1
61.02855	1.3
65.03870	0.3
68.04943	0.2
68.99709	0.3
69.03351	4.8
70.06512	5.3
71.04911	0.3
71.06813	0.3
71.19901	0.2
72.08064	0.3
73.02833	0.4
77.83150	0.2
81.02921	0.2
81.03339	1.9
84.04429	3.5
84.08060	2.7
85.02827	14.4
86.09649	0.7
87.04386	0.7
87.43437	0.2
88.03896	0.3
91.03863	0.3
91.05392	1.1
95.06003	0.2
97.02818	3.6
99.04369	0.8
101.02258	0.2
101.07102	0.2
102.05481	0.5
103.03867	0.4
109.02840	1.4
110.07124	2.0
112.08688	0.2
113.07108	0.2
115.05379	0.2
115.08646	0.3
119.04895	0.9
120.08036	0.4
121.02863	0.3
127.03867	5.6
129.10207	0.5
130.04123	0.3
131.04857	0.3
131.08476	0.2
131.67735	0.2
133.02802	0.3
145.02832	1.3
145.04938	0.3
146.05962	0.2
147.04399	0.2
149.02336	1.8
153.01799	6.1
159.04404	0.9
165.01782	0.8
169.06468	0.9
175.07359	0.3
176.04683	0.3
181.04961	2.7
181.06444	0.3
187.07486	0.3
197.05975	1.3
207.06621	0.3
215.06996	5.6
225.05525	0.3
239.06932	0.2
243.06520	4.3
253.04871	2.7
254.05696	0.5
255.06541	0.4
271.05957	100.0
272.06274	4.7
295.05939	1.1
313.06961	1.9
325.06952	0.2
337.07056	0.4
433.11252	2.5
470.31244	0.2
595.23535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.166
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01802	0.1
55.05439	0.2
57.03139	0.1
57.03375	1.8
59.04927	0.1
61.02858	2.7
65.03855	0.1
68.99389	0.1
68.99712	0.6
69.03333	0.6
70.06512	0.4
71.04910	9.0
73.02829	0.8
75.04401	0.6
79.05386	0.1
80.67604	0.1
81.03321	0.2
83.04909	0.7
84.04431	0.1
85.02829	11.1
87.04379	0.1
91.03886	1.3
91.05434	0.1
91.39600	0.1
92.10289	0.1
93.03338	0.1
95.04906	0.2
97.02825	1.6
99.04399	0.1
103.45381	0.1
105.03349	0.4
107.04910	0.3
109.02827	0.6
111.00742	0.9
111.04372	0.6
119.04935	0.1
121.02808	3.0
127.03864	0.6
129.05446	1.7
133.02795	0.4
135.04381	0.1
137.02338	1.0
140.17419	0.1
142.72037	0.1
145.02805	0.4
145.04907	0.2
145.06445	0.1
147.04376	0.5
147.06470	0.6
153.01810	4.4
155.79907	0.1
157.06465	0.4
165.01825	1.7
171.02972	0.1
171.04414	0.2
177.05420	0.5
183.02838	1.0
185.05920	0.4
189.05476	0.2
197.05980	0.1
199.03886	0.1
213.05431	1.6
231.06499	0.6
241.04871	1.1
243.06351	0.1
258.05225	1.2
259.05908	0.4
269.04388	0.2
287.05447	100.0
288.05759	4.0
410.57092	0.1
449.10730	0.3
593.36353	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	Pelargonin
Peak:m/z	Relative Intensity
50.88690	0.1
53.03869	0.2
53.79245	0.1
55.01803	0.2
57.03363	0.6
57.09719	0.1
61.02567	0.2
61.02853	3.9
65.03854	0.2
68.99688	0.2
69.03333	1.4
70.06495	1.0
71.04915	0.2
73.02840	1.0
75.81535	0.1
81.03327	0.6
81.45527	0.1
84.04423	0.7
84.08090	0.4
85.02821	6.2
87.04396	0.1
91.03881	1.5
95.04885	0.1
95.08521	0.2
96.90894	0.1
97.02811	2.3
99.04384	0.2
101.44973	0.1
102.37592	0.1
105.03294	0.4
107.04893	0.2
109.02820	0.3
110.07114	0.1
111.04400	0.2
121.02808	4.3
127.03853	0.8
133.02789	0.3
136.19571	0.1
137.02298	4.1
137.03278	0.2
141.06894	0.1
145.04921	0.6
147.04367	0.2
147.08023	0.1
149.02299	2.2
151.03806	0.2
163.06050	0.1
167.03358	0.5
169.06447	0.6
171.06377	0.1
173.05956	0.2
181.04926	0.8
181.06407	0.2
183.02864	0.2
183.63870	0.1
185.77174	0.1
187.07489	0.2
197.05965	2.0
215.06972	1.6
225.05420	0.8
242.05713	1.0
243.06410	0.7
253.04855	0.2
269.03885	0.1
271.05942	100.0
272.06274	4.3
279.15881	0.1
305.16541	0.1
429.13803	0.1
433.10983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04973	1.1
56.64823	0.5
59.03088	0.6
73.02798	0.6
84.04427	54.3
85.02823	0.9
91.05410	9.4
95.04900	5.9
96.08547	0.4
102.05463	2.1
103.05431	0.8
107.04928	0.5
107.56572	0.5
119.04897	28.0
120.08053	0.9
121.06477	1.9
123.04388	49.2
130.04968	11.3
136.07555	100.0
137.07904	0.7
147.03209	0.7
147.04387	24.6
153.04051	10.1
165.05441	74.5
182.08095	44.4
183.08395	0.6
202.08578	14.2
248.09079	7.6
278.88437	0.5
294.09653	6.4
303.71872	0.6
311.12314	58.1
312.12750	1.2
390.75070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20696	0.6
55.05457	4.4
57.03371	4.8
57.07014	25.0
67.05433	4.3
69.06992	4.0
71.04915	0.8
71.08549	17.9
72.48489	0.6
81.06998	5.7
83.08549	4.0
85.10110	10.6
92.10840	0.8
95.08525	10.1
97.10110	1.2
109.10143	5.3
110.95866	0.7
119.95687	0.8
120.96610	3.8
123.11686	1.6
156.97478	0.8
160.24126	0.7
165.54932	0.7
174.98529	5.8
176.99199	7.9
182.99014	0.8
184.07372	1.1
184.15198	0.8
185.04367	0.9
194.98772	0.9
195.00331	3.6
198.98526	3.3
201.00119	1.3
203.05209	8.2
208.21355	0.7
213.00053	5.9
216.99608	1.0
265.00790	10.3
283.01871	25.1
283.04974	0.9
288.23334	0.7
301.01608	7.8
313.27332	25.2
314.27652	1.2
317.87299	0.8
319.02811	0.9
353.26633	3.0
357.04681	1.6
360.09091	0.7
415.22147	32.4
416.22589	0.9
433.23416	4.3
577.27521	2.8
595.28375	100.0
596.28674	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	595.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00252	2.0
53.03892	2.6
54.85400	0.9
55.01809	2.0
55.05450	18.7
57.03369	11.5
57.07003	1.5
57.83190	1.1
59.91638	1.0
60.08079	1.1
65.03855	1.3
66.06855	1.0
67.05427	70.4
67.05785	2.3
69.03354	1.4
69.06988	20.8
70.06480	1.7
71.04900	1.9
79.05407	49.0
81.03329	17.7
81.06974	60.3
83.04893	1.6
83.08536	6.9
86.09630	7.7
91.05405	22.6
92.64596	1.2
93.06969	52.9
95.04897	4.5
95.07964	2.2
95.08537	48.8
96.08882	1.8
97.06467	1.9
98.98397	76.0
99.04393	1.7
105.06977	17.1
107.08540	25.0
109.02821	7.3
109.10097	16.8
116.99441	5.8
117.06962	5.0
119.08549	13.7
121.10110	18.2
122.55333	1.1
123.11640	2.4
124.99961	4.4
127.03881	1.2
131.08545	7.7
133.10063	9.5
135.11613	9.5
137.09558	1.3
145.02811	1.6
145.10130	5.8
147.11679	4.3
149.13234	6.1
155.01018	20.4
159.11685	2.1
161.13231	2.9
163.14822	2.6
173.02025	2.2
173.13194	1.9
175.14813	1.3
177.05359	1.4
184.07306	12.3
187.14882	1.6
206.99384	1.8
210.30630	1.3
223.84215	1.2
225.00438	1.5
243.20963	2.0
261.03610	4.5
261.22092	12.6
317.06180	2.4
317.24704	2.4
319.61127	1.4
335.07437	2.1
335.25729	100.0
336.26114	6.1
415.22290	1.7
535.16028	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	596.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	0.2
56.04972	0.5
57.79541	0.2
61.19053	0.2
63.02276	0.4
65.90633	0.2
67.05444	0.3
69.06973	0.2
70.06512	8.9
71.06859	0.4
72.08060	0.4
79.05422	0.4
81.06976	0.3
84.04411	1.9
84.08076	1.9
85.02825	0.3
86.09629	0.6
89.03836	14.6
91.05405	2.2
95.04873	0.9
97.02834	0.2
102.05495	0.4
103.05388	0.5
106.04109	0.6
110.07102	1.1
117.03331	48.9
119.04888	0.3
119.08561	0.4
120.08067	1.6
121.06444	0.4
124.05180	0.4
126.91790	0.3
129.10197	1.2
134.03607	3.5
135.04401	3.9
145.02826	100.0
146.03159	1.3
149.05954	17.8
151.03885	13.7
151.04950	0.9
158.05905	0.3
161.09583	0.6
163.03877	1.1
177.05437	92.9
178.05742	1.9
184.07397	0.3
186.05461	1.2
329.11969	0.3
486.25928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	9.6
55.01813	15.2
55.05455	47.7
57.03366	10.4
67.05437	74.8
69.03356	50.3
69.06985	29.7
70.06512	27.4
71.08547	28.2
72.08081	9.5
74.87059	5.7
75.43848	6.0
79.05415	48.3
81.03359	49.4
81.06982	77.2
83.04908	12.5
83.08537	36.1
83.53603	5.5
84.04411	13.3
84.08058	15.4
85.02824	100.0
86.09628	36.3
87.00758	47.8
91.05399	37.6
92.10947	14.0
93.06994	53.2
95.04920	12.5
95.08537	41.6
97.02812	52.5
97.06425	8.0
97.10101	36.9
99.04367	6.9
99.08032	15.2
105.01793	15.1
105.06980	36.4
107.04918	7.3
107.08546	38.5
109.02830	45.3
109.06477	9.9
109.10117	34.4
111.04418	11.5
117.03345	14.2
119.08527	29.2
119.21558	6.7
120.08111	10.2
121.10107	15.5
125.09579	15.0
127.03877	41.5
131.08626	7.0
133.10077	29.6
135.11679	26.1
136.75209	6.0
142.03708	6.1
144.33200	5.9
145.02821	43.5
145.04980	7.4
145.10217	6.6
147.11679	10.3
149.06104	7.1
149.13263	10.0
149.20879	7.4
149.25449	7.9
151.11124	12.9
172.86664	6.1
173.11786	9.0
177.05420	63.7
177.12540	6.7
181.04936	28.8
182.05280	10.2
184.07286	28.7
195.13799	28.0
213.14824	41.1
218.43785	6.4
277.21509	52.0
295.22650	28.7
403.15338	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	596.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55286	0.5
53.00253	0.7
53.03889	0.7
55.01804	2.7
55.05453	37.3
57.03371	1.2
57.07015	23.3
57.60936	0.6
59.04933	0.7
67.05080	0.7
67.05427	12.6
69.03346	1.1
69.06989	10.2
69.84208	0.5
71.08183	1.0
71.08546	18.4
78.63659	0.6
79.05410	18.4
79.60643	0.5
81.06512	0.8
81.06976	18.2
83.04901	1.5
83.08542	18.6
85.09701	0.6
85.10110	9.6
86.09632	2.5
91.05379	1.0
95.08530	14.8
97.10103	24.6
98.98382	3.7
105.06948	1.0
107.08551	8.9
109.10133	5.9
123.11628	2.7
124.01579	0.7
124.73061	0.6
124.99973	1.1
125.09595	11.2
135.77173	0.6
143.10640	1.0
145.02837	0.9
155.01019	1.4
168.13826	1.2
177.05420	1.3
184.07390	1.3
186.14842	5.3
199.13274	3.0
217.14362	1.3
239.23660	1.4
282.27765	0.8
313.27307	6.6
402.77914	0.6
455.37247	100.0
456.37750	7.8
595.37164	0.6
596.38165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00256	0.5
55.01800	0.4
58.75607	0.3
61.21629	0.4
63.02277	0.6
65.03858	6.6
67.05421	0.6
70.06494	2.2
76.03061	0.5
77.03837	1.0
79.05409	0.5
80.06171	0.4
82.04122	0.8
85.00249	0.4
85.02821	2.4
89.03822	2.7
90.04651	0.4
91.05404	65.8
92.05719	0.7
92.10342	0.6
95.04897	0.8
103.05383	0.7
105.03284	0.6
106.75471	0.4
107.04897	0.7
108.01978	0.6
108.05707	0.7
117.03345	0.7
118.04079	1.7
119.04890	82.7
120.05241	0.5
129.03316	1.9
129.04314	0.4
130.04100	1.8
132.02005	5.3
133.02774	0.8
135.04405	2.2
136.05121	2.0
138.03088	0.5
145.02817	2.6
146.03517	0.5
147.04381	70.3
148.04761	0.8
149.02319	4.7
150.03133	0.6
153.01747	1.8
157.03928	5.1
163.03818	0.9
164.04665	3.8
171.06447	2.1
172.98706	0.4
174.03064	0.6
175.03865	98.2
176.04353	2.5
177.05437	1.7
179.06992	7.0
181.04916	15.5
181.06400	0.7
192.04118	0.8
207.06485	100.0
208.06799	2.1
212.54593	0.4
271.05896	0.5
273.07288	0.9
366.69162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41166	0.6
56.04970	1.1
60.04424	0.5
62.83390	0.5
63.02295	0.8
64.32802	0.8
65.03860	6.4
70.06509	15.9
74.05990	0.7
74.37303	0.6
75.05534	0.8
77.03806	1.1
79.05409	0.9
82.04100	0.8
84.04430	8.3
84.08074	4.8
85.02808	3.4
86.09615	3.0
89.03827	3.6
91.05404	63.9
92.05722	0.8
95.04919	1.2
97.06466	1.1
102.05434	1.1
103.05423	0.8
104.78182	0.7
105.24539	0.6
107.04901	1.0
108.02042	0.7
110.03575	1.2
110.07139	4.5
111.04428	1.1
117.03354	5.5
118.04053	0.7
119.04894	76.4
120.05182	1.1
129.10182	1.0
130.05034	1.2
132.02011	5.0
134.03647	0.9
135.04378	1.5
136.05168	1.5
136.07544	0.9
138.03114	1.0
142.02551	0.7
145.02826	11.1
146.03125	0.8
147.04388	68.1
149.02292	3.7
149.05923	1.4
151.03838	2.6
157.03973	5.4
163.03856	0.8
164.04634	3.6
171.06511	1.4
175.03871	87.1
175.26711	0.7
176.04231	1.1
177.05458	10.7
178.05722	1.1
179.07065	6.3
181.04918	25.7
192.04143	1.1
199.04283	0.7
207.06493	100.0
208.06805	1.0
243.40939	0.7
294.77643	0.6
411.31351	0.6
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	Unknow
Peak:m/z	Relative Intensity
51.02322	0.6
53.62505	0.3
54.47242	0.4
55.23738	0.4
55.71143	0.4
56.05941	0.4
57.35990	0.3
65.03863	7.5
66.38770	0.4
67.05423	0.8
69.03337	0.6
70.06500	4.4
77.03836	1.9
79.05397	1.1
82.04115	0.6
82.74063	0.4
84.04428	3.1
84.08040	0.7
85.02825	2.6
87.13988	0.5
89.03829	3.3
90.04616	0.5
91.05408	71.8
92.05728	1.0
93.03337	0.5
95.04893	0.9
97.06419	0.7
97.27077	0.4
102.04626	0.7
103.05399	0.6
105.03300	0.9
107.04870	0.7
108.02016	0.7
108.05679	0.6
108.17059	0.4
110.03578	1.6
110.07104	1.8
111.04413	0.4
117.03294	0.5
118.04085	1.9
119.04898	85.8
120.08051	1.8
121.02802	0.6
125.05939	0.8
129.03310	1.1
130.04102	1.0
131.04842	0.5
132.02039	6.3
133.02783	1.0
133.06390	0.4
134.03629	0.5
135.04379	2.9
136.05128	1.9
138.03087	0.6
145.02827	2.5
146.03619	0.9
147.04388	69.8
148.04762	0.8
149.02296	5.3
157.03963	6.6
160.11131	0.5
161.11517	0.6
162.03139	0.6
163.03914	0.8
164.04720	3.0
171.06473	3.4
171.31895	0.5
175.03871	94.8
176.04407	2.3
179.07028	8.6
181.04924	28.4
182.05235	0.8
186.09200	0.5
192.04105	0.9
206.05754	0.6
207.06502	100.0
208.06851	2.0
304.10080	0.5
375.66876	0.5
544.43939	0.5
598.21515	0.5
603.47302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13292	0.5
53.03877	0.6
55.01815	1.1
55.05441	0.8
56.04958	0.7
57.03373	9.7
61.02846	1.4
65.03851	3.4
67.05412	1.2
68.99707	1.6
69.03341	4.0
69.06958	0.6
70.06514	12.9
71.04910	35.0
72.08056	0.7
73.02812	1.3
75.04381	1.1
76.02136	1.1
79.05426	1.0
81.03336	1.2
83.04896	2.7
84.04432	10.2
84.08085	5.8
85.02829	41.6
86.09629	2.6
87.04393	1.2
89.03851	1.2
90.05465	0.9
91.05408	30.6
92.05730	0.7
95.04916	1.5
97.02821	3.8
100.50370	0.7
102.05471	1.4
105.03330	0.9
107.04912	16.8
108.05216	0.7
109.02784	0.8
110.03615	0.8
110.07116	8.9
111.04372	2.6
117.03326	0.8
119.04904	38.5
120.08067	9.0
121.02820	3.7
127.03848	3.3
129.05466	5.9
129.06358	0.8
129.10205	1.0
130.04959	1.1
131.04929	1.3
131.08533	2.7
132.02031	1.5
135.04347	0.9
136.07544	1.4
141.06978	1.2
142.03200	1.5
145.02800	5.6
147.04398	28.3
147.06450	1.0
147.08054	1.0
149.02321	71.8
153.01805	11.4
153.07152	0.9
157.03990	2.3
158.02666	0.9
159.04385	1.2
163.03905	1.1
164.04630	1.2
166.08664	0.8
167.03348	0.9
167.06932	0.6
169.06418	3.5
171.06503	1.2
175.03879	36.1
177.05420	2.9
178.45845	0.6
179.06992	3.0
181.04947	14.0
181.06372	1.6
182.05257	1.0
183.02866	0.9
186.09137	2.5
187.07484	0.8
191.81416	0.8
197.05956	5.1
207.06497	45.4
208.06827	2.5
209.09320	0.8
213.05536	0.7
215.07001	92.4
216.07364	1.3
227.12833	0.8
243.06480	100.0
244.06801	1.3
253.04919	1.0
259.11261	0.8
266.79517	0.7
271.05966	82.1
272.06198	1.6
283.08652	0.9
289.07016	30.2
299.09158	1.0
367.10739	0.8
427.12650	0.8
458.48221	0.7
598.21704	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	0.8
53.03888	1.5
55.01804	1.8
55.05194	1.0
55.05453	26.3
57.03106	0.5
57.03373	11.0
57.07010	3.5
65.03860	2.9
67.05428	59.3
69.03339	0.9
69.06988	25.1
71.04899	1.7
71.08557	0.9
75.04388	0.5
79.05406	15.2
81.03333	8.1
81.06975	60.5
82.07283	0.5
83.04876	2.0
83.08538	10.3
85.02805	2.0
85.06427	1.5
91.05402	10.4
93.06971	16.1
95.04877	2.0
95.08534	38.2
96.08907	0.5
97.06441	3.1
97.10121	5.4
98.98397	49.4
99.04351	0.7
99.08018	0.6
105.06977	7.8
107.08536	8.9
109.02837	5.5
109.06466	0.4
109.10097	13.8
111.08047	0.6
111.11604	0.4
113.62446	0.4
116.99448	2.3
117.06942	0.4
119.08527	4.8
121.10108	6.9
123.11657	5.7
127.03817	0.6
128.15807	0.4
133.10094	4.6
135.11658	4.0
137.09642	0.5
137.13210	2.0
147.11668	2.9
149.13208	2.6
151.14732	0.5
155.01013	20.9
161.13231	2.5
163.05899	0.7
163.14763	1.6
169.79898	0.4
173.02057	1.9
175.14801	1.6
177.16371	0.5
184.07318	0.6
188.69713	0.4
189.16281	0.8
194.93483	0.5
199.32506	0.4
245.22586	3.2
261.03503	1.4
263.23685	7.0
270.69363	0.4
317.06177	3.4
319.26205	1.0
335.07251	2.6
337.27295	100.0
338.27588	5.5
407.27496	0.6
409.84006	0.5
425.28894	1.9
561.28241	2.1
571.55371	0.4
575.08868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3032
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03877	1.2
55.01811	0.9
55.05448	28.1
57.03372	13.3
57.07007	3.8
62.58204	0.6
65.03857	1.5
67.05424	76.0
68.05745	0.7
69.03339	1.0
69.06606	1.1
69.06984	31.9
71.04901	2.8
71.08547	1.4
72.98325	0.6
75.72037	0.6
79.05407	19.9
81.03327	11.4
81.06968	67.9
83.04889	1.6
83.08531	13.2
85.02817	1.0
91.05398	11.8
93.06432	1.3
93.06970	20.2
93.07521	1.3
95.04891	2.9
95.08525	50.9
96.08858	1.0
97.06487	2.8
97.10088	6.5
98.98390	72.7
99.04364	1.0
99.07986	0.9
105.06960	7.7
107.08532	12.8
109.02820	7.4
109.10095	19.6
116.99448	2.6
119.08556	5.5
121.10091	9.1
123.11681	6.9
127.03842	0.7
133.10074	5.5
135.11662	4.7
137.13219	3.0
147.11642	2.8
149.13245	1.3
151.14813	1.6
155.01001	26.9
161.13255	3.0
163.14819	1.4
173.02072	1.7
175.14748	1.2
177.16400	0.8
183.75394	0.7
225.01508	0.8
245.22650	5.2
261.03616	1.6
263.23633	9.4
317.06308	5.5
319.26364	1.1
335.07257	4.3
337.27283	100.0
338.27597	5.9
392.87659	0.7
425.28891	1.1
561.28082	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	598.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	2.4
55.01811	0.7
55.05442	0.6
57.03370	2.0
57.07011	2.4
60.05580	0.2
67.05419	1.0
69.03349	8.2
69.06983	0.6
71.01276	1.5
71.04908	1.9
71.08543	1.7
71.21329	0.1
79.05379	0.2
81.03333	7.2
81.06960	1.4
83.08533	0.6
85.02827	14.8
85.10091	0.8
86.09633	0.3
92.10188	0.1
92.63992	0.1
95.08531	1.6
97.02821	100.0
98.03133	1.2
99.04387	2.9
109.02826	5.1
109.03529	0.3
109.10094	0.6
127.02930	0.3
127.03872	8.6
145.04941	4.2
184.07295	0.9
239.23695	0.2
257.25140	0.2
261.81219	0.1
274.11578	0.2
317.08655	0.2
389.18555	0.2
401.28918	9.8
402.29028	0.4
469.74979	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	598.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72895	4.0
53.53071	3.2
54.35383	3.1
54.75275	3.4
55.05442	4.0
57.07009	67.1
67.05412	19.8
68.57862	3.2
69.03358	8.5
69.06983	8.3
71.08542	46.9
74.46747	3.1
81.03322	8.3
81.06966	29.2
83.08522	6.6
85.02814	20.4
85.10100	17.5
86.09619	8.1
90.69878	3.8
95.08532	40.4
97.02815	100.0
97.10095	6.1
99.04373	35.5
104.10661	6.0
109.02829	15.7
109.10126	8.3
120.17800	4.4
123.11558	4.2
124.99995	6.3
127.03887	28.6
145.04909	26.0
149.02293	16.7
157.27716	4.3
172.95229	17.3
184.07277	7.0
190.96170	16.1
210.15398	4.7
239.23662	19.0
321.22598	6.1
401.28940	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	598.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	3.9
53.03880	1.4
54.31505	1.0
54.81396	1.1
55.01814	10.4
55.05453	11.5
57.03372	10.2
57.07011	77.8
58.44323	0.9
58.92170	0.9
61.02854	6.0
61.72403	1.0
67.05430	20.0
69.03349	100.0
69.06993	16.7
70.03670	1.7
71.01241	1.0
71.04898	4.1
71.07283	1.0
71.08546	63.2
72.60355	0.9
73.02825	6.0
73.87859	0.9
79.05393	1.4
81.03345	9.0
81.06969	34.6
83.01283	1.3
83.08535	20.8
85.02825	69.7
85.10102	33.5
86.09623	7.2
87.04367	1.1
90.72437	1.0
93.06993	2.3
95.08532	49.4
96.08854	1.6
97.02815	33.4
97.10098	8.9
98.98404	1.7
99.04379	10.9
99.11675	1.2
101.02321	7.5
104.10677	1.2
105.06992	1.4
109.02852	10.1
109.10107	23.1
110.07112	6.0
111.11674	1.9
115.03848	1.1
123.11682	9.1
124.99957	2.3
127.03872	65.5
137.13220	4.3
141.64622	1.1
145.04916	16.6
180.08603	1.3
184.07303	5.0
221.22630	1.3
228.14972	1.0
239.23647	60.0
240.24084	1.6
257.24686	1.4
323.25720	1.1
344.27527	1.2
383.27988	12.5
401.28906	74.1
402.29160	5.0
536.12231	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03870	4.1
55.01797	17.3
55.05448	14.6
57.03360	21.1
57.06769	4.7
57.07008	75.0
59.83154	3.4
64.33157	3.8
67.05408	20.6
69.03347	77.8
69.06972	15.4
71.08547	52.3
81.03325	64.8
81.06974	29.4
83.08518	27.8
85.02824	95.1
85.10106	30.4
86.09604	7.6
89.10295	3.8
93.06929	4.2
95.08528	38.8
97.02813	86.9
97.10098	6.7
99.04401	21.8
104.10675	32.0
109.02791	30.6
109.10069	16.5
111.06096	3.8
123.11644	8.0
127.03883	69.0
145.04935	29.9
152.21526	5.0
198.96626	6.0
239.23677	24.5
248.84976	4.1
332.18073	5.0
383.27838	47.4
384.27994	4.7
401.28940	100.0
402.29178	5.6
541.84509	5.1
619.78943	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	598.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93435	2.9
53.03880	9.6
54.81404	5.2
55.01797	22.8
55.05435	8.1
57.03363	4.1
57.07005	47.3
57.97749	3.4
64.75717	3.8
67.05410	19.6
69.03352	34.0
69.06966	16.8
71.04899	6.8
71.08554	40.6
73.02830	15.5
74.71658	3.0
75.30464	3.4
78.11842	4.3
81.03336	43.7
81.06966	21.8
83.08529	5.8
85.02814	20.9
85.10091	14.2
86.09612	15.8
93.06987	4.7
93.33231	3.6
95.08535	27.7
97.02827	42.1
97.10090	4.5
99.04384	71.9
107.08570	5.5
109.02825	52.4
109.10128	5.9
124.99908	6.7
126.80392	3.6
127.03872	100.0
128.04146	3.9
145.04938	14.5
177.71722	4.4
183.45645	3.7
184.07256	8.7
199.07507	4.7
239.23621	17.3
241.08406	5.1
259.09515	7.8
271.09589	24.1
272.09851	8.1
273.11105	8.9
274.11368	5.6
279.41434	4.0
383.27725	26.8
401.28827	53.9
420.89130	4.4
588.69965	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	598.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53897	1.0
53.00222	1.7
54.82011	1.1
55.05442	5.7
57.06739	2.6
57.07011	58.1
67.05414	2.3
69.06987	5.5
71.08544	39.1
73.06480	9.1
81.06974	2.0
83.08534	6.6
85.10101	25.4
87.04383	6.8
89.05954	100.0
97.10101	7.3
99.11664	1.6
107.07006	4.6
111.11645	1.4
117.09090	5.6
133.08578	30.4
155.11580	1.4
168.64365	1.5
173.67383	1.3
177.11218	13.0
179.16159	1.1
197.80957	1.4
218.15903	1.2
221.13771	2.1
283.17432	1.6
299.29340	6.6
343.32120	5.9
347.63712	1.3
371.22675	8.3
477.52914	1.3
537.43555	1.5
581.46051	17.4
598.48474	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	599.3187
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
52.32844	0.8
53.00230	1.6
53.03881	1.4
55.05196	1.2
55.05453	34.4
57.03369	11.9
57.07015	13.5
65.03841	1.2
66.61929	1.1
67.05426	27.3
68.05733	0.9
69.03347	1.4
69.06988	45.0
70.06505	1.4
71.08540	4.7
73.28191	1.0
79.05407	7.9
81.03355	6.9
81.06977	26.2
83.08096	1.6
83.08543	27.8
85.02805	1.3
86.09600	1.2
93.06972	12.9
95.08532	26.3
97.06491	2.4
97.10108	15.1
98.98399	62.9
105.06983	1.5
107.08556	8.3
109.02813	6.0
109.10116	11.1
111.08024	1.8
111.11645	3.7
116.99476	1.4
121.10128	10.0
123.11658	4.2
125.65897	1.0
127.03843	1.3
135.11652	8.5
149.13226	1.8
155.01003	27.7
173.02032	2.1
184.07285	2.3
247.24181	1.2
265.25269	6.8
265.37589	1.0
317.06329	2.1
335.07333	1.3
339.28894	100.0
340.29214	6.6
356.96515	1.1
419.25107	1.1
427.30777	1.3
563.29144	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46191	1.0
53.00241	1.8
55.05230	1.7
55.05453	32.0
57.03375	11.1
57.07010	11.7
67.05426	17.6
69.06986	39.0
71.04881	1.1
71.08540	5.5
77.86485	1.4
79.05413	8.8
81.03330	6.7
81.06974	20.8
83.08535	23.8
84.16270	1.3
86.09635	1.7
92.10938	4.3
93.06975	9.6
95.08537	20.6
97.10114	11.6
98.98397	49.5
107.08539	6.8
109.02811	6.6
109.10089	9.6
111.11682	2.2
112.07236	1.3
121.10078	8.6
122.09585	12.4
135.11653	6.8
149.13235	2.0
155.01021	24.2
164.52879	1.4
173.02002	1.5
184.07224	2.6
189.12468	1.3
256.72968	1.4
265.25043	6.3
317.06308	1.9
339.28894	100.0
340.29352	2.0
538.19165	7.6
563.29297	2.6
599.10980	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	599.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02309	0.1
57.06995	0.4
67.05437	0.2
69.06973	0.8
70.45347	0.2
71.08543	0.3
74.77063	0.1
79.05405	0.3
81.06952	0.7
89.27562	0.2
94.04101	1.5
95.08471	0.2
105.06951	0.3
107.08521	0.4
108.32623	0.2
109.10076	0.7
120.72538	0.2
122.03586	5.8
133.10081	0.3
135.11606	0.3
136.22839	0.2
137.05948	100.0
138.06290	2.2
141.12685	0.7
158.15346	0.7
170.15350	1.0
182.15398	1.5
194.72595	0.2
202.09764	0.2
230.32324	0.2
252.71591	0.2
294.20581	1.5
306.20532	2.2
532.55432	0.2
552.22186	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	601.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29256	0.1
56.04970	1.2
59.49244	0.1
70.06520	0.2
73.46960	0.2
79.05402	0.7
84.04425	31.0
84.08035	0.3
85.02859	0.3
91.05412	0.8
93.06960	0.8
102.05483	0.6
103.04736	0.2
103.05402	5.7
107.04890	2.9
111.32361	0.2
120.08054	100.0
121.06448	0.2
121.08412	2.4
123.69362	0.2
130.04968	5.2
131.04883	4.6
136.07547	1.0
137.99559	0.2
146.06000	0.7
149.05965	1.7
166.08595	27.0
167.08955	0.4
180.12436	0.2
182.34399	0.2
186.09090	7.5
186.10739	0.3
193.26709	0.2
232.09625	4.5
277.11655	0.2
278.10141	3.9
295.12820	25.5
296.13260	0.4
485.68219	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	601.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	1.2
56.04964	1.0
56.96494	0.3
58.06264	0.3
58.06530	4.5
60.04453	1.2
61.01059	0.2
65.03869	0.4
67.05414	0.9
68.04934	0.5
69.03339	1.1
70.02865	0.3
70.06508	33.2
72.08071	1.0
73.06202	0.2
74.05984	0.4
79.05418	0.4
81.03334	0.6
82.06490	1.9
84.04436	2.5
84.08064	100.0
85.02824	1.6
85.03947	0.5
85.08401	0.9
86.09620	0.9
87.05490	0.2
88.03915	0.5
91.05400	3.0
95.04899	0.6
96.08031	2.1
97.02818	0.5
97.06458	0.3
97.07580	0.3
98.05956	0.3
98.09654	0.2
100.07555	2.7
101.07063	0.3
102.05462	0.3
102.09076	0.3
106.06479	0.8
107.04887	0.3
108.08076	0.2
109.02823	0.5
110.05991	0.3
110.07121	2.0
110.09628	1.1
112.07559	0.4
115.05009	1.2
115.08669	0.4
116.07051	3.7
117.03323	0.9
119.04900	2.6
120.08065	1.2
122.09628	0.3
124.07540	1.8
125.07043	0.6
127.03857	0.4
127.12276	9.0
128.07091	0.3
129.10214	1.0
130.06494	2.4
130.08611	0.9
132.08049	1.8
133.02795	0.3
136.07549	1.4
137.02304	0.4
138.09085	0.4
142.08614	6.0
145.02875	2.1
147.04387	1.7
149.02277	1.6
151.03870	1.4
152.10628	0.4
153.01811	2.9
156.10213	1.4
159.09160	1.3
161.09688	0.3
167.07021	0.3
169.07668	0.5
170.05978	0.9
170.11725	4.4
173.02127	0.4
175.03880	1.6
177.05418	1.4
181.04901	1.8
182.05321	0.4
183.03023	0.3
184.09656	0.4
185.07277	0.3
185.09167	1.5
187.08653	0.5
187.14418	1.1
196.06032	1.1
197.06067	0.3
199.03619	0.4
199.07410	0.3
205.09428	0.3
207.06525	2.0
213.08833	1.0
213.12292	11.0
215.07034	4.1
220.11789	1.2
243.06400	2.2
244.11804	1.4
246.12444	1.0
253.05011	1.1
253.07428	0.4
255.06519	3.8
255.09016	0.6
256.06827	1.5
271.05951	43.5
272.06274	0.9
274.12152	0.4
281.06949	0.5
283.06036	1.3
286.12817	1.3
311.09039	1.6
313.07050	0.3
314.15833	2.0
328.15060	1.6
331.18619	1.4
346.43710	0.3
380.14951	1.1
389.14664	0.4
425.06784	1.3
544.18634	0.4
556.17761	0.4
584.21008	2.0
601.23804	53.0
602.24084	2.9
618.81104	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	601.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00224	2.2
55.05436	4.0
66.67442	2.8
68.02433	2.7
69.03332	4.6
69.06966	11.3
70.06511	6.7
71.04874	4.4
72.59641	2.5
81.06939	3.8
83.25121	2.9
83.59613	2.5
84.04438	11.1
84.08060	15.9
85.02817	18.1
86.09614	13.8
93.06958	4.0
94.06494	12.6
95.01168	3.0
97.01815	3.0
97.02831	30.7
106.06503	3.0
107.08531	4.1
116.98553	4.5
119.08530	5.7
121.10107	4.8
121.53943	2.9
122.06025	24.4
129.10179	12.2
133.10069	4.4
136.07529	18.2
136.47031	2.8
139.03859	3.0
140.07062	31.3
142.50781	2.9
146.06015	27.5
148.07562	36.3
164.07034	4.9
166.08661	4.0
174.05502	13.3
175.11923	4.4
176.07019	14.5
178.21950	3.1
184.07335	4.5
190.04929	13.7
191.05589	3.5
192.06717	2.6
214.35371	3.0
225.48718	3.0
235.12267	4.2
237.02576	3.1
237.10150	6.8
238.10907	14.7
239.11685	3.8
245.12155	3.3
249.10233	13.8
250.10954	4.3
251.11685	19.4
260.20624	4.5
263.11780	21.5
264.12506	3.3
265.13263	51.5
271.14343	5.4
279.11227	100.0
280.11636	3.2
285.12152	3.3
287.13849	6.3
289.21478	3.1
291.11166	12.3
293.12735	4.4
295.10648	5.2
296.11502	3.6
297.12302	62.2
298.13159	3.1
309.12271	56.7
310.13135	25.5
312.79288	3.4
313.11633	6.9
319.10980	5.5
320.11258	3.1
321.12210	11.1
331.12964	3.7
337.11676	50.2
338.12582	21.1
339.13376	39.7
460.18564	33.0
478.19604	50.7
479.19934	3.2
502.71335	3.3
547.21283	3.4
601.26746	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	601.3344
Annotation	CHEMBL3780056
Peak:m/z	Relative Intensity
51.28586	0.3
53.00229	0.8
53.03874	0.8
55.05454	6.0
57.03373	10.5
57.07011	52.2
58.07333	0.7
67.05083	0.3
67.05431	8.8
69.03339	0.7
69.06985	8.4
70.44703	0.3
71.04897	0.6
71.08546	28.9
72.08880	0.6
75.04394	0.4
79.05399	0.8
81.03335	8.0
81.06525	0.3
81.06976	12.3
83.08527	6.4
85.02824	1.6
85.10104	15.5
89.05943	0.8
92.10872	1.1
93.06949	0.6
95.08531	16.5
97.10107	4.7
98.98395	49.4
99.04382	1.8
99.11646	0.6
108.53365	0.4
109.02821	6.5
109.10105	7.1
111.11658	0.6
116.99453	1.9
123.11662	2.8
124.09329	0.3
126.80743	0.5
127.03867	2.0
128.04164	0.4
137.13226	0.4
145.04968	0.6
151.14734	0.4
155.01015	23.9
163.06039	0.4
173.02077	1.7
257.19427	0.4
261.03662	1.4
264.90540	0.4
267.26703	2.1
317.06284	3.6
335.07281	1.8
341.30423	100.0
342.30789	6.7
385.28506	0.4
389.25995	0.4
421.27057	4.6
429.31854	2.4
565.31293	3.2
569.34351	0.4
583.31952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66100	0.4
53.00245	0.5
53.03883	2.0
55.01807	6.3
55.05250	0.4
55.05453	5.4
57.03373	14.7
59.04932	1.1
61.02855	11.4
67.05415	1.9
69.03346	32.5
69.06984	11.4
70.06509	3.1
71.01270	3.2
71.04906	2.3
72.79050	0.5
73.02830	32.8
74.19449	0.4
79.05404	2.3
81.03338	8.2
81.06948	0.8
83.04895	0.8
83.08532	0.6
84.04409	0.9
84.08060	0.6
85.02822	100.0
86.03161	0.8
87.04411	4.7
91.03881	3.2
91.05401	1.9
91.55374	0.5
95.04900	0.7
95.08519	0.6
97.02818	51.2
98.03142	0.6
99.04385	3.4
100.11174	4.0
101.02364	0.6
101.11523	1.0
103.03887	2.3
105.06945	1.8
107.04882	2.0
107.08599	0.5
109.02828	9.5
109.10101	2.7
111.04395	2.0
111.11633	2.1
112.28715	0.5
115.03874	12.5
126.38243	0.4
127.03873	25.3
128.07013	0.5
133.04927	13.7
133.10074	1.1
137.09550	4.2
145.04924	28.9
147.08061	0.9
161.09593	6.2
163.05975	11.3
165.09065	3.5
179.78445	0.5
182.15359	3.0
183.15701	2.3
184.15990	0.5
184.62639	0.5
189.09108	0.5
193.04886	0.7
207.10143	2.5
210.14890	1.0
211.15178	2.4
217.06924	0.6
223.05981	3.8
225.14905	0.5
241.07034	2.7
259.08038	6.8
277.09164	2.0
277.45392	0.4
289.09033	0.5
295.10144	5.7
314.89688	0.5
325.11087	4.5
328.99542	0.5
432.90555	0.5
493.75549	0.5
565.38330	0.6
583.39203	1.0
601.40851	3.4
602.40503	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37475	1.2
51.45020	1.6
53.03888	1.9
54.06611	1.1
55.01809	7.1
55.05453	6.5
55.69790	1.2
56.04981	1.7
57.03371	19.6
58.10284	1.2
61.02863	13.9
67.05424	1.4
69.03349	35.1
69.06990	20.9
70.06510	23.4
71.01269	2.3
71.04926	2.8
72.08065	1.7
73.02822	35.0
73.44141	1.3
81.03332	9.0
81.06969	3.2
83.04915	1.4
84.04443	6.3
85.02829	100.0
85.28839	1.4
86.09632	3.0
86.87562	1.3
87.04408	6.4
91.03880	3.4
91.05410	6.0
93.06979	3.1
94.12035	1.5
95.08547	2.5
97.02822	53.3
98.97503	1.9
99.04380	6.2
103.03881	2.5
105.06963	2.9
107.08554	3.5
109.02843	10.5
109.10123	2.0
110.07127	5.8
111.04402	2.0
111.11665	5.8
111.34479	1.4
115.03872	19.8
119.08572	2.2
120.08070	6.1
127.03870	33.3
133.04942	20.3
135.07953	1.8
145.04944	26.9
163.06026	7.4
217.07169	1.7
218.53329	1.6
223.05878	1.5
237.02876	1.7
241.06992	1.7
259.08005	10.6
295.10028	3.4
301.17853	2.5
319.19067	2.1
325.11246	2.3
489.34641	1.6
608.46112	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98949	0.5
53.03880	2.7
54.21687	0.4
54.81623	0.5
55.01811	10.6
55.05446	5.1
56.04964	2.2
57.03098	0.8
57.03370	18.1
58.98571	0.4
59.04929	2.7
60.04440	0.5
61.01071	2.2
61.02853	29.2
65.87028	0.4
67.05433	0.8
69.03347	38.8
69.06606	0.7
69.06985	20.9
70.06135	1.0
70.06508	20.8
71.01257	3.9
71.04906	2.3
73.02827	38.9
76.56084	0.5
78.76476	0.4
81.03331	10.1
81.06969	1.1
83.01260	0.5
83.04894	0.8
84.04417	2.8
84.08047	0.6
85.02824	100.0
86.03151	1.1
86.09631	0.8
87.04386	3.9
91.03876	18.6
91.05413	1.0
93.06959	0.8
95.04960	0.5
95.08516	0.7
96.87199	0.5
97.02818	59.3
97.06457	0.6
99.04379	6.5
101.02289	0.8
102.05483	0.6
103.03868	4.7
103.05446	0.7
109.02837	8.9
109.10099	0.8
110.07101	2.5
111.11682	6.9
115.03860	17.4
120.08046	3.4
127.03865	23.6
128.46291	0.6
133.04930	14.8
134.55402	0.5
139.03856	0.6
145.04929	23.7
163.05978	16.2
199.06087	0.7
217.07201	0.5
219.33092	0.6
223.05980	2.7
225.14853	0.6
241.07120	4.1
243.15880	1.0
259.08011	9.1
277.09155	0.7
295.10196	8.0
325.11240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	13.5
54.34885	1.5
55.01815	13.8
55.05453	3.0
56.04979	2.7
57.03369	10.0
61.02850	8.4
64.33397	2.1
67.05436	3.4
67.41830	1.6
68.99706	2.7
69.03008	2.2
69.03352	42.7
69.06995	3.3
70.06528	12.4
70.57185	1.4
71.01259	1.6
71.04887	6.5
72.08067	2.6
73.02823	15.3
79.05408	2.7
81.03341	42.5
81.06973	10.0
84.04419	6.7
84.08068	10.9
85.02825	100.0
86.09624	4.2
87.00753	53.0
91.03878	2.9
91.05405	7.9
93.06971	11.2
95.08558	12.3
97.02823	59.4
97.10099	2.7
99.04389	18.1
105.01814	41.8
105.06976	14.6
107.08531	11.3
108.04375	2.5
109.02839	44.0
109.10114	10.7
110.07138	2.8
115.03883	2.7
115.54967	1.6
117.01832	4.2
117.06987	2.3
119.08533	8.1
120.08057	1.9
121.10099	7.6
126.05453	2.3
127.03873	64.3
127.04784	3.2
127.36530	2.0
129.00970	2.0
129.01830	4.3
129.10187	9.3
131.08516	7.4
132.96240	2.0
133.10094	8.2
141.01814	2.2
145.04962	20.0
145.10056	2.8
147.11652	9.7
149.13254	2.7
159.02878	21.8
159.11670	13.4
161.13219	7.0
167.81306	1.8
173.13226	9.3
175.14760	2.8
184.07382	3.5
185.13281	3.0
199.14803	2.5
210.16792	1.8
213.03690	3.0
227.17848	1.8
231.04979	19.5
234.15868	1.7
249.06064	3.9
255.20953	32.8
273.22153	30.3
301.21469	16.8
319.22580	11.5
337.23822	3.2
487.95013	2.1
549.26819	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	602.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62292	1.3
51.13771	1.3
55.05441	3.5
58.06531	2.2
60.08083	10.8
66.27987	1.2
67.05424	3.7
68.55547	1.3
69.06985	1.7
71.07282	11.0
75.63939	1.5
79.05396	2.2
81.06950	3.4
83.08527	1.6
86.09622	53.6
92.10825	1.8
95.08532	3.2
102.09098	2.9
104.10678	100.0
124.99947	8.1
158.02647	2.0
174.98497	8.5
182.98973	12.7
184.07344	3.2
201.00049	40.4
208.92917	2.2
216.99539	1.7
239.01593	11.1
240.09843	6.9
243.01059	9.1
268.00381	2.7
284.07315	7.3
308.80850	1.6
321.22665	8.3
339.23788	2.2
418.86896	1.5
494.50519	1.8
542.31580	2.7
602.33044	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	602.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54401	0.9
55.05445	2.0
58.17558	1.0
60.08094	10.4
67.05423	1.8
69.07005	2.0
71.07271	4.6
78.73318	0.9
79.05357	1.0
81.06953	1.9
83.08542	1.6
86.09628	21.8
95.08540	2.0
104.10681	100.0
124.99970	1.2
128.76004	1.0
152.80379	1.1
174.98503	2.5
182.98996	5.9
184.07326	2.6
201.00041	19.9
239.01590	6.4
243.01015	4.2
284.07379	3.9
300.78458	1.0
307.20404	1.0
321.22623	4.1
339.23837	1.6
542.31390	2.2
602.32739	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	603.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	1.3
56.04974	1.1
60.05564	0.5
64.15587	0.2
66.86216	0.3
69.06962	0.4
70.06506	7.1
70.06855	0.6
72.08067	8.0
74.02353	4.9
78.77551	0.2
79.91986	0.3
84.04429	16.3
84.08051	1.6
85.02831	1.4
86.09630	12.9
87.05511	1.2
88.03922	0.6
91.05403	1.6
97.02842	0.5
98.05935	0.3
98.97516	0.4
101.18510	0.3
102.05483	11.3
105.08375	0.2
109.02785	0.3
109.95682	0.2
110.07123	0.5
111.78949	0.3
112.08707	0.4
113.07090	0.6
113.56439	0.3
116.07054	1.2
116.98555	0.5
119.04880	1.9
120.08060	0.6
121.06528	0.3
123.04376	1.4
127.03881	4.6
129.06575	1.4
129.10179	0.5
130.04951	0.7
130.06502	1.6
132.08034	1.3
133.06064	4.3
134.99580	0.4
136.06136	2.6
136.07553	4.1
138.09125	0.4
141.06592	1.1
143.07277	0.7
144.08066	100.0
145.08401	2.8
146.06020	0.6
147.04352	1.0
152.10666	0.4
154.06488	0.4
155.28198	0.3
156.08141	0.4
156.10210	0.5
165.05450	1.8
169.07582	1.0
170.06331	0.3
170.07916	0.3
170.11737	1.7
171.09140	3.1
173.10664	0.7
175.11861	1.6
181.04918	1.1
182.08141	0.4
183.11267	1.8
188.07065	0.4
189.07617	0.3
197.12843	5.4
201.00705	2.8
201.12328	1.5
202.08713	2.4
202.10234	0.3
215.13881	8.6
217.09689	25.4
219.01691	0.5
225.12276	2.2
229.11850	0.7
232.12877	1.8
232.74080	0.4
237.02765	0.6
243.13345	2.3
298.09714	0.3
354.16464	1.7
372.17688	2.8
405.01108	0.3
422.15552	0.4
425.23975	0.4
429.56772	0.3
443.24634	0.4
471.24442	1.5
501.09256	0.4
585.21777	0.4
603.12799	1.6
603.21497	0.3
622.80865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	2.1
56.04974	5.4
63.57604	0.8
65.80191	0.8
69.03343	1.0
69.06955	0.9
69.94022	0.8
70.06508	33.7
71.06810	1.2
72.08077	14.0
77.50587	1.0
79.56194	0.8
81.03365	1.1
83.06016	5.4
84.04430	80.4
84.08069	11.1
85.02827	6.3
86.06010	1.0
86.09620	10.3
88.04628	0.9
91.05409	16.5
95.04888	5.5
97.02829	0.9
98.97517	3.4
102.05482	7.3
107.04897	5.6
109.48797	0.9
110.07155	8.0
112.08677	1.1
116.98581	0.8
119.04889	29.6
120.08051	1.5
121.06456	1.3
123.04386	39.5
127.03909	1.3
129.06595	1.0
129.10199	4.0
130.04967	16.9
133.06085	1.4
134.05965	1.6
136.07555	100.0
137.05937	1.3
144.04448	0.9
146.06029	2.1
147.04382	17.1
151.03922	1.0
154.89384	1.0
165.05447	43.5
166.04947	1.3
167.08165	4.5
168.06543	1.1
181.04900	1.1
182.08102	22.4
184.07533	5.6
195.07631	1.6
197.12785	1.4
200.07028	1.4
201.00763	1.5
201.10252	8.2
202.08607	54.3
202.10487	2.2
203.09030	1.0
213.12111	1.3
215.13881	1.1
219.01666	1.2
223.07175	5.2
237.02740	3.6
239.06950	2.2
241.08176	6.4
244.10890	1.2
247.10767	8.6
248.09131	6.9
261.08334	1.2
269.08078	1.3
279.07446	5.0
293.08017	1.4
293.11081	1.5
297.08170	1.1
311.12820	1.2
313.34689	1.0
321.08563	3.7
358.13785	4.9
376.14938	11.6
404.14432	5.0
422.15549	13.1
567.20746	1.2
585.21765	17.3
586.20923	2.1
603.14459	1.3
603.22961	16.0
604.22437	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19864	2.4
53.61662	2.5
55.88441	2.7
67.05468	3.0
70.06513	3.2
74.81472	2.5
79.66153	2.7
80.38069	3.1
81.06965	3.9
84.04394	2.7
84.08028	2.4
85.02829	4.5
89.35343	2.5
93.06967	4.0
95.08524	4.2
97.02802	3.6
97.31187	2.4
108.08018	3.7
116.98550	3.4
120.08034	4.0
121.93141	3.0
124.07539	38.9
127.03889	6.0
134.05891	3.7
136.07544	64.5
146.05981	11.0
148.07535	30.8
159.11716	2.9
164.07021	97.5
165.07625	3.3
166.08583	34.9
174.05406	2.8
176.06992	13.1
184.07213	3.4
190.04884	4.2
223.12216	5.3
224.13029	3.6
225.13673	4.5
237.10182	4.9
238.10867	11.2
239.11685	28.2
250.10805	4.1
251.11707	20.4
252.12401	4.3
253.13416	9.7
263.11737	6.2
265.13385	31.3
269.13004	5.9
271.14349	21.7
273.15601	3.2
277.13287	4.7
279.03738	4.0
279.11246	81.9
281.12729	3.7
283.14117	5.9
293.12784	11.3
297.12289	34.6
298.13080	4.0
309.12180	17.3
310.12918	13.3
311.13803	100.0
312.14462	18.5
313.15247	46.2
321.11481	13.5
337.11823	31.0
338.12500	12.8
339.13403	44.4
340.13498	3.6
388.12286	3.4
436.22125	79.4
437.22830	3.9
460.18604	22.6
462.19882	16.8
481.08066	3.7
559.28687	5.6
585.26813	32.8
603.27197	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	603.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92443	1.0
53.51576	0.8
54.52210	0.9
54.81963	0.9
55.05449	5.8
56.04965	6.7
57.31200	1.0
58.13529	0.8
60.04460	0.8
63.59792	1.0
68.97774	0.9
70.06183	1.5
70.06515	21.9
72.08074	50.7
74.02348	1.9
76.56509	1.2
77.03296	1.1
80.26576	1.1
83.06020	1.5
84.04434	100.0
84.08067	6.2
85.02823	6.1
86.09632	84.0
87.05512	7.0
88.03917	2.3
90.88264	1.0
91.05412	6.7
95.04889	1.9
95.06021	1.0
96.04421	1.1
99.90430	1.1
101.07066	1.4
102.05482	78.4
105.05739	1.0
107.04896	2.4
110.07112	7.1
113.07049	1.6
115.08604	1.5
116.03382	1.2
116.07070	1.2
116.98569	1.2
119.04922	9.6
120.08075	2.2
123.04392	10.8
127.03843	1.3
129.06540	9.4
129.10226	1.2
130.04962	7.2
130.06541	1.1
133.06056	25.9
134.99651	1.3
136.07558	29.6
138.09146	1.9
139.50281	1.1
141.06532	7.6
142.04958	1.5
146.05965	1.5
146.99651	1.1
147.04405	6.9
152.10698	5.7
155.11806	1.1
156.10196	1.7
161.24362	1.0
165.05473	11.5
170.11755	7.0
181.04900	5.5
182.08105	7.2
183.11301	14.4
184.07449	1.2
195.07567	1.3
197.12833	30.9
201.00706	2.6
201.10349	2.0
201.12318	9.0
202.08598	15.1
215.10524	1.8
215.13892	57.1
219.01762	1.7
225.12231	11.8
226.10156	1.2
229.11786	6.8
232.12881	11.7
234.61855	1.4
237.02773	1.9
241.08069	1.3
243.13351	13.5
248.09114	2.5
261.08530	1.7
307.98126	1.3
309.08475	1.7
343.16098	2.0
354.16580	13.7
361.17200	1.7
372.17535	24.4
376.15265	2.0
407.23166	1.6
422.15341	2.2
425.23950	4.0
443.24591	1.8
453.23431	6.6
471.24353	10.1
585.21674	6.8
603.12415	7.2
603.21704	2.3
603.30322	2.5
604.13239	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74746	4.6
55.05441	7.9
57.07018	21.5
66.24551	5.4
67.05418	10.2
69.06982	8.6
69.09253	4.7
71.08562	5.8
81.03346	30.2
81.06979	21.3
86.09610	6.7
95.08526	21.4
141.70264	5.1
156.93616	5.7
174.06958	5.5
178.22337	5.8
184.07397	9.3
193.12117	7.2
203.05264	13.2
204.62732	5.8
347.18088	6.0
371.01987	6.2
409.82288	5.8
423.27032	27.6
505.38574	43.8
506.38815	6.0
603.33215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01822	15.9
55.05450	21.2
56.04982	2.0
57.03371	1.7
57.04335	1.9
57.07006	14.2
58.99523	13.3
61.05343	1.8
67.05418	11.3
69.06982	22.4
71.08550	8.7
72.04425	3.9
74.00579	17.5
76.02140	9.9
76.27751	1.7
78.30946	1.6
79.05412	3.9
81.06959	13.1
83.06005	1.8
83.08531	23.3
84.04421	4.6
86.09621	8.4
86.98975	10.0
88.02129	4.7
90.05482	3.3
93.06966	4.2
95.08528	9.2
97.06481	2.4
97.10113	15.1
104.01640	24.0
107.08558	3.1
109.10091	2.6
111.11707	2.3
116.01626	47.3
121.10092	4.2
124.99937	2.0
128.57779	2.1
129.06506	3.2
135.11664	10.8
141.06682	2.0
142.03188	2.9
149.13332	2.3
151.14841	2.5
158.02669	100.0
176.03728	40.7
180.85223	1.9
184.07341	9.4
265.25229	12.3
286.01910	2.1
298.25726	2.7
340.26495	3.4
358.27661	16.2
368.26251	2.8
458.29199	26.7
475.31927	47.4
476.32077	2.5
515.31488	3.8
604.33826	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	605.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.3
55.05441	0.1
57.03359	0.1
60.00406	0.1
61.02858	0.1
65.03851	0.2
67.01784	0.1
68.99711	0.8
69.03359	0.7
70.06508	0.4
71.04912	0.2
81.03329	1.1
84.08038	0.1
85.02824	0.7
86.09612	0.2
87.00747	0.6
88.01077	0.1
91.05408	1.6
95.04873	0.1
95.08540	0.1
97.02809	0.9
99.04395	0.5
105.03345	0.1
107.04892	0.2
109.02832	1.5
109.06481	0.1
111.00744	0.4
119.04916	0.9
119.08512	0.1
121.02826	0.6
127.03876	2.6
128.02325	0.1
129.10143	0.1
131.04922	0.5
131.08505	0.1
133.02744	0.1
141.06956	0.5
145.02827	1.7
145.04945	0.4
145.06415	0.2
147.04352	0.2
147.08028	0.2
147.99960	0.1
149.01143	0.2
149.02318	4.4
153.01807	8.4
159.04370	1.0
159.07996	0.4
165.01711	0.6
169.06444	1.3
173.05984	0.4
175.07477	0.1
183.02766	0.1
187.03899	0.4
187.07495	0.9
197.05933	1.5
201.05403	0.2
213.03900	0.2
215.06999	8.5
216.07451	0.1
225.05444	0.8
227.07112	0.1
231.04987	0.4
243.06464	5.1
253.04924	2.2
261.38797	0.1
270.33194	0.1
271.05957	100.0
272.06290	4.6
317.04718	0.2
436.49625	0.1
519.11481	0.1
605.11047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	11.2
55.60893	2.0
57.03372	16.1
59.37461	2.3
66.76401	2.2
67.05408	13.4
69.06977	14.6
71.04557	4.0
71.04913	70.6
73.02835	2.1
75.04362	10.0
79.05392	10.0
81.06978	30.4
83.04896	3.8
83.08535	2.3
85.02350	4.7
85.02828	100.0
86.09639	3.0
88.57832	2.4
91.05397	11.5
92.10895	6.6
93.06975	28.7
95.08537	75.0
105.06976	27.6
107.08549	44.9
109.10105	41.5
111.04391	3.3
111.08025	5.8
117.06934	3.0
119.08545	32.7
121.10104	31.2
123.11645	14.5
129.05396	10.7
131.08507	10.8
133.10120	31.4
135.11624	25.8
137.13235	3.1
137.29524	2.3
139.11151	2.5
145.10074	18.6
147.11690	19.8
149.13232	21.7
159.11659	19.0
161.13187	16.8
163.14806	15.9
173.13194	10.5
175.14786	18.1
177.16362	12.4
184.07304	10.6
187.14822	12.1
189.16281	11.9
193.15689	3.5
195.17462	2.7
199.14774	3.2
201.16322	11.8
203.18007	18.4
215.17877	5.0
217.19441	10.2
219.17436	8.8
221.18913	10.2
227.17931	3.9
229.19418	13.6
233.18982	4.4
247.20567	3.2
383.32928	3.3
405.34940	2.9
423.36157	45.5
424.36505	3.1
441.32053	3.4
441.37183	43.4
461.24548	2.5
631.86530	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	606.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	1.8
53.58001	0.3
55.01804	1.4
55.05445	3.3
56.04962	0.7
57.03371	1.6
57.06996	0.6
61.01081	0.4
64.98943	0.3
65.03848	0.5
67.05423	2.4
67.51592	0.3
68.03599	0.3
68.99686	0.3
69.03347	11.2
69.06978	3.1
70.06509	9.8
71.04890	1.5
71.63745	0.3
73.02813	0.6
74.05972	0.5
77.03898	0.3
79.05408	6.5
81.03334	3.2
81.06975	10.1
81.07439	0.5
83.04892	4.3
83.08548	0.6
84.04412	1.9
84.08072	1.4
84.34050	0.3
85.02825	8.7
85.06477	0.4
86.09619	1.6
87.00772	3.6
87.04384	0.5
91.05417	4.3
93.06958	4.2
95.04896	3.4
95.08535	5.1
97.02825	7.0
97.06467	0.6
99.04369	2.1
99.08032	0.4
102.05505	0.4
103.03837	0.4
105.01801	2.6
105.06970	7.0
107.04887	5.4
107.08537	27.3
109.02837	2.9
109.06477	5.7
109.10106	7.6
110.07104	0.8
111.08002	0.6
115.03905	0.4
115.05434	0.6
117.06949	2.1
119.08525	3.5
120.08045	0.8
121.06474	2.8
121.10101	15.2
122.07255	4.0
123.08022	2.2
123.11630	0.5
125.09563	1.7
127.03870	4.9
128.87732	0.4
131.08533	3.3
133.10092	100.0
134.10429	2.0
135.08011	9.9
135.11673	2.1
136.07553	1.3
137.09586	67.2
138.09927	0.6
139.11234	0.5
143.08545	0.5
145.04965	1.7
145.10095	2.0
147.11676	2.9
149.09612	2.4
149.12048	0.5
149.13232	14.1
151.03870	4.8
151.11154	10.5
152.04251	0.7
153.09052	0.4
156.06090	0.4
158.10899	0.9
159.02869	0.6
159.11588	0.4
161.09622	0.9
163.14749	3.8
165.09026	0.4
165.12706	0.6
171.11707	0.4
173.13217	7.7
176.12091	0.4
191.14270	60.8
192.14648	1.5
209.15326	22.8
210.15755	0.6
213.03998	0.5
231.04938	1.4
233.12878	0.4
236.11505	0.4
294.73953	0.4
333.07809	0.6
334.00031	0.5
403.17526	0.8
409.41321	0.3
421.18652	4.2
439.19440	6.2
445.20389	1.7
457.20596	2.7
607.25055	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	0.4
55.05445	1.2
57.03376	1.0
57.07013	0.5
67.05417	1.6
69.03004	0.4
69.03354	8.6
69.06998	2.4
71.04897	0.4
74.65823	0.3
75.04431	0.2
79.05420	4.3
81.03341	2.9
81.06982	6.8
82.22200	0.3
83.04893	2.2
83.08562	0.4
85.02832	5.0
87.00753	2.7
91.05412	4.3
93.06966	2.6
95.04900	1.1
95.08539	1.7
97.02824	5.0
97.06470	0.3
99.04399	0.5
105.01809	1.9
105.06979	5.4
105.78889	0.3
107.04897	3.8
107.08543	20.7
109.02831	2.1
109.06467	4.2
109.10114	5.8
115.03883	0.6
115.05379	1.1
117.06955	2.0
119.08538	2.7
121.06462	2.6
121.10100	12.0
122.07244	3.0
123.04344	0.3
123.08047	1.2
127.03897	3.6
131.08537	2.1
133.10104	100.0
134.10416	2.6
135.08029	9.5
135.11653	1.6
137.05972	1.8
137.09601	59.6
138.09946	1.7
145.04979	0.6
145.10126	1.7
147.11624	2.3
149.09633	1.8
149.13245	10.6
151.11156	0.4
158.10889	1.2
159.02814	0.4
161.09659	0.4
163.14819	1.1
173.13237	5.3
175.07594	1.1
191.14284	50.7
192.14667	1.6
209.15340	12.2
213.03905	0.6
231.04936	0.7
238.44872	0.3
295.66135	0.3
403.17413	1.2
418.74634	0.3
421.18478	2.7
439.19629	6.6
457.20721	1.7
557.23999	0.3
621.91772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85689	0.7
53.03889	4.6
53.94843	0.8
55.01828	1.0
55.05468	1.3
56.04972	1.9
60.19691	0.8
61.02854	1.6
67.05412	2.0
69.03352	15.4
69.07005	1.0
70.06513	28.3
71.04913	4.6
73.02814	1.2
75.23811	0.7
75.56259	0.9
79.05396	1.5
81.03333	14.6
81.65437	0.8
83.04907	4.9
83.06020	0.9
84.04436	12.8
84.08068	8.5
85.02827	66.7
85.43317	0.8
86.09628	4.7
91.05396	1.5
91.52605	0.8
93.06979	4.2
95.04885	6.9
95.08557	1.0
97.02821	22.8
99.04385	49.7
102.05491	1.0
103.03879	96.9
105.06996	3.8
107.04917	0.8
107.08553	1.3
109.02835	14.2
109.06450	1.5
109.10143	1.5
110.07123	5.9
111.04387	1.7
112.08701	1.3
113.07083	1.0
115.08665	1.4
116.07040	3.4
119.08529	7.4
120.08038	0.9
121.06424	1.5
123.08009	5.1
127.03876	100.0
129.10222	3.2
131.08559	2.0
133.10046	1.2
135.08038	3.4
137.09563	0.9
143.08546	1.0
145.04932	33.2
145.10109	4.1
147.08015	1.3
147.11577	1.0
155.08479	1.5
157.10075	1.3
158.07294	1.1
159.08047	1.5
159.11647	1.0
161.09569	2.9
162.52081	0.9
163.05972	30.1
164.73109	0.9
165.09093	1.4
171.11699	1.3
173.09641	1.6
173.13222	1.5
174.14886	1.1
175.07558	1.7
183.11710	1.4
187.06010	1.4
187.11198	3.8
189.09094	1.8
199.11098	6.2
201.00589	1.2
201.12724	5.8
203.10640	3.0
205.07115	1.5
211.11063	1.8
217.12219	4.7
229.12157	3.0
247.13260	16.4
265.14337	13.4
271.08163	4.6
289.09143	4.4
307.10202	12.2
310.89453	1.1
333.44272	0.8
553.22394	3.1
573.08862	0.9
606.13031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	0.4
53.03887	0.6
55.01803	0.4
55.05448	4.3
55.23737	0.2
56.04966	0.5
57.03376	1.2
57.07010	3.1
59.04937	0.6
61.02847	0.3
63.35929	0.3
67.05422	8.0
67.58197	0.2
69.03349	5.3
69.06985	10.4
69.07340	0.5
69.50983	0.3
69.59481	0.2
70.06509	2.0
71.04867	0.4
71.08570	0.3
72.08066	0.3
73.02835	0.6
79.05386	2.2
81.03328	3.2
81.06971	7.9
83.04887	0.4
83.08527	3.0
84.04433	0.5
84.08071	0.4
85.02824	6.3
85.06462	1.6
87.00736	4.2
87.04414	0.4
91.05396	7.8
91.05937	0.4
93.06969	6.8
95.04900	0.5
95.08527	24.0
97.02816	4.5
99.04386	1.2
103.05419	0.4
105.01814	2.7
105.06969	16.4
107.08534	9.7
109.02830	1.9
109.06438	1.2
109.10101	30.1
110.07088	0.3
115.03876	1.8
115.05374	0.5
117.03365	1.0
117.06957	3.1
119.08530	71.8
120.08878	0.5
121.10106	4.0
122.03535	0.3
123.08005	1.1
123.11636	0.6
127.03886	2.6
128.06194	0.5
129.06953	2.3
129.10162	0.3
130.07735	0.3
131.04924	0.6
131.08530	5.3
133.04901	0.4
133.10091	71.0
134.10518	1.9
135.11653	10.8
137.05933	1.7
137.08528	0.3
137.09587	9.7
141.06941	2.5
143.08521	0.6
145.02808	3.3
145.04845	1.0
145.10085	4.6
147.11662	16.7
148.11966	0.3
149.05891	0.5
149.13211	3.5
151.14751	4.4
157.06451	2.1
158.07222	1.2
159.02821	0.3
159.07988	3.1
159.11682	0.5
160.05125	0.4
160.12431	3.8
161.09583	1.3
161.13055	0.3
163.07463	0.4
169.06462	1.1
170.07214	0.6
171.07948	0.4
173.13193	1.6
174.06717	5.3
175.07515	1.6
175.14774	100.0
176.15108	2.6
177.05449	2.4
181.04921	0.4
186.06734	1.1
189.09064	10.3
191.10576	0.6
193.15848	20.0
194.16212	0.4
201.09064	3.8
203.10704	2.2
207.10127	0.3
219.10117	26.9
254.56488	0.3
261.27930	0.4
287.14066	1.2
290.12772	0.3
329.12439	0.4
345.07944	0.4
378.67850	0.3
575.81470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51654	0.8
55.05449	10.8
56.63034	1.0
57.03373	1.5
57.07011	27.7
59.04917	2.5
61.06095	1.0
62.68961	1.0
64.71556	1.0
67.05423	74.5
69.06975	7.5
71.04887	1.3
71.08546	16.9
71.47137	1.1
79.05392	1.9
81.06589	1.1
81.06984	19.3
83.08535	9.6
83.08952	1.0
84.91122	1.0
85.06451	1.7
85.10101	9.8
86.09618	1.2
91.05369	4.6
92.10265	3.7
93.06971	2.4
95.06696	1.1
95.08521	17.8
97.10074	1.2
102.65557	1.0
107.04950	1.1
107.08511	1.6
109.10103	55.1
111.08021	1.6
119.08553	1.7
137.09584	1.4
155.01064	1.3
163.51228	1.0
173.11696	7.3
178.71956	1.1
180.13757	5.5
198.14787	8.6
205.87987	1.0
228.82411	1.1
229.14079	1.6
313.27365	2.7
352.15030	1.5
449.12634	1.2
467.37204	100.0
468.37326	6.2
493.38458	1.6
590.38177	8.0
608.38300	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42297	0.1
53.00254	0.2
55.01807	0.3
56.04965	0.2
63.02296	0.7
65.03860	2.0
67.05421	1.0
70.06510	3.7
72.08067	0.8
78.04636	0.9
79.05393	0.7
81.03339	0.2
82.04106	0.4
84.04420	1.8
84.08073	1.3
85.02814	1.7
86.09621	0.7
89.03836	18.9
90.04169	0.3
91.05403	2.9
92.10314	0.4
93.03324	0.3
95.04893	1.3
97.06468	0.3
102.05493	0.2
103.05396	1.0
105.04440	0.2
106.04109	1.1
108.02032	0.4
110.03579	1.1
110.07096	1.0
111.04367	0.8
116.06976	0.2
117.03325	49.7
118.03657	0.7
119.04889	2.2
120.08009	0.3
121.06471	0.3
124.05149	0.9
125.05952	0.3
127.03896	0.3
129.10220	0.4
134.03581	4.2
135.04381	4.5
138.03107	0.4
140.07074	0.3
142.02641	0.3
142.90318	0.2
145.02820	97.3
146.03142	1.7
147.04399	1.9
149.05954	19.4
150.06377	0.3
151.03844	0.4
157.03796	0.2
158.05893	0.3
162.03113	0.6
163.03896	1.0
171.06503	2.5
175.03862	1.9
177.05431	100.0
178.05777	2.5
181.04921	21.9
182.05228	0.3
186.05502	1.3
187.07422	0.2
207.06505	2.6
238.96243	0.2
239.10942	0.2
270.05038	0.7
270.66074	0.2
284.65552	0.2
285.07462	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02315	0.2
53.00243	0.2
53.03875	0.2
53.60765	0.2
54.49574	0.2
55.01817	0.2
55.05427	0.2
55.89737	0.2
56.04963	0.3
58.47432	0.2
63.02290	0.7
65.03862	2.6
67.05424	0.5
69.03350	0.9
69.05714	0.2
70.06515	1.8
72.08069	0.4
76.61176	0.2
78.04623	1.6
79.05415	0.9
81.03358	0.4
81.06993	0.2
82.04128	0.4
83.04894	0.9
84.04432	0.5
84.08077	1.2
85.02826	2.8
86.09618	0.3
89.03835	20.0
91.05405	3.3
92.10181	0.2
93.03325	0.3
93.06971	0.4
95.04889	1.2
97.02840	0.4
97.06458	0.9
99.04379	0.4
103.03848	0.5
103.05395	0.5
105.03352	0.3
105.06982	0.5
106.04120	0.9
108.02029	0.3
109.02843	0.3
109.10114	0.2
110.03606	1.0
110.07116	0.4
111.04408	1.0
117.03324	50.5
118.03638	0.5
119.04892	1.7
119.08525	1.0
120.08068	0.3
121.06443	0.5
123.00751	0.3
124.05175	1.1
125.05934	1.0
127.03844	1.1
129.04436	0.3
129.10237	0.5
129.11134	0.3
131.04889	0.2
133.10088	0.5
134.03598	4.7
135.04404	4.1
138.03079	0.5
142.02560	0.3
143.07059	0.2
145.02818	100.0
145.10085	0.9
146.03136	2.1
147.04381	1.5
149.05952	17.6
151.03880	1.3
153.05492	0.3
162.03075	0.2
163.03841	1.1
171.06528	2.7
173.09573	0.5
175.03818	0.8
175.14799	0.2
177.05428	89.9
178.05763	1.9
181.04912	24.4
182.05254	0.5
184.00197	0.2
186.05406	1.8
187.11241	0.4
207.06404	1.6
253.81229	0.2
325.99268	0.2
413.17764	0.3
462.05151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.3
53.70520	0.2
55.01814	0.2
63.02305	1.5
65.03860	2.4
67.05408	0.4
69.03327	0.2
70.06515	2.3
78.04633	1.6
79.05432	0.4
82.04121	1.1
84.04447	0.4
84.08060	0.3
84.67347	0.3
85.02835	1.3
89.03842	24.9
91.05405	7.0
95.04894	1.6
97.06465	0.3
103.05406	1.0
106.04114	1.5
110.03597	1.0
114.14521	0.2
117.03332	56.4
118.03656	0.5
119.04893	5.6
121.06451	0.5
122.03579	0.4
124.05178	0.6
125.06033	0.4
134.03603	5.3
135.04385	6.1
145.02826	100.0
146.03163	2.2
147.04387	4.8
149.05956	20.0
151.03891	0.5
157.03918	0.4
162.03128	0.4
163.03864	1.3
171.06470	1.9
175.03871	6.2
177.05437	96.9
178.05823	1.8
181.04926	16.5
186.05435	1.4
207.06505	6.3
255.06374	0.4
298.08752	0.3
336.99747	0.4
337.99854	0.3
404.23230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1814
Annotation	Biochanin A 7-O-gentiobioside
Peak:m/z	Relative Intensity
53.03889	0.2
57.03361	1.0
57.75785	0.1
61.02841	1.0
62.35348	0.1
63.69623	0.2
69.03348	3.3
70.06499	2.3
72.08069	0.2
73.02837	0.4
73.98837	0.1
81.03336	1.6
84.02840	0.1
84.04420	2.0
84.08065	0.3
85.02348	0.3
85.02831	5.6
86.09616	1.3
87.04371	0.3
91.03895	0.2
91.05373	0.2
97.02827	2.0
99.04379	0.7
102.05477	0.2
103.03882	0.9
109.02818	0.9
110.07101	0.9
113.07066	0.2
116.07047	0.2
117.03304	0.3
127.03870	1.1
129.06519	0.2
129.10220	0.2
131.65434	0.2
139.03902	0.3
141.06792	0.2
142.33310	0.2
145.02800	1.8
149.05949	0.3
151.03903	0.2
151.93616	0.2
152.01007	0.3
163.03896	0.2
167.03377	1.0
168.05646	0.7
169.06404	1.4
177.05414	0.9
181.04903	0.3
181.06430	0.2
185.05978	0.2
196.05099	0.7
197.05930	2.5
197.12878	0.3
207.44069	0.2
214.06248	0.4
225.05406	4.0
229.08539	3.9
239.07088	0.2
242.05669	3.8
243.13409	0.3
253.05145	0.3
254.05690	0.4
257.07999	1.8
267.06406	1.0
268.07025	0.2
269.08102	0.2
270.05167	19.7
271.05515	0.7
285.07510	100.0
286.07867	4.4
294.05170	0.3
297.07993	0.2
309.07559	0.9
327.08545	3.5
447.12769	26.6
448.13040	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10435	0.1
51.02311	0.2
52.01179	0.1
53.03888	1.0
55.01815	2.1
55.05444	0.7
57.03373	2.4
61.02853	1.6
63.02316	0.1
63.98604	0.1
65.03860	0.3
67.05418	0.7
68.99702	1.1
69.03349	8.4
69.06982	1.0
70.06510	1.8
71.01281	0.2
71.04901	1.7
72.08064	0.3
73.02831	1.8
74.93038	0.1
78.04607	0.2
79.05399	1.0
81.03331	6.2
81.06973	1.0
84.04420	0.8
84.08053	0.9
85.02826	16.7
86.09614	0.3
87.00247	0.3
87.00751	7.7
87.04409	0.4
89.03836	2.1
91.03901	0.3
91.05396	3.0
93.06966	0.8
95.04881	0.8
95.08530	1.0
95.91606	0.2
97.02825	6.7
99.04385	2.8
102.56348	0.2
103.03894	0.3
103.05399	1.0
105.01797	4.4
105.06982	2.5
107.04914	1.3
107.08533	1.0
108.75208	0.2
109.02834	4.4
109.06431	0.3
109.10110	1.2
110.07111	0.2
111.04384	0.2
115.03882	2.6
115.05373	1.7
116.06134	0.2
117.01813	0.8
117.03323	5.5
117.06971	1.1
119.04907	0.3
119.08537	5.7
120.08043	0.3
120.08871	0.8
125.02275	0.8
125.05920	0.2
125.09315	0.2
127.03871	7.2
128.06172	2.4
129.01765	0.7
129.06970	9.7
130.07787	0.2
131.04901	2.4
131.08531	11.3
133.04912	0.4
133.10092	4.3
134.03596	0.2
134.10446	0.3
135.04419	0.3
135.11665	0.2
136.07541	0.4
137.05956	6.5
137.09549	0.6
141.06963	7.4
143.04900	0.7
143.08571	2.9
144.05678	1.3
145.02826	10.9
145.04840	2.3
145.06448	1.9
145.10092	0.3
146.03203	0.3
146.07271	1.6
147.04416	0.4
147.08011	1.1
147.11656	0.3
149.05952	2.2
151.03870	1.1
151.07529	2.0
151.14700	0.2
151.89571	0.2
157.06467	9.7
158.07237	4.4
159.02904	2.0
159.04176	0.3
159.08017	10.7
160.05180	1.8
161.04417	1.2
161.05942	1.0
161.09593	5.7
162.06697	1.2
163.07486	1.4
165.09073	0.4
169.06442	4.8
169.07747	0.3
170.07204	1.7
171.04338	0.3
171.06572	0.3
171.07976	2.9
171.09335	0.3
173.05986	0.7
173.09552	0.7
174.06725	22.6
175.03860	0.2
175.07501	6.1
175.14793	4.1
176.15091	1.0
177.05434	10.1
177.09100	0.6
178.05872	0.2
179.05481	0.2
181.04898	2.4
181.92912	0.2
183.07945	0.2
186.06731	5.1
187.07469	1.8
188.08260	2.2
189.09071	39.4
190.09360	1.1
191.07005	0.7
191.10632	3.6
193.15852	0.7
199.07417	0.2
201.03874	0.7
201.09074	15.4
202.09398	0.3
203.06863	0.2
203.08685	0.2
203.10611	7.2
207.06456	0.2
207.10060	1.4
219.10123	100.0
220.10381	2.4
221.11697	0.7
231.04904	0.8
231.07945	0.2
232.08823	0.2
247.04398	0.9
247.07053	0.2
291.10162	0.2
309.11047	0.4
325.14111	0.3
329.12173	2.0
341.13684	0.3
371.10175	0.2
399.03592	0.2
436.80881	0.2
622.65607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36541	0.3
55.01808	0.5
56.12471	0.3
57.03344	0.3
67.05439	0.6
69.06992	1.5
79.05384	0.4
79.83448	0.3
81.06959	1.4
83.04899	0.7
85.02803	0.4
86.09628	0.4
91.05404	0.5
92.10856	0.4
93.06993	0.5
95.04852	0.3
95.08543	0.4
98.05972	0.3
105.06995	2.2
107.08511	1.3
109.10117	0.5
112.07523	1.3
114.73653	0.3
115.05418	0.3
119.08524	0.4
121.10087	0.4
123.11655	0.5
129.06943	0.7
133.10092	3.1
137.05917	0.3
141.06973	1.4
142.07764	1.5
145.06400	0.5
147.11803	0.3
151.11136	1.7
152.06189	0.6
153.06943	4.2
153.12622	0.3
154.07715	0.4
155.08533	2.8
156.05707	0.4
157.06419	1.2
159.08026	0.5
165.06992	1.6
167.08525	0.6
168.05673	4.2
168.13797	1.4
169.06439	1.7
170.07230	3.5
171.08041	1.4
180.13809	3.7
181.06429	4.1
182.07204	2.7
183.04379	0.6
183.08006	3.9
184.05138	1.7
184.08818	0.4
185.05991	2.7
185.09592	4.9
187.07466	2.2
195.08012	1.3
196.05196	2.8
197.05968	2.0
198.06725	15.5
199.07503	5.4
199.14874	0.3
200.08212	2.0
201.05453	0.5
201.09105	0.4
209.05945	1.4
210.06685	1.7
211.07492	6.7
212.04602	1.9
212.08228	1.7
213.05539	5.1
213.09047	12.1
214.09744	1.8
215.06966	1.8
215.10426	0.4
216.07649	0.4
223.07634	0.5
225.05455	0.6
226.06161	7.4
227.06967	5.1
228.07806	4.6
229.04912	0.7
229.08398	0.6
230.09209	1.2
239.06976	1.7
240.07761	1.7
241.04718	1.2
241.08527	29.7
242.09163	1.6
243.06432	2.5
243.10188	1.2
244.07191	0.7
245.11555	0.4
253.08542	2.1
255.10155	2.5
256.07202	0.7
258.08798	1.8
259.09589	25.1
260.09854	0.6
261.09106	0.4
271.09583	23.9
273.11142	100.0
274.11526	3.1
288.12094	0.3
289.12009	0.4
297.11337	0.4
327.41846	0.4
339.15622	0.4
391.18906	0.5
405.20224	0.4
408.11346	0.3
423.21469	3.4
428.23865	0.4
440.24121	1.6
518.85565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88429	0.6
53.03885	0.8
61.22408	0.7
65.03844	1.1
67.05428	4.0
69.06986	1.7
69.73352	0.8
73.90760	0.8
76.69311	0.7
79.05383	6.8
81.06973	4.8
86.09596	1.1
91.05394	5.7
92.06170	2.0
93.06959	1.5
95.04886	7.6
95.08518	1.0
97.06392	1.4
102.51711	0.8
104.10675	0.9
105.06971	3.7
107.04899	3.6
108.05682	1.9
108.37881	0.8
109.06454	4.3
109.10114	1.6
111.77159	0.8
121.06440	6.8
122.03638	1.4
122.07237	41.1
125.05968	5.2
133.10098	5.5
135.04356	8.2
136.07532	1.4
137.05963	9.9
142.07774	1.5
145.02824	0.9
148.05153	1.9
149.05945	1.8
149.28601	1.0
151.07500	0.9
152.07072	11.0
153.05478	1.9
153.06963	1.9
157.10098	1.1
159.08032	3.7
161.05933	0.8
167.46671	0.9
169.06375	1.1
170.07315	1.6
171.08023	1.9
173.09639	1.4
177.05476	1.0
180.13800	1.2
181.06430	3.6
183.08011	3.7
185.05939	1.1
185.09555	7.2
187.07486	1.7
187.11137	0.9
190.20276	0.9
195.08032	1.3
197.05965	1.1
198.06804	8.3
199.07422	3.5
199.11192	1.0
200.08209	1.5
202.09866	3.6
206.30090	0.8
212.08424	0.9
213.09071	25.7
215.07123	1.2
215.10635	1.0
216.07706	1.4
217.12247	3.6
227.06975	4.0
228.07799	1.1
230.09305	1.6
240.07805	3.5
241.08592	5.0
243.10060	4.0
245.11655	7.3
257.34833	1.3
258.09021	1.2
259.09613	16.1
271.09558	34.5
273.11151	100.0
274.11407	3.8
288.12286	0.9
330.23434	1.0
374.28726	1.1
405.20590	1.3
423.21494	5.4
440.24088	4.5
609.38947	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	610.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	0.8
56.90340	0.2
57.03368	1.3
63.73985	0.2
64.46379	0.2
67.31442	0.2
69.03342	0.7
70.06506	0.2
71.01246	0.4
73.02823	0.9
84.04434	0.2
85.02825	0.9
97.02826	0.4
107.04889	0.4
115.03896	0.3
119.03470	0.4
133.04901	0.2
136.06158	100.0
137.04575	0.4
137.06609	1.3
177.00728	0.2
195.10197	0.2
242.10971	0.2
243.16946	0.3
268.10342	23.5
269.10513	0.4
311.04672	0.2
546.90430	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	610.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00252	0.9
53.03883	1.7
55.01810	6.3
55.05449	9.6
57.03368	2.2
60.96183	0.8
65.03865	2.1
67.05436	8.2
69.03353	23.6
69.06994	36.1
70.06516	23.5
71.04903	7.1
72.08074	26.3
73.02827	1.9
73.06467	5.0
74.63365	1.0
78.04623	1.3
79.05412	18.7
81.03329	11.5
81.06980	11.5
82.14171	0.8
83.04903	85.5
84.04428	3.8
84.05249	1.2
84.08080	2.4
85.02827	12.9
85.06466	1.8
86.09631	50.1
89.03839	16.0
90.04189	6.8
91.05396	19.1
93.06986	15.8
93.19465	0.8
95.04904	13.8
95.08545	4.9
95.41275	0.9
97.02825	5.4
97.06464	69.0
97.07091	2.2
98.06788	1.2
99.04390	13.2
101.05973	2.1
102.80106	1.0
103.05422	2.2
105.06268	1.9
105.06976	56.6
106.04095	1.2
107.04902	7.7
107.08529	16.2
109.02840	6.0
109.06471	12.0
111.04474	1.4
113.05981	1.4
115.05465	1.1
116.07022	6.6
117.03329	41.5
117.07004	10.1
118.03649	15.3
119.04911	5.0
119.08555	12.0
121.06463	42.6
121.10075	1.1
123.08049	1.3
125.05959	99.8
127.03884	6.5
128.06163	1.7
129.06981	4.9
129.10207	2.1
130.07756	5.6
131.04929	1.6
131.08540	22.3
133.06432	12.0
133.10083	5.7
133.33470	1.0
133.43324	1.0
134.03636	4.0
135.04419	6.4
135.08041	2.2
135.11636	1.4
137.05975	8.8
141.06560	34.6
143.07016	56.0
143.08525	5.7
144.05730	1.0
144.09312	5.2
145.02834	74.1
145.06490	11.8
145.10107	100.0
146.03169	33.1
146.10469	2.1
147.04404	1.8
147.08073	4.8
147.11650	2.1
149.05966	16.8
149.09509	1.2
150.06320	6.1
151.03871	4.1
151.07524	12.3
153.06885	1.1
154.07773	3.9
155.08536	4.8
157.10019	1.5
158.07278	9.4
159.08046	11.5
159.11670	42.9
161.09654	5.0
163.07521	4.4
163.11140	18.0
169.06041	7.5
169.10057	12.2
171.06427	1.9
171.07718	4.4
171.11719	1.8
172.08728	6.9
173.09590	78.0
174.09933	1.8
175.03897	1.9
177.05441	66.4
177.12709	14.0
178.05772	41.9
179.05893	1.6
179.08580	2.0
181.04927	27.1
181.06415	1.6
182.05325	7.7
182.07191	1.5
187.11153	63.8
188.11531	1.2
191.10646	24.5
195.07680	4.2
196.06044	11.4
197.09625	11.0
205.12227	50.2
206.12514	1.5
207.06554	1.4
208.06856	1.4
209.11700	7.1
213.08662	2.0
214.11899	1.6
215.10645	51.9
216.11026	2.1
223.13174	1.1
230.11296	7.1
233.11688	48.0
234.12007	1.5
251.12717	32.0
252.13216	1.3
254.14977	12.3
269.13818	2.2
271.05756	1.2
282.11392	1.6
282.14355	16.6
381.21280	8.6
395.16727	2.2
413.17993	22.7
431.19049	4.2
452.41693	1.1
507.41376	1.2
584.08826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02327	0.1
54.22979	0.1
68.83352	0.1
79.05422	0.5
80.81776	0.1
91.05408	0.2
91.09669	0.1
93.06995	1.0
95.04916	0.2
96.27522	0.1
97.46239	0.1
103.05401	4.5
107.04903	1.7
117.88004	0.1
120.08057	100.0
121.08394	1.8
131.04897	2.8
147.70557	0.1
149.05933	1.3
166.08598	25.7
167.08937	0.5
211.95003	0.1
216.21736	0.1
222.65764	0.1
265.14078	0.6
332.14526	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	610.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21225	1.2
55.01826	1.9
55.05453	28.1
57.06773	1.7
57.07014	27.5
58.95479	1.2
62.80645	1.5
65.01337	1.3
67.05421	11.8
69.06987	21.0
69.62569	1.3
71.08549	17.8
72.20734	1.5
74.25140	1.4
81.06970	12.0
83.08035	2.1
83.08536	64.9
85.10101	6.1
85.40226	1.3
87.08006	1.9
93.06964	3.3
93.79569	1.6
95.08522	15.2
97.10088	1.6
103.27390	1.4
108.44493	1.5
109.10110	2.9
111.08037	19.0
115.30162	1.6
124.01501	1.4
124.99961	1.6
130.11501	1.4
140.71541	1.6
157.08577	3.5
169.09859	1.7
175.09610	19.5
182.11684	8.4
184.07336	2.1
192.30423	1.6
200.12756	2.5
213.11252	3.4
469.35144	100.0
470.35431	5.7
610.36505	2.5
611.35608	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03875	0.3
55.01807	0.2
57.03376	0.9
59.04926	0.1
61.02856	6.9
68.99692	0.6
69.03349	1.6
70.06503	0.3
71.01241	0.1
71.04898	0.3
72.27898	0.1
73.02831	2.2
78.70282	0.1
79.05419	0.1
81.03333	0.9
84.04430	0.1
84.08073	0.1
85.02827	9.8
86.03133	0.1
87.04397	0.1
91.03878	3.7
92.10353	0.1
95.04887	0.1
95.66937	0.1
97.02826	3.9
97.03461	0.1
97.80730	0.1
99.04375	0.4
100.41055	0.1
101.25149	0.1
105.03322	0.6
107.04905	0.4
109.02826	0.9
111.00760	1.1
111.04384	0.1
115.03857	0.1
121.02817	3.7
121.06342	0.1
127.03877	1.8
133.02838	0.7
135.04361	0.1
137.02327	0.8
141.06952	0.1
145.02943	0.1
145.04948	1.3
145.06464	0.2
147.04390	0.8
153.01801	5.2
154.02129	0.1
157.06441	0.5
161.05923	0.1
163.05998	0.8
165.01797	2.6
171.02866	0.1
171.04393	0.3
173.06003	0.1
175.03900	0.1
177.08914	0.1
182.83389	0.1
183.02849	1.3
185.05925	0.6
189.05569	0.1
194.02055	0.1
196.22623	0.1
197.05930	0.2
203.03322	0.1
203.07018	0.1
213.05426	1.8
213.07251	0.1
221.94141	0.1
229.04858	0.1
231.06422	0.8
241.04889	1.3
243.06584	0.1
258.05164	1.6
259.05923	0.5
269.04297	0.1
287.05441	100.0
287.69193	0.1
288.05765	4.5
299.05344	0.3
303.04926	0.7
329.06610	0.1
353.06699	0.1
420.51031	0.1
449.10773	0.3
544.20990	0.1
552.53113	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	611.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94305	0.6
55.05441	1.2
58.71428	0.6
64.20576	0.6
65.80766	0.6
70.06516	3.5
81.06967	1.3
84.04436	5.5
84.08057	1.0
86.09653	0.9
92.10249	1.6
100.11190	0.8
117.71647	0.7
118.06467	0.9
119.70847	0.7
120.08067	6.6
121.08392	1.2
127.03675	1.1
129.10173	0.9
130.06517	0.8
133.10059	1.4
137.09566	1.3
146.06038	1.5
155.03171	0.9
156.27232	0.7
159.09146	0.9
175.96576	0.8
186.09151	1.7
188.07066	3.4
225.10275	1.6
226.10472	1.2
231.13530	1.6
291.14285	2.7
299.07510	0.7
309.15552	1.2
317.08240	1.4
342.73816	1.0
343.24176	0.8
359.09531	3.9
377.10583	3.2
381.07983	0.8
385.07303	1.3
403.08337	4.4
413.15506	0.8
421.09146	1.2
422.97189	0.8
435.19345	1.1
507.21838	1.1
525.23059	10.2
549.22559	0.8
567.24005	28.3
568.24365	1.2
593.23505	0.9
611.22992	100.0
612.23370	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	611.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11367	0.7
56.96504	4.9
57.07005	5.4
71.08537	1.2
71.73846	1.0
80.31831	1.0
92.10207	3.7
98.97520	4.2
102.92552	1.6
109.02853	1.2
111.17336	0.9
116.98542	1.3
136.93097	3.8
143.00179	1.8
154.94135	28.9
154.95341	1.2
161.01245	3.8
172.95198	100.0
177.00616	1.1
190.96246	81.1
195.96800	3.3
208.97397	1.7
210.96776	12.0
213.97813	1.3
216.97948	1.3
228.97807	40.2
237.02730	1.8
238.96124	1.1
246.98894	8.8
255.03802	6.9
256.97318	1.3
263.98175	1.9
298.98459	3.9
308.87567	8.1
313.20633	1.8
316.99405	9.5
326.88614	5.5
330.58813	1.2
331.21548	4.2
335.00397	11.7
373.02124	1.3
391.02966	1.4
393.17047	5.1
409.72824	1.2
431.18716	1.8
449.19672	15.2
467.20709	5.5
521.21783	6.1
611.25104	73.1
612.25250	5.2
629.26794	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81974	7.9
55.05442	15.2
67.05419	48.5
69.06982	19.4
70.36913	8.6
79.05406	35.8
81.06969	51.7
83.08529	11.9
91.05392	32.6
93.06982	18.7
95.08519	37.5
97.10126	8.2
103.34842	7.2
105.06984	16.1
106.92249	8.1
107.08528	10.9
109.10096	10.8
110.55460	8.4
117.06953	19.4
119.08511	28.3
121.10057	11.9
131.08572	15.8
143.08467	16.4
145.10077	17.5
148.20029	7.9
157.10060	10.7
169.10088	8.8
171.11668	17.9
183.11679	9.8
187.02650	8.5
195.11581	10.6
319.77637	8.0
593.44873	10.8
611.46570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	1.0
53.03880	2.2
55.05450	21.1
56.96495	2.1
57.03365	11.8
57.07015	2.0
60.97794	1.0
65.03877	1.1
66.29278	1.0
66.85778	1.1
67.05427	61.7
69.03355	2.0
69.06987	20.9
71.04913	1.8
79.05408	42.3
81.03335	11.7
81.06975	48.4
83.04901	1.8
83.08543	7.4
84.04390	1.2
85.02815	1.5
86.09627	1.7
91.05403	24.0
92.10178	1.2
93.06975	52.3
95.04928	4.7
95.08533	40.7
97.02804	1.5
97.06503	1.6
98.98401	59.8
99.08025	1.1
105.06975	14.5
107.08531	24.4
107.48921	1.0
109.02831	6.0
109.06468	1.9
109.10095	19.3
115.87867	1.1
116.99440	4.7
117.06942	2.7
119.08537	18.3
119.51794	1.3
121.10096	18.5
123.08011	1.3
123.11588	1.7
131.08537	6.2
133.10075	8.3
134.99663	1.3
135.08084	1.5
135.11644	11.3
144.76050	1.2
145.10094	4.4
147.11674	4.8
149.13229	5.0
155.01016	20.0
159.11650	1.9
161.13251	2.3
163.14774	1.3
165.36443	1.2
173.02109	2.4
173.13255	2.7
175.14833	1.4
183.26129	1.1
184.07341	1.8
187.14732	1.4
198.12787	2.1
242.14218	1.1
243.02721	1.3
243.21030	4.9
261.03650	1.8
261.22107	13.7
268.13101	1.5
273.38760	1.1
288.28766	2.1
317.06354	5.2
317.24805	4.1
335.07333	1.6
335.25735	100.0
336.25995	5.6
351.17874	1.1
415.22217	2.1
423.27225	2.5
559.26697	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	613.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18515	0.1
55.05440	0.2
56.04959	0.1
57.84137	0.1
58.33669	0.1
69.03355	0.2
70.06507	3.2
72.08069	0.2
74.02351	4.2
78.22907	0.1
81.03339	0.1
82.45603	0.1
83.06033	0.2
84.04430	1.4
84.08069	0.6
85.02813	0.7
86.02324	0.2
86.09633	0.3
91.05407	1.7
97.02779	0.2
102.05458	0.3
103.03881	0.3
107.04896	0.3
110.07126	1.0
112.08632	0.2
117.06956	0.3
119.04873	2.0
127.03866	0.6
128.04904	0.2
129.10141	0.3
130.06494	1.5
132.08054	1.1
143.07288	0.8
144.08058	100.0
145.06624	0.2
145.08411	3.8
146.05977	0.6
147.04387	1.5
156.08015	0.2
161.71391	0.2
170.06029	0.2
171.06551	0.1
171.09131	1.9
173.10692	0.6
175.03874	2.2
181.04939	0.9
188.07010	0.8
207.06462	2.6
215.06926	0.3
217.09685	25.8
218.10045	1.4
241.37527	0.2
255.06425	0.2
259.11392	0.1
271.05704	0.2
297.07266	0.1
305.37744	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	613.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02334	2.8
55.05445	7.1
55.69894	2.1
57.07018	2.9
57.33901	2.5
62.13971	2.3
67.05431	25.3
69.06986	11.8
76.67275	2.6
79.05411	15.7
81.06969	19.6
83.08537	3.2
85.02874	3.1
91.05408	6.0
92.10905	5.8
93.06954	20.6
95.08540	20.2
98.98410	37.0
105.06956	2.9
107.08526	15.5
109.02818	3.3
119.08529	3.4
121.10081	3.5
145.10153	3.0
155.01021	5.4
184.07338	5.6
235.08647	3.2
249.10179	23.1
251.11674	3.8
263.11688	4.4
277.09677	7.1
309.12274	3.6
323.13806	13.6
326.12970	4.2
327.13815	6.9
328.14227	6.1
335.25620	28.9
336.26047	23.2
338.93774	3.4
339.17099	3.7
340.51636	3.3
341.11566	24.3
341.15228	3.5
342.12338	13.4
342.16058	3.9
353.12973	3.4
354.12543	20.6
355.13071	16.9
356.13882	43.5
357.14252	3.3
366.16049	3.5
367.16870	5.6
368.14041	7.4
369.14734	13.4
370.15436	24.7
380.13834	4.5
382.15622	6.2
384.12903	5.3
384.16934	15.2
388.51181	3.1
396.13370	3.9
398.14459	22.5
398.19229	5.7
401.13669	12.9
412.16605	16.1
414.14301	15.2
416.15704	5.3
417.16956	4.1
429.16534	13.6
430.17426	13.0
438.14404	13.9
444.18997	15.8
456.15280	12.4
457.16431	34.3
458.16962	27.3
462.88223	3.6
474.16559	5.5
488.18167	5.4
489.18826	100.0
489.25781	4.3
490.19592	34.5
581.23682	16.1
595.25244	4.4
613.26349	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4822
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.00243	1.1
54.81283	1.0
55.01814	2.0
55.05451	25.0
57.03371	5.9
57.07016	9.0
57.07249	1.0
61.52073	1.1
61.69484	1.0
65.03868	1.1
67.05425	42.9
69.06989	20.6
71.04898	1.2
71.05915	1.0
71.08550	5.4
73.23003	1.0
76.78439	1.1
78.97629	1.1
79.05405	22.3
81.06968	42.5
83.08546	11.3
83.26080	1.0
85.10089	1.2
85.32608	1.1
89.05967	2.4
91.05405	24.2
92.10952	2.7
93.06970	22.2
95.04877	1.2
95.08536	26.9
97.10109	5.2
99.08064	1.3
105.06977	33.0
106.16289	1.0
107.08538	16.4
109.06470	1.4
109.10103	10.8
117.06963	16.2
119.08534	31.3
121.10107	8.2
123.11671	2.1
128.06192	1.3
129.06955	12.4
130.85042	1.2
131.08539	27.4
133.10115	11.3
135.08124	1.1
135.11690	6.3
137.13255	1.8
141.07014	2.4
143.08569	15.2
145.10100	22.8
147.11668	5.6
149.13217	1.5
155.08569	8.3
157.10098	11.9
159.11655	11.5
161.06116	1.0
161.11990	1.0
161.13173	8.5
163.14809	1.4
167.08511	1.4
169.10162	5.2
171.11658	10.5
173.13251	8.4
175.14828	6.6
181.10188	4.5
183.11707	4.3
185.13252	5.6
187.14790	9.6
189.16396	4.4
195.11760	1.3
197.13318	5.9
199.14835	6.3
201.07715	1.3
201.16350	8.6
208.12599	1.5
211.14874	4.4
213.16418	6.2
215.17909	1.6
217.19560	1.6
225.16360	2.3
227.17862	1.2
231.20941	1.2
241.19563	1.6
253.19466	1.5
255.20972	1.4
263.20270	1.3
311.23471	1.2
325.25604	1.4
363.26559	1.2
521.43817	8.5
539.44421	2.6
595.47180	12.9
613.48193	100.0
614.48584	9.8
615.35291	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11520	0.2
51.86124	0.2
56.04973	0.3
56.57275	0.2
63.02317	0.2
65.03872	2.6
67.05445	0.4
70.06495	2.0
77.03842	0.9
79.05407	0.3
82.04115	0.3
84.04417	0.5
84.08062	0.5
85.02834	1.4
86.09613	0.4
89.03852	1.1
91.05405	38.9
92.05736	0.5
95.04866	0.3
97.02853	0.2
97.06473	0.2
103.05399	1.3
104.02554	0.3
105.03345	0.4
107.04901	0.4
110.07171	0.3
111.04422	0.2
112.08659	0.3
114.36744	0.2
115.31028	0.2
117.03316	0.3
118.04142	1.6
119.04896	58.8
120.05200	0.9
120.08050	0.3
122.03590	0.4
129.03308	0.5
129.10164	0.3
131.04869	0.3
132.02051	3.1
133.02823	0.5
135.04385	1.1
136.05199	1.5
141.28616	0.2
145.02893	1.5
146.03618	3.6
147.04388	51.2
148.04744	0.9
149.02292	2.1
151.03802	0.2
157.03949	4.0
157.71342	0.2
162.03113	0.5
163.03937	0.3
164.04642	2.6
171.06516	1.2
174.03101	3.8
175.03870	71.2
176.04228	2.0
179.06990	5.3
181.04919	14.3
183.60712	0.2
192.04124	8.0
193.04663	0.3
200.14233	0.3
207.06494	100.0
208.06874	3.1
226.11723	0.2
255.06522	2.3
256.06891	0.3
287.05368	1.1
288.05701	1.4
289.05917	0.9
315.32327	0.3
614.21960	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	5.1
53.04090	0.5
53.98389	0.5
55.01804	1.2
55.05442	3.4
56.04959	0.9
57.03370	1.3
57.22911	0.4
57.58643	0.5
61.02842	3.6
67.05405	1.0
69.03352	17.1
69.07001	5.5
70.06506	6.3
71.04910	4.5
72.08062	2.1
73.02467	0.5
73.02833	4.9
73.15153	0.5
74.57183	0.6
79.05403	1.2
81.03339	16.8
81.06967	1.2
83.04886	2.2
84.04413	5.5
84.08067	11.1
85.02830	77.1
86.03164	0.7
86.09641	3.7
87.04382	0.7
91.03853	0.9
91.05395	2.2
91.98540	0.5
95.04910	1.0
97.02826	28.9
99.04388	47.8
101.02319	0.7
102.05456	0.9
103.03880	97.1
104.04218	0.9
105.06972	0.9
107.04884	2.1
109.02835	23.5
109.06479	0.6
109.10069	2.4
110.07111	5.5
111.11628	0.6
115.03867	1.2
116.98562	1.0
119.04864	0.9
119.08496	0.5
120.08012	1.3
121.06498	0.7
123.04341	0.7
125.02276	0.7
127.03879	100.0
127.08636	0.5
128.04160	1.5
129.10222	4.3
133.10069	0.6
134.99643	0.8
136.07539	1.0
137.09581	4.6
138.09911	0.9
143.08536	0.5
145.04947	40.4
145.10092	0.7
147.08093	0.7
151.03790	0.6
159.11746	0.7
161.09579	3.6
162.09933	0.9
163.05986	41.2
164.06387	0.7
165.09102	2.8
169.04961	0.8
175.03857	0.7
177.00757	0.7
184.07254	0.6
187.05917	3.5
199.05815	0.6
201.00726	0.7
205.07030	0.9
207.10112	1.0
253.06984	1.0
271.08109	8.4
289.09143	7.2
307.10205	20.3
308.10300	0.6
316.62607	0.6
330.52429	0.6
345.02814	16.9
346.03036	1.8
349.11188	2.3
357.02789	0.9
363.03781	22.0
364.04004	2.5
369.02661	0.8
387.03897	1.2
433.13214	2.3
451.14230	2.2
513.06879	0.7
531.07971	5.7
532.07556	0.9
549.09204	5.9
554.09308	0.8
636.38727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.33
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	0.5
53.03880	1.0
55.01817	0.9
55.05188	0.8
55.05453	23.4
56.30363	0.5
57.03376	10.8
57.07012	3.3
65.03865	1.0
67.05431	51.4
68.05759	0.6
69.03352	0.6
69.06613	0.9
69.06990	24.9
71.04900	0.8
71.08543	0.7
71.20998	0.5
75.04378	0.8
79.05419	13.8
81.03356	5.5
81.06976	51.5
83.04899	1.3
83.08545	8.7
85.06476	1.1
87.05545	0.5
91.05409	7.6
93.06970	15.6
95.04915	0.6
95.08538	40.0
97.06459	3.2
97.10135	5.1
98.98401	40.6
99.08084	0.5
105.06995	5.8
107.08529	9.5
109.02840	5.8
109.06464	0.6
109.10107	13.9
111.08037	1.1
116.99467	2.4
119.04934	0.6
119.08518	5.4
121.10109	6.1
123.11659	4.3
133.10098	5.1
135.11638	3.6
137.13237	1.1
147.11656	3.4
149.13243	1.0
151.14761	0.8
155.01016	18.3
161.13191	2.3
163.14767	1.2
173.02084	2.7
175.14749	1.8
177.16370	0.9
184.07260	0.7
191.21178	0.5
211.87462	0.5
245.22633	3.3
261.03595	2.0
263.23605	5.6
298.30176	0.5
317.06314	4.3
319.26266	0.9
335.07327	1.2
337.27307	100.0
338.27731	3.6
425.28854	2.6
463.09921	0.6
561.28094	7.4
579.29272	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	1.4
53.99150	0.7
54.26720	0.8
54.81320	1.2
55.05443	3.8
57.07012	58.9
67.05408	0.9
69.06986	5.8
71.08544	42.0
73.06457	7.5
73.41987	0.8
76.55499	0.8
81.06989	1.7
83.08528	0.9
85.10104	24.0
87.04399	7.9
87.73964	0.9
89.05952	100.0
90.06281	1.1
99.11662	2.0
107.06999	4.7
113.13229	2.1
117.09089	3.9
119.04941	1.8
123.42615	0.9
126.68324	0.9
127.14836	1.0
131.07074	1.3
133.08574	40.5
169.43240	0.9
177.11171	15.8
183.21010	3.7
207.06418	1.7
221.13780	3.9
240.68387	0.9
248.16702	0.9
266.18878	1.0
271.26187	1.7
283.17471	1.8
307.00839	1.1
309.19244	1.0
315.28922	2.0
327.20020	2.2
415.25232	13.3
496.67862	1.2
597.45709	16.4
598.45837	1.8
614.48096	9.7
632.40228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54163	0.8
54.81578	1.2
55.01802	6.7
55.20173	0.9
55.64899	0.8
61.17924	0.9
62.04954	0.9
67.05426	1.1
69.06960	1.4
70.06503	1.0
70.94946	0.9
73.02842	1.6
76.02121	4.3
79.05389	2.1
80.35715	0.9
81.03326	1.8
81.05728	1.4
81.06966	4.2
84.04449	1.7
86.09624	1.4
87.02615	1.9
90.05469	4.0
91.05385	3.6
93.06968	1.8
95.08559	1.9
96.08046	2.1
97.06453	5.2
105.06938	1.0
106.06489	1.5
107.04935	1.1
107.08531	2.2
109.02847	1.2
116.01589	1.1
116.04942	0.9
120.08076	1.5
122.05984	4.0
124.07546	75.1
134.03606	0.8
134.05983	5.2
144.04391	2.2
146.05997	17.0
148.07555	4.5
152.07013	1.4
158.02679	6.7
159.02954	1.1
162.05441	2.2
163.06146	1.2
165.38356	1.2
172.03912	28.7
173.04468	1.6
174.05482	22.6
176.03773	1.9
176.07050	10.3
181.08731	1.4
184.07341	2.2
186.09082	1.2
191.05667	6.6
192.06477	3.6
193.06377	6.3
194.06706	1.0
197.10664	1.4
199.12227	1.8
204.06516	39.4
206.08083	9.1
210.09138	2.3
211.08546	3.8
211.12265	1.6
212.09407	3.8
213.10030	1.2
225.10130	10.3
226.10928	1.4
227.11722	28.1
233.05801	1.6
237.10167	2.0
238.11015	1.4
239.11681	7.2
241.09727	1.5
251.07993	1.4
251.11789	5.0
253.09659	4.5
263.08136	1.2
263.11609	1.7
265.09525	1.6
267.11282	2.1
269.09360	1.6
269.12784	21.9
270.09927	1.4
270.12906	1.3
271.10703	5.9
271.14090	2.2
279.11157	2.1
283.10681	11.7
284.11462	7.7
285.12305	1.7
287.13867	41.7
288.14297	1.7
295.10767	1.5
297.12195	23.6
298.12878	2.3
300.11670	1.2
301.12048	6.5
302.13062	1.5
312.15009	1.5
313.11914	1.8
314.12820	1.9
315.13370	14.4
316.14258	9.6
317.15121	1.4
321.08694	1.2
322.10809	1.4
323.09958	1.6
326.16571	1.2
328.14200	5.0
329.11459	3.9
329.14896	14.3
330.12296	2.6
330.15784	10.2
331.16653	12.0
342.12326	10.7
342.15988	1.4
343.13077	6.9
344.17627	8.9
354.15933	1.8
355.13196	1.8
356.13879	7.9
357.14902	2.4
358.15378	15.1
369.11029	1.5
370.11551	4.0
370.15399	5.4
372.16931	8.1
373.17233	1.5
380.13901	1.2
382.11856	4.8
383.12436	1.9
384.13324	17.8
385.13977	5.8
386.14529	7.0
386.19061	1.3
390.17865	6.6
398.14841	20.7
399.15674	38.1
400.16461	45.2
401.16757	5.6
402.14368	1.5
412.16376	1.5
414.18222	10.9
415.18414	1.9
416.15744	2.1
417.16971	8.0
418.17346	12.9
430.17667	4.7
431.18011	2.0
440.15591	5.1
444.15308	3.9
449.15866	1.1
458.17007	28.2
459.17828	20.2
460.18411	4.0
467.16855	1.2
490.19455	1.7
491.20444	1.2
541.23846	5.3
565.24036	1.9
583.25409	100.0
584.25922	12.0
615.27667	4.4
628.91083	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88216	3.6
54.81792	4.2
65.88915	3.8
81.44229	3.6
86.09612	8.1
87.50491	3.8
130.16727	4.0
249.10127	23.8
251.11673	6.0
262.10889	6.8
263.11722	100.0
264.12393	7.0
265.13358	9.9
277.09598	25.9
279.11224	38.3
289.09503	5.8
291.11163	39.3
292.11877	9.8
295.10751	25.8
305.32745	5.2
309.12286	68.4
310.12476	6.1
311.13666	5.8
318.09891	7.1
323.13889	69.2
324.14270	7.5
327.08344	4.4
336.10974	48.0
337.11548	33.9
367.12683	24.6
368.13629	51.3
369.10776	4.1
369.14346	59.0
370.15012	22.5
388.88916	4.9
459.16800	4.7
462.20004	22.3
492.21194	46.8
494.22626	33.7
514.36920	4.6
561.79474	4.4
583.25140	20.6
618.59833	4.9
629.20618	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	615.281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81496	1.1
56.85042	1.0
58.16474	0.9
59.51331	1.0
63.13149	1.0
64.08728	1.0
65.07781	1.1
68.04910	1.5
69.07002	1.4
79.05393	1.5
81.05717	1.1
92.10265	2.4
93.06996	1.2
96.08041	2.8
118.06525	1.5
120.08039	1.6
122.05971	5.5
124.07555	77.6
134.05998	5.0
136.07475	1.3
144.04413	4.8
146.05980	22.5
147.04327	1.1
147.06740	1.2
148.07553	2.7
162.05466	5.5
163.42281	1.1
166.27544	1.0
172.03900	33.8
173.04689	2.5
174.05473	18.8
174.06886	1.7
176.07051	11.0
184.07123	1.1
190.04939	2.2
191.05659	8.8
192.06540	1.8
197.10675	1.3
199.12238	4.1
204.06541	39.7
206.08139	7.0
210.09190	2.1
210.11458	1.5
211.08638	5.5
212.09378	2.2
213.10167	1.9
223.08559	1.8
225.10158	11.0
227.11768	29.7
235.08493	1.3
237.10239	1.6
238.10995	1.2
239.11711	8.3
240.12276	1.6
241.09625	2.0
241.13353	1.9
249.10089	1.7
250.11116	1.4
251.08185	1.6
251.11691	7.3
252.12337	1.5
253.09595	2.1
255.07626	1.7
265.09708	4.6
267.11270	1.6
269.12805	23.5
271.10645	5.7
277.09692	1.7
279.11258	2.2
283.10760	9.1
284.11465	7.4
285.12363	2.4
287.13852	34.8
288.14352	1.9
291.10950	1.3
295.10663	2.0
297.12305	20.1
301.11969	5.6
302.12729	4.6
314.12903	4.2
315.13358	15.2
316.14413	10.3
317.15021	1.3
321.12344	1.7
323.10065	1.6
326.16449	1.3
328.10873	1.5
328.14459	5.3
329.11380	5.7
329.15015	16.5
330.12234	4.8
330.15887	11.2
331.16711	9.1
332.17416	1.8
341.12222	1.3
342.12265	12.6
342.15866	1.5
343.13019	6.9
344.17331	8.5
354.15991	1.7
356.13785	8.2
357.14468	7.4
358.15506	11.9
359.15948	1.3
366.12405	1.4
368.13605	1.3
370.11407	3.9
370.15500	5.7
371.16293	1.8
372.17145	8.4
380.14011	1.7
382.11816	5.0
383.12546	2.6
384.13245	19.4
385.13940	6.6
386.14386	9.1
386.19080	2.5
388.16650	1.8
390.18127	8.1
398.14877	23.0
399.15674	35.9
400.16486	49.3
401.16708	2.4
402.13971	1.7
414.18042	6.9
416.15869	2.7
417.16754	11.3
418.17545	9.3
422.15106	1.4
430.17377	2.0
431.18457	2.6
440.15842	2.2
441.16199	1.6
444.15466	4.8
458.17114	28.5
459.17584	17.7
460.18317	5.9
490.19394	2.5
491.20087	2.5
541.24402	1.9
565.24323	6.6
583.25464	100.0
584.25873	8.3
615.27594	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02301	0.2
51.85365	0.1
53.03886	1.1
54.04653	0.1
55.01807	0.3
55.05431	0.2
55.22341	0.1
57.03355	0.2
62.49299	0.2
63.49866	0.1
65.03535	0.3
65.03863	7.5
67.05424	3.5
68.02554	0.2
68.99690	0.2
69.03336	1.1
69.06961	0.2
70.06499	0.3
71.04903	0.3
73.02846	0.2
76.02169	0.1
77.03836	0.2
79.05399	1.1
79.31407	0.1
81.03346	0.3
81.06957	0.7
82.00478	0.2
82.04116	3.0
84.08051	0.9
85.02825	5.3
86.09614	0.7
91.05412	0.2
91.26009	0.2
93.03316	1.3
93.06959	0.3
95.04900	3.9
95.08546	0.5
97.02812	0.9
97.06454	2.5
98.47653	0.1
102.78821	0.2
103.89589	0.2
105.03336	25.9
105.06979	0.3
107.08523	0.3
108.02036	1.7
108.30157	0.2
109.02769	0.2
109.10094	0.3
110.03606	3.6
111.04376	2.5
117.17202	0.2
119.08540	0.2
123.00703	0.3
123.04338	0.3
124.07575	0.2
125.05933	2.5
127.03880	0.4
133.10019	0.2
137.02298	0.3
137.09641	0.2
138.03087	1.8
139.03836	0.2
142.02576	2.9
153.05466	0.4
161.09587	0.3
165.09151	0.3
171.06482	10.2
181.04916	100.0
182.05283	1.6
184.07289	0.2
185.13335	0.2
231.85445	0.2
251.05496	0.3
279.04965	1.8
383.07538	1.5
400.15723	0.2
419.18079	0.2
477.10052	0.3
583.25250	0.2
603.90436	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	616.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	2.7
55.01814	6.6
55.05443	0.6
56.04972	1.3
56.96484	0.9
57.03371	0.6
59.69360	0.4
60.04501	0.4
61.02842	1.0
65.03871	8.6
67.05422	2.8
69.03347	2.9
70.06515	9.7
71.04910	0.7
73.02841	0.5
75.04391	6.5
77.20980	0.5
78.04633	3.6
79.05399	5.7
81.03332	1.2
81.06988	0.6
82.04114	1.0
84.04416	6.7
84.08066	3.3
85.02824	13.9
86.09618	1.2
89.03844	2.7
89.05930	1.7
91.05409	28.1
92.05724	0.8
92.34203	0.5
93.03335	21.6
93.06969	12.2
95.04894	13.8
97.02822	2.4
97.06462	6.7
102.05481	0.9
103.05410	18.8
105.03340	0.7
105.04436	1.1
105.06976	33.2
106.04118	61.6
107.04946	6.0
108.02071	0.8
109.02853	0.8
109.06440	2.1
110.03605	2.3
110.07133	2.7
111.04392	2.8
115.05414	5.8
115.08619	0.8
117.03329	1.0
118.04105	4.8
119.04889	6.9
120.08016	0.6
121.06460	63.5
122.06741	0.8
123.04391	3.1
123.08018	2.3
124.05157	2.2
125.05965	18.5
127.03859	0.6
129.10197	1.0
131.04906	7.2
131.05930	0.8
133.06456	31.0
134.03595	7.9
134.06813	0.5
135.04393	3.8
135.07910	0.7
137.05945	10.1
138.03162	0.8
138.06712	3.2
139.07523	6.3
142.02583	0.7
143.06047	2.2
145.02823	3.4
146.99695	0.6
147.04398	4.3
148.05208	6.7
149.05962	92.3
150.06363	2.3
151.03873	1.2
151.07570	5.2
152.04620	0.6
152.08310	2.1
153.05452	5.3
153.09082	21.7
155.82857	0.5
160.00572	0.6
161.05951	41.9
162.06517	0.8
163.03868	1.1
163.07503	7.4
165.05327	0.7
166.06207	2.0
167.07005	16.8
171.06493	4.9
175.03871	3.9
176.04408	2.4
177.05441	43.7
178.05751	1.1
179.06917	0.6
181.04930	48.3
181.08548	32.9
182.05237	2.6
191.06993	17.1
193.08571	28.5
193.10327	1.0
207.06483	6.7
208.06888	2.8
209.08070	100.0
210.08432	3.1
226.18480	0.5
271.91977	0.6
287.04324	0.8
290.45984	0.6
297.02097	0.5
327.01685	0.6
335.05618	0.5
345.02597	3.8
363.03610	2.4
369.13254	0.7
387.14233	2.7
479.86002	0.7
512.35315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	2.1
55.75297	0.3
56.04981	0.8
56.96505	6.1
57.03373	0.3
58.06526	0.8
59.89396	0.3
60.08096	8.5
60.37198	0.3
67.05421	3.5
68.05753	0.5
69.06975	2.0
71.07288	4.7
72.08034	0.5
79.05400	0.7
81.06973	3.2
82.07301	0.5
83.08545	0.4
83.68662	0.3
86.09624	18.4
89.30995	0.3
91.05427	0.7
93.06960	1.4
95.08526	2.8
96.08852	0.4
98.76814	0.3
98.83139	0.3
98.98409	4.4
102.92514	1.3
104.10677	100.0
105.11015	1.3
107.08543	0.5
109.02809	0.4
109.10095	0.5
128.98532	0.4
145.36664	0.4
146.99649	2.2
151.52275	0.4
154.94154	2.4
155.01067	1.7
155.03738	0.5
161.01146	0.4
172.95172	6.3
180.95679	2.1
184.07224	0.4
190.96240	7.5
198.96745	13.5
210.96759	0.6
213.97859	0.4
216.97824	21.9
228.97731	3.1
234.98915	0.8
235.06854	0.4
239.99432	0.4
254.99255	1.4
258.04068	0.4
297.13742	0.5
314.06827	0.4
317.17828	19.5
318.18082	0.5
335.18863	15.5
336.19208	0.6
337.27231	2.2
338.27661	3.5
339.28000	0.8
358.20453	1.4
359.20309	0.4
373.20746	0.5
437.17996	0.4
445.11661	0.4
453.17026	2.2
454.04929	0.4
471.18335	3.1
483.63669	0.4
497.19611	2.5
500.24432	5.7
556.27026	14.6
616.29083	9.7
636.80664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21090	0.8
58.55191	0.9
60.58224	1.2
65.69893	1.0
69.30637	1.2
84.33247	1.0
95.31234	1.3
104.16225	1.1
108.08038	1.2
122.05958	1.8
124.07556	22.1
136.07562	14.1
146.05980	12.0
148.07559	10.9
152.07077	1.8
164.07047	14.4
166.08607	14.4
172.03937	5.7
173.04619	1.6
174.05505	6.3
176.07008	13.1
190.04918	1.9
203.68466	1.0
204.06488	5.4
223.65160	1.4
224.78925	1.3
225.10123	1.5
227.11685	1.5
235.12257	2.4
236.12907	1.2
237.10120	10.1
237.13855	1.8
238.10915	14.1
239.11710	13.9
245.12735	1.6
248.09354	3.9
249.10147	4.3
250.10925	6.2
251.11775	13.2
253.13281	2.5
262.10977	1.1
263.11731	19.5
264.01556	1.2
264.12344	2.1
265.09656	6.2
265.13290	29.4
266.10388	1.9
267.11166	6.4
269.12781	5.4
271.14297	11.4
275.11682	1.5
277.09674	4.3
277.13052	2.4
278.10294	2.7
279.11227	100.0
280.11813	8.4
281.12622	2.3
284.11389	1.4
289.15439	2.0
291.11273	6.8
292.11755	2.0
293.12805	6.1
295.10785	6.3
295.14142	2.3
296.11371	2.2
297.12296	50.8
297.15594	2.5
298.12985	7.7
309.12296	37.1
310.12946	18.1
311.13605	6.0
315.13373	1.9
319.10660	4.9
321.12317	7.9
323.13721	1.2
325.11716	2.0
337.11734	49.9
338.12463	23.0
339.13309	62.5
340.13837	5.6
369.14380	11.0
370.14960	2.6
371.15866	19.2
460.18658	26.8
461.19302	1.9
462.20038	26.4
463.20496	2.6
464.21530	5.3
494.22522	10.4
545.65497	1.4
585.27026	45.4
586.26947	6.2
611.41522	1.3
617.29236	5.1
647.99872	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13906	1.3
51.62413	1.2
51.88334	1.1
52.33456	1.1
61.76742	1.3
65.71001	1.2
67.05420	2.8
76.02149	1.4
80.46745	1.2
81.06963	1.7
86.09636	1.6
93.06990	2.4
93.97692	1.3
94.06507	1.5
95.08548	3.3
107.08546	2.7
109.10086	1.9
119.08591	2.5
122.05970	1.9
124.07537	8.3
133.10085	1.7
134.05980	2.8
136.07556	25.7
146.06024	5.8
148.07657	4.2
152.07027	3.4
161.13257	1.8
162.81134	1.7
164.07043	23.5
166.08614	7.4
172.03917	6.1
174.05623	1.5
176.07034	17.5
204.06549	5.2
210.11418	2.1
211.12314	2.4
224.12917	1.9
225.10153	2.8
235.08710	1.9
237.10126	13.9
237.13716	2.1
238.10951	13.0
239.11731	19.7
247.12157	1.7
248.09340	2.6
249.10152	5.9
250.10974	6.9
251.11740	15.9
253.13368	2.8
255.11333	1.4
257.58246	1.5
263.11740	25.0
264.12280	3.5
265.09634	7.6
265.13281	21.7
266.10349	2.0
266.13458	2.0
267.11395	4.5
269.12701	3.2
271.14355	5.5
277.13229	2.6
278.10446	2.8
279.11221	100.0
280.11908	12.7
281.12698	2.0
283.10837	2.2
283.14175	1.9
291.10995	5.3
293.12753	6.8
295.10825	3.2
297.12317	54.7
298.12903	6.8
299.13940	1.9
309.12256	63.1
310.12970	16.8
311.13763	11.6
319.10745	2.3
321.12225	8.8
337.11722	35.3
338.12558	17.3
339.13324	64.1
340.13693	3.1
354.10449	1.7
369.14352	38.8
370.14969	11.2
371.15921	53.4
372.16302	2.8
460.18542	14.6
461.18997	1.9
462.20401	12.6
464.21332	2.0
494.22751	57.4
495.23352	2.5
573.80066	2.0
585.26990	51.5
586.27167	1.7
617.29449	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	617.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05429	0.4
63.84907	0.2
66.88996	0.3
67.05423	0.5
69.03340	0.3
69.06977	0.7
76.02152	0.3
79.05389	0.7
81.06953	2.0
85.02802	2.1
91.05363	0.5
93.06963	0.6
94.06483	0.3
95.08546	2.9
95.09048	0.3
99.04385	0.4
103.03869	0.6
105.06947	1.2
106.06481	1.2
106.36621	0.4
106.59470	0.3
107.08514	2.0
108.08022	0.4
109.02808	0.3
109.10101	1.4
119.08507	1.5
121.10058	1.5
122.05936	1.1
123.11700	0.4
124.07559	7.5
127.03852	1.1
133.10103	1.2
134.05983	0.7
135.11674	0.5
136.07553	14.4
145.10165	0.6
146.05988	6.2
146.09671	0.6
147.11665	0.5
148.07571	6.4
149.13234	0.5
150.09102	0.6
152.07004	2.4
158.02757	0.5
158.05888	0.3
161.13278	0.5
162.05467	0.5
163.05989	0.5
163.14816	0.6
164.07043	11.0
166.08574	1.8
172.03909	1.4
173.04535	0.5
173.13307	0.4
174.05478	2.9
174.09033	0.4
175.14790	0.4
176.07034	16.2
190.05023	1.3
191.05766	0.5
192.06497	0.6
197.10738	0.4
203.03200	0.3
203.17984	0.5
204.06451	0.7
209.10735	0.7
210.11493	0.6
211.12247	1.9
218.08185	0.4
221.10757	1.3
222.11331	0.4
223.12222	2.0
224.09381	1.4
224.12794	1.2
225.10071	2.4
225.13705	0.7
226.10858	0.4
227.11751	2.0
229.13597	0.4
235.08603	0.4
235.12277	2.1
236.13033	1.7
237.10161	5.6
238.10941	11.2
239.11742	8.8
240.22479	0.3
245.12938	0.3
248.09410	0.4
249.10143	1.8
250.10905	2.0
251.11702	6.9
252.12480	1.6
253.13177	2.5
255.11151	0.7
261.10196	0.5
262.08447	0.4
262.10956	0.3
263.11765	4.7
264.08832	1.4
264.12305	0.7
265.09714	3.3
265.13303	13.2
266.10428	1.8
266.13736	0.3
267.11267	3.7
269.12738	3.2
270.13309	0.4
271.14313	5.5
275.11761	1.8
277.09720	2.1
277.13287	3.0
278.10422	3.1
279.11224	100.0
280.11841	11.0
281.12714	3.0
282.13443	0.5
283.10623	2.1
283.14285	2.1
284.11551	0.6
285.12329	1.2
287.13934	1.5
291.11191	1.7
292.11993	0.6
293.12851	4.8
294.13516	1.1
295.10660	1.5
295.14249	1.9
296.11459	2.4
297.12283	44.9
298.13052	5.3
299.13904	1.2
309.12299	12.4
310.13040	6.4
311.13895	3.0
315.13226	0.5
319.10608	0.6
321.12292	8.8
322.12784	1.3
323.10172	0.5
323.13712	0.6
324.10901	1.5
325.11780	2.7
330.12531	0.4
332.17484	0.4
337.11774	16.3
338.12537	8.5
339.13327	71.3
340.13757	4.6
369.14328	1.5
370.14893	0.4
371.15967	6.8
372.16891	0.6
383.16412	0.3
387.15201	0.5
400.16388	2.6
402.18176	1.4
418.17456	0.5
422.20578	1.1
423.35928	0.7
432.18979	0.4
442.17593	1.8
443.18015	0.4
460.12143	0.5
460.18582	14.5
461.18988	1.9
462.20145	11.2
463.20663	2.0
464.21759	2.8
494.22772	1.8
521.83325	0.4
567.25671	0.6
585.26978	53.0
586.27423	5.2
617.29333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25269	3.6
50.61192	3.5
55.05449	5.0
60.05574	3.6
67.05428	7.5
69.06962	4.9
70.06523	38.8
70.23067	3.4
70.53188	4.7
72.08047	4.9
78.71259	4.4
80.34103	4.5
81.06977	10.9
83.79443	4.9
85.02807	6.6
88.15581	3.9
92.10945	7.5
95.08546	17.5
97.02789	4.9
98.09758	4.1
107.08530	6.9
112.08689	6.0
116.07085	5.4
119.08542	5.3
124.07555	23.0
133.09995	4.6
136.07535	19.5
158.09198	8.7
164.07065	8.5
172.03903	5.7
175.11972	4.8
176.07013	6.2
204.06517	18.9
237.13914	5.0
239.11873	6.0
248.09337	5.5
249.10255	6.1
251.11789	9.4
263.11789	42.8
265.09564	8.6
265.13336	41.8
279.11240	65.9
291.11206	10.4
297.12335	35.0
309.12259	88.3
310.12991	35.6
311.13776	10.1
337.11899	37.3
338.12393	9.1
339.13199	20.5
369.14413	79.6
370.15149	10.0
371.16077	5.8
400.16409	6.7
460.18185	10.6
462.20099	7.5
494.22864	100.0
495.23166	5.8
567.26312	5.2
585.26428	29.0
617.40894	38.2
627.56177	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	617.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81965	4.8
55.05449	20.3
57.07005	4.8
59.04913	5.2
60.84814	4.6
66.09342	4.3
67.05429	19.6
69.06985	22.9
72.78384	5.0
79.05415	9.8
81.06978	56.6
83.08517	5.2
84.66081	5.4
85.02822	9.3
91.05405	26.1
93.06972	32.5
95.01244	21.8
95.08553	100.0
105.06980	53.4
107.08520	71.0
109.10110	61.2
112.40844	4.6
113.06017	5.1
119.08516	53.4
121.10109	46.6
123.11672	12.4
131.08531	11.2
133.10135	46.3
135.11691	24.3
141.01816	45.9
145.10120	30.7
147.11664	22.4
149.13234	11.2
157.10165	6.5
159.11633	12.8
161.13249	23.9
163.14751	11.3
173.13214	19.3
175.14830	10.8
177.16423	11.2
184.10918	5.8
187.14726	11.1
189.16354	21.2
201.16396	9.0
201.39941	6.1
203.17955	8.9
205.15845	7.0
205.19403	8.4
217.19540	8.6
300.55722	5.1
357.81329	5.1
405.35263	9.4
423.36148	29.1
487.19681	6.1
578.71289	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	617.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03869	2.7
55.05444	23.6
57.03371	3.3
57.07010	7.9
64.43816	1.6
67.05428	32.9
69.06985	35.6
70.06509	8.2
71.01260	3.4
71.04911	2.1
71.08503	1.8
73.02825	3.5
73.50769	1.5
79.05403	26.6
81.06971	57.1
83.08113	1.7
83.08519	15.1
84.04417	2.9
84.08053	11.0
85.02824	14.8
85.06450	8.4
91.05392	26.4
93.06973	56.6
95.01234	3.3
95.04898	7.8
95.08532	91.7
97.02774	1.7
97.06425	2.8
97.10107	3.9
99.08012	3.5
105.06976	67.3
107.08535	100.0
109.10103	75.1
111.08062	2.0
113.02281	3.1
113.09544	1.9
117.06973	8.2
119.08530	91.7
121.10094	68.6
122.05950	3.2
123.08008	2.4
123.11642	24.1
125.09558	2.2
127.03821	2.5
129.06929	2.1
129.10216	2.9
131.03340	2.6
131.08537	23.5
133.10095	73.9
135.11652	51.8
137.13222	7.8
140.06999	8.2
141.01802	3.3
143.08495	3.1
144.09358	2.4
145.10094	43.8
147.11667	50.3
148.07541	10.2
149.13234	25.9
151.11127	4.3
157.10098	6.7
158.10831	1.9
159.11661	49.4
160.12181	1.9
161.13206	39.3
163.14781	16.0
171.11624	4.0
173.13216	29.7
174.13988	2.6
175.14787	26.2
177.16289	3.8
181.04875	2.7
182.05260	2.3
185.13109	2.5
187.14755	16.4
189.16324	41.4
191.17902	56.5
197.13280	3.0
199.14792	2.7
201.16350	25.4
203.17879	23.9
205.19470	2.3
207.17371	2.5
213.16362	3.0
215.17900	26.1
217.19440	11.6
219.17368	14.5
227.11649	2.0
229.19524	2.2
233.18947	34.5
275.23752	2.0
287.13715	11.9
374.26434	1.9
399.75366	2.0
405.35071	8.6
423.36133	69.2
424.36343	3.4
599.39020	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03861	2.0
55.05454	17.3
57.03363	4.0
57.06998	3.7
64.32415	1.6
65.03838	1.8
67.05432	26.5
68.35561	1.4
68.64796	1.6
69.03354	2.3
69.06987	19.9
71.01253	3.1
72.61345	1.5
73.02812	3.5
76.02128	2.9
77.40968	1.6
79.05404	15.6
81.06974	48.7
83.08527	11.7
85.02825	34.8
90.37383	1.5
91.05434	14.8
93.06973	48.6
95.01257	3.6
95.04849	1.7
95.08532	100.0
97.10079	2.8
99.20666	1.9
101.02313	2.2
103.03876	7.8
105.06973	46.4
107.08536	75.6
109.06427	3.6
109.09393	3.2
109.10106	66.1
111.08009	6.8
113.02287	2.2
117.06884	1.7
119.08548	58.7
121.10084	48.9
123.07988	2.0
123.11658	18.4
124.07509	7.3
125.09596	1.6
127.03988	1.6
129.06987	2.8
131.03383	2.4
131.08534	17.6
133.10095	53.4
135.11655	38.6
137.13234	6.8
139.11157	4.2
141.01817	8.5
143.08488	3.2
145.10109	25.1
147.11655	39.2
149.13246	25.8
151.11067	2.0
157.10162	5.9
158.02705	2.6
159.02870	20.4
159.11652	29.9
161.13226	34.5
163.14751	20.5
165.12648	2.4
171.11629	9.0
172.03818	2.0
173.13248	20.0
175.14761	24.4
177.03886	9.8
177.16277	18.0
185.13182	6.9
187.14838	14.7
189.16364	16.0
191.17850	9.7
199.14748	3.5
201.16351	11.5
203.17921	24.2
204.06453	1.9
207.17393	2.6
210.51210	1.8
214.16917	1.8
215.17812	11.7
217.19458	10.3
219.17389	9.9
221.19029	3.0
227.17908	8.2
229.19482	24.4
233.18991	2.6
235.20676	2.0
243.20961	3.0
247.20505	9.3
253.19225	1.9
255.21091	3.4
257.22458	2.1
269.22623	2.7
275.23480	2.0
365.31931	2.2
385.13763	2.6
400.15637	2.2
405.35043	7.2
423.36270	29.9
440.86908	2.0
441.37134	12.4
460.17856	2.4
581.37781	11.7
585.26068	14.4
599.39172	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	617.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05465	17.5
57.07010	7.9
67.05422	35.1
69.06991	37.1
79.05409	16.5
80.98370	8.5
81.06981	77.6
82.73808	8.0
83.08556	10.9
83.61536	7.8
85.02847	20.8
91.05394	9.4
93.06973	53.1
95.08531	100.0
105.06954	67.1
107.08553	81.1
109.10091	75.3
116.00314	8.0
119.08548	74.7
121.10101	58.1
121.48387	10.6
123.11678	14.4
131.08507	12.9
133.10109	61.5
135.11673	12.9
145.10104	16.3
147.11708	21.2
151.11044	8.7
159.02820	13.2
159.11671	12.6
161.13251	35.8
163.14838	12.7
175.14833	13.1
177.16374	14.2
184.07323	13.1
189.16254	16.8
201.16351	18.2
203.17917	18.3
215.18033	9.2
423.36020	34.1
585.26276	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	617.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	6.1
57.06998	3.4
57.47960	1.4
59.81010	1.3
61.18961	1.2
64.33305	1.5
67.05413	6.7
67.84724	1.5
69.06979	10.9
71.08537	13.0
72.04432	97.6
79.05405	2.3
80.25436	1.4
80.53522	1.4
81.06983	11.1
83.08558	2.4
89.92397	1.3
93.06972	5.9
95.08529	6.4
96.90046	1.9
97.06477	2.5
97.10080	1.8
99.08019	3.7
100.07535	2.3
105.07011	2.0
107.08530	7.4
109.06461	2.9
109.10126	3.3
114.09106	12.5
128.10684	7.3
142.12244	3.0
156.13811	2.1
165.12715	6.8
226.21593	2.1
238.21712	15.5
244.32300	1.8
264.84851	1.5
282.27835	59.0
283.28137	3.5
291.22989	10.8
299.99658	1.9
336.28903	100.0
337.29242	6.7
452.22943	1.8
473.68256	1.8
489.36874	1.9
492.16617	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59948	1.1
53.03881	6.4
53.70852	1.1
55.01814	8.5
55.05453	5.4
55.63512	1.1
56.96488	1.9
57.03371	6.4
59.15406	1.1
61.02850	8.2
67.05415	9.0
67.84489	1.2
69.03347	39.9
69.03706	2.6
69.06997	5.3
69.31041	1.1
70.06509	12.3
71.04890	10.0
72.08073	1.7
73.02828	5.8
79.05408	9.1
81.03333	29.5
81.06970	20.4
83.04883	1.8
83.08546	2.6
84.04424	5.7
84.08057	6.0
85.02824	88.8
86.09636	5.7
87.00751	46.3
87.04383	1.3
91.05405	19.7
93.06967	24.8
95.04896	7.1
95.08527	16.2
97.02821	44.4
97.06457	2.9
98.97462	1.6
99.04387	12.6
103.03860	1.6
105.01809	48.4
105.06982	29.1
106.07290	1.4
107.04925	3.1
107.08530	15.0
109.02828	25.2
109.06487	2.4
109.10126	5.0
110.07117	6.0
111.08024	1.6
116.98554	1.9
117.06965	8.1
119.04869	2.6
119.08538	17.1
120.08109	1.9
120.29318	1.4
121.06445	5.5
121.10084	7.9
123.08031	7.1
127.03871	59.3
129.01794	2.0
129.06960	9.3
129.10234	1.6
131.08525	20.2
132.08865	1.8
133.10074	14.6
135.08025	2.9
135.11662	5.4
136.71822	1.4
137.05974	1.8
137.09486	3.5
141.06963	7.6
143.08536	19.3
145.04921	17.5
145.10091	21.0
147.08035	5.4
147.11705	11.1
149.09593	9.2
155.08455	12.5
157.06497	1.8
157.10103	13.7
159.02869	6.1
159.07991	2.0
159.11623	10.3
161.09579	5.7
161.13081	1.4
163.11278	1.5
167.08435	2.4
169.10066	15.6
171.11722	7.5
173.09528	2.7
173.13260	2.3
175.11188	5.6
179.08408	1.9
181.10083	7.7
183.11620	18.9
185.13258	14.5
187.11133	1.5
187.14775	3.0
189.09024	1.3
189.12683	1.4
193.10199	3.5
193.12143	3.4
195.11601	6.5
197.09593	1.8
197.13231	18.9
199.14755	2.6
201.16299	1.6
207.11671	1.8
209.13228	3.4
211.11108	6.4
211.13260	6.4
211.14967	2.9
213.03912	2.1
213.12622	2.0
213.16206	1.5
215.14290	6.7
215.17958	8.0
217.12114	1.4
223.14754	7.8
225.12840	2.5
225.16353	38.5
226.16638	1.6
227.14246	1.9
229.12076	1.7
231.04919	10.3
235.14989	9.9
237.16322	1.8
241.15819	6.0
243.13716	1.9
243.17412	41.1
249.05855	9.9
249.13045	1.5
253.15880	75.4
254.16127	2.6
261.18430	3.4
271.16928	54.3
272.17145	2.6
285.07318	1.6
289.17957	28.4
299.16345	35.8
301.17932	5.6
305.96909	1.7
317.17441	100.0
318.17621	6.8
365.05353	1.5
397.18768	1.7
547.21472	17.9
565.22620	19.9
619.28680	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	0.8
56.04961	0.7
56.96240	0.5
56.96500	9.2
57.03366	0.4
60.08093	8.5
67.05431	3.0
69.06982	0.9
71.07288	7.1
71.95177	0.6
72.08051	1.4
81.06979	2.2
86.09622	30.4
93.06973	0.4
95.08530	0.8
102.92540	2.3
104.10673	100.0
105.06944	0.4
105.11009	0.6
105.72160	0.4
107.11973	0.3
124.99941	2.7
136.93039	0.6
146.99750	1.2
154.94104	3.0
154.95216	0.3
155.03720	0.4
157.09790	0.4
165.00662	0.5
172.95195	13.0
180.95697	2.4
181.02553	0.8
189.04504	0.4
190.96239	10.7
197.48599	0.5
198.96745	25.4
206.49162	0.6
207.05403	0.4
210.96751	2.1
216.97800	42.4
221.98271	1.3
228.97771	6.8
234.98915	1.5
239.99356	0.7
240.09860	1.6
246.98853	0.6
254.99312	3.1
258.98776	0.7
273.00391	0.6
300.05197	1.9
318.06970	0.4
319.19382	8.6
319.22888	0.7
333.07703	0.5
335.18906	0.4
337.20392	32.9
338.20969	1.9
355.21301	2.8
360.21912	1.7
368.39481	0.4
375.30707	0.4
439.19165	0.5
443.18393	0.8
455.18668	0.9
473.19666	6.1
496.20944	0.4
499.20950	3.1
502.26129	5.9
506.73553	2.2
507.23605	0.7
555.93268	0.4
558.28540	13.4
618.30652	16.8
619.31085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13854	0.5
55.05454	3.5
55.52419	0.5
56.04979	1.0
56.96495	4.4
57.03360	0.7
57.06998	0.6
60.07388	0.5
60.07834	0.6
60.08100	9.3
67.05434	3.7
69.06980	3.4
70.07304	0.6
71.07285	5.6
71.08022	0.4
76.07259	0.5
79.05399	1.2
80.17057	0.5
81.03337	0.8
81.06976	3.3
83.08540	2.7
86.09145	1.0
86.09630	19.4
93.06969	1.1
95.08527	2.9
97.10074	1.1
98.98390	4.7
102.92510	0.7
104.10680	100.0
105.11018	1.2
107.08530	0.7
109.10092	0.7
124.99937	1.0
152.08998	0.6
154.94090	1.0
155.01045	2.2
172.95218	7.1
180.95695	1.0
184.07417	1.2
190.96281	6.6
198.96771	15.5
208.12714	0.6
210.96725	0.9
216.97820	25.6
216.99899	1.1
228.97771	4.6
234.98932	0.9
246.98804	0.6
254.99464	1.2
319.19339	4.6
337.20428	22.8
339.28854	2.3
340.29028	3.9
341.29568	2.1
355.21329	2.1
360.22119	1.0
459.23181	0.6
473.19458	3.3
477.35101	1.0
499.20483	1.7
502.26135	4.3
558.28705	9.5
618.30566	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	618.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92546	1.2
53.03886	1.1
55.01810	10.9
55.05455	19.7
57.03348	1.6
57.90389	1.1
58.99520	15.4
67.05430	24.1
67.22906	1.2
69.07001	9.8
69.07300	1.1
71.04898	2.7
72.04420	3.0
73.02821	1.5
74.05987	1.4
76.02143	89.6
79.05388	10.7
79.45039	1.5
81.06982	33.7
83.04869	5.7
83.05972	2.2
83.08547	10.2
84.04428	21.8
85.02808	1.6
85.06457	2.5
86.98981	2.8
88.02160	3.4
90.05479	53.7
91.05406	14.0
91.61245	1.4
93.06973	16.7
95.04919	1.7
95.07964	2.2
95.08537	46.8
96.08858	1.7
97.06440	2.0
97.10103	3.3
102.03707	1.4
104.01623	14.5
104.88698	1.3
105.06970	18.0
107.08526	11.7
109.06438	1.7
109.10098	7.9
116.01634	32.1
119.08542	22.7
121.10100	6.6
127.20594	1.6
130.03175	1.5
130.04970	12.5
133.10092	10.2
135.11636	10.1
137.13219	2.3
141.04774	1.5
142.03239	12.5
147.11697	2.4
158.02693	98.4
159.03020	1.9
161.13225	24.6
170.02673	2.5
173.54367	1.5
175.05391	13.0
176.03743	37.1
179.14291	10.3
187.05237	2.9
191.89642	1.4
193.06403	100.0
215.04900	3.1
219.04871	1.4
233.05914	10.0
259.07214	2.0
279.11252	3.2
279.23187	2.6
297.12357	1.7
316.16376	1.4
322.10651	52.7
323.10983	2.6
326.09808	1.6
341.49744	1.5
348.34760	1.6
372.25491	2.3
462.19977	2.4
489.29617	8.0
563.42737	1.5
618.33850	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	618.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81886	1.2
55.01811	14.7
55.05450	18.6
57.06997	6.0
58.99520	21.9
64.33122	1.8
67.05430	25.4
69.06989	20.8
70.33641	1.4
72.04424	6.1
74.00570	1.9
75.93546	1.5
76.02142	71.6
79.05403	9.3
79.33804	1.4
81.06976	26.8
83.04948	1.9
83.06023	6.3
83.08530	16.1
84.04436	13.3
85.01040	2.0
85.02822	2.5
85.10088	3.8
86.09648	1.8
86.98965	3.9
87.02621	27.3
88.02130	6.0
90.05485	33.1
91.05370	3.5
93.06960	13.3
95.08528	26.3
97.01045	7.6
97.10082	11.2
97.42847	1.4
101.04173	2.0
104.01635	15.6
105.06963	3.3
107.08539	16.0
109.10116	19.1
113.09559	2.1
116.01623	32.1
117.06976	1.6
119.08565	6.7
121.10090	8.4
125.09598	7.4
126.05424	3.2
127.03893	2.0
129.06595	2.3
130.03214	6.5
130.04977	1.9
132.89510	1.6
133.10094	6.9
135.11670	6.6
142.03181	7.3
143.08885	16.3
145.10109	2.5
149.13263	2.8
153.12685	7.1
157.09888	1.7
158.02687	100.0
165.07439	2.5
175.05328	11.0
175.23833	1.6
176.03717	24.0
184.07211	3.3
187.05360	7.0
188.53412	1.6
193.06398	65.5
215.04878	2.0
226.42764	1.5
233.05884	9.1
261.22025	3.3
279.11139	6.5
279.23038	11.6
280.11563	5.9
298.12436	1.7
311.20609	2.0
322.10626	7.1
339.13327	8.3
340.13422	3.0
354.24640	6.1
372.25671	10.8
471.28769	55.5
472.28439	6.7
489.29892	16.5
529.29474	2.3
586.26733	6.3
613.31696	1.7
618.34186	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99010	0.3
53.03881	2.3
53.89460	0.4
55.01803	2.5
56.19700	0.3
57.03357	1.0
61.02849	0.7
62.48607	0.5
64.33173	0.5
65.03871	0.4
67.26466	0.4
69.03345	6.4
69.06946	0.5
70.06500	3.2
71.04888	0.4
73.02826	0.7
74.37310	0.4
78.04625	2.8
79.05406	7.7
81.03337	5.4
81.06963	1.7
84.04430	0.9
84.08058	1.0
85.02821	8.8
86.09612	2.9
87.00757	4.2
89.03806	0.9
91.05408	6.3
93.06948	0.4
95.04906	3.1
97.02814	2.8
99.04395	1.1
103.05399	2.5
105.01822	1.0
105.06977	9.5
106.04092	2.0
107.04904	13.6
109.02805	4.2
109.06450	0.5
110.07083	0.5
115.05415	4.8
116.06199	0.6
117.03311	0.9
117.06953	1.1
118.04092	1.8
119.04891	2.1
119.08524	3.2
119.12343	0.4
121.06451	1.8
123.04384	8.0
124.05198	4.3
125.05939	1.9
127.03888	4.4
128.06184	3.4
129.06970	12.4
130.04131	0.7
131.04877	4.7
131.08501	0.5
132.05678	3.3
133.06441	6.1
135.04379	0.5
136.07559	4.8
137.05956	1.1
141.07072	0.5
143.04880	0.6
144.05696	0.8
145.02779	0.7
145.06467	2.4
146.07365	0.5
147.04376	0.8
147.08055	5.0
149.05937	1.7
151.03879	2.2
152.04625	3.9
153.05469	2.3
155.04878	1.1
156.05684	1.0
157.06444	0.6
159.02884	0.9
159.04317	0.5
159.08000	8.3
159.09172	0.7
160.05142	2.0
161.05948	6.7
161.09637	1.0
166.71510	0.5
167.07001	100.0
168.05731	0.6
168.07346	1.9
169.06496	0.5
171.08035	1.7
172.05145	2.9
175.07515	20.1
176.04634	2.6
177.05423	3.1
178.07727	1.0
179.08476	0.5
181.04953	0.8
181.06441	0.5
184.05223	1.7
187.07501	20.6
187.09132	1.0
189.06947	2.4
189.08969	0.8
190.07748	2.0
191.06990	6.6
191.08488	0.7
193.08398	0.7
193.10077	0.5
199.07510	8.1
201.09171	0.5
202.07741	1.8
203.08524	3.2
205.06491	0.8
206.07269	2.9
207.07983	1.1
209.08171	0.9
215.08525	2.1
217.06491	1.8
217.08600	0.8
218.07220	3.0
219.08006	2.9
220.08777	0.6
221.09586	4.7
222.06723	0.5
229.06415	1.0
230.07121	0.5
231.07986	4.1
232.08833	1.0
233.09628	3.9
234.06715	4.8
235.07451	2.6
245.06027	0.6
245.09435	0.6
246.06677	2.9
247.07436	2.4
248.08272	0.9
249.09023	7.4
250.09740	1.0
251.07043	2.7
255.06332	0.9
258.06555	0.6
259.07602	0.9
260.08292	0.9
261.09116	4.7
262.06332	0.9
263.06958	2.0
265.08514	0.9
266.09335	0.8
271.05759	0.9
274.06207	2.0
275.06937	1.7
276.07803	0.6
277.08453	4.0
278.09256	2.6
279.06598	0.9
279.09839	0.8
281.11703	8.3
289.08560	4.2
290.09183	1.9
291.06772	0.4
291.10071	1.0
292.10980	0.5
293.08017	0.9
293.11697	1.9
294.08832	2.3
295.09601	1.0
303.10229	0.7
305.08167	0.5
306.08780	1.1
307.09515	1.0
309.11154	5.6
310.11945	1.8
311.09161	0.9
314.86639	0.5
316.70395	0.6
321.11185	5.5
322.11700	0.7
323.08984	0.6
324.82465	0.6
326.11264	2.1
338.11337	1.0
341.13733	22.9
342.13989	0.6
353.13712	13.1
371.14890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79954	1.1
55.05461	1.8
56.04967	5.5
56.96507	5.9
60.04446	1.3
67.05430	3.0
69.06989	5.2
70.06512	18.6
71.04898	1.8
72.08076	7.2
79.05397	1.4
81.06986	1.8
83.05994	1.3
84.04434	15.4
84.08065	27.4
84.95982	1.6
85.02837	2.4
86.09628	9.3
91.05398	2.5
92.10856	1.4
93.04417	1.5
93.06969	2.9
94.06495	8.5
95.04908	2.6
102.05470	2.9
106.06479	2.5
108.08117	2.0
110.07104	10.5
114.37392	1.4
119.08526	1.3
120.08062	8.6
122.05973	24.1
127.03880	2.6
128.80048	1.2
129.10233	7.9
136.07547	64.1
138.05525	1.6
140.07051	29.6
146.06010	15.2
146.99739	1.6
147.03288	2.2
148.07545	27.2
150.09113	2.2
152.06969	1.8
164.07033	100.0
165.04352	1.5
166.08592	30.7
172.03947	4.7
174.05411	1.5
174.09161	2.1
176.07002	9.8
190.04973	11.8
203.38048	1.5
209.10698	2.5
210.11423	2.2
211.12338	6.0
218.08064	2.2
223.12251	8.5
224.13013	3.2
225.13892	5.0
237.10141	4.9
237.13855	4.8
238.08798	1.4
238.10909	12.1
239.11754	31.7
240.12415	1.8
249.10181	1.8
250.10977	2.6
251.11748	20.5
252.12495	7.9
253.13271	14.2
260.32343	1.5
263.11639	6.3
265.10400	1.7
265.13303	28.6
266.13953	3.1
267.11224	2.8
269.12961	1.8
270.13367	1.3
271.14389	7.3
277.09744	5.6
277.13120	1.4
279.11237	70.8
280.11841	9.8
283.08209	1.8
283.14346	6.1
284.14880	2.0
287.13852	13.7
289.15427	3.2
291.11258	6.3
293.12769	18.7
295.10751	6.1
296.11560	5.4
297.12268	33.5
298.12967	8.8
299.13831	1.7
299.78632	1.5
309.12213	18.9
310.13043	11.7
311.10217	3.0
311.13831	89.8
312.14484	14.9
313.11963	3.1
313.15350	30.0
319.10709	2.5
321.12210	5.2
331.12723	1.5
337.11710	22.2
338.12564	13.4
339.13300	38.5
357.14279	2.4
400.16415	1.9
434.20566	2.3
438.20062	1.7
445.13287	2.0
452.21695	63.3
453.22354	1.9
460.18390	19.4
478.19577	11.6
480.21442	2.0
496.21390	1.6
507.13196	2.1
575.27832	2.7
601.26685	22.3
602.26392	1.7
619.25812	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	619.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52209	2.5
54.81472	2.8
55.01808	3.7
55.05442	14.9
58.05209	2.4
58.99510	6.7
64.72931	2.7
67.05421	17.5
69.06957	4.1
71.59303	3.1
72.04428	4.2
76.02145	58.1
79.05416	3.5
81.06972	26.5
81.59085	2.4
82.07290	3.2
83.08546	5.1
84.04424	13.9
90.05479	43.2
91.05367	5.8
93.06961	12.6
94.83440	2.7
95.08533	25.0
97.78221	3.0
99.57629	3.0
104.01606	6.3
105.06952	5.7
107.08508	4.8
109.93852	3.3
116.01633	17.3
119.08558	13.1
124.07550	29.8
125.09632	3.6
130.05057	3.8
133.10092	12.1
136.07552	18.9
142.03238	6.6
146.05968	6.3
148.07516	15.2
157.53625	3.0
158.02655	61.5
159.03030	12.2
161.13231	13.6
164.07036	7.4
166.08615	20.3
172.03912	3.9
175.05424	3.9
176.03706	27.2
176.07053	12.8
177.04085	3.1
179.14276	5.8
193.06424	51.9
194.06725	3.6
215.30473	3.2
225.09879	3.8
225.80496	3.1
235.12090	4.1
237.10078	6.0
238.10938	13.5
239.11632	14.3
251.11661	13.9
263.11713	12.1
264.08698	4.2
264.12555	2.9
265.10757	4.2
265.13248	35.6
269.12918	4.3
271.14191	4.8
279.11206	100.0
280.11908	5.7
281.12735	5.3
291.17023	3.5
293.12875	5.6
297.12247	70.7
298.12994	13.2
309.12289	40.6
310.12961	15.9
311.13870	3.9
321.12384	12.2
322.10583	19.9
323.10770	5.0
325.11829	4.2
337.11792	40.4
338.12451	18.6
339.13312	66.8
340.13724	3.2
368.36823	3.2
369.14529	4.2
371.15869	18.8
416.30472	3.3
462.20117	44.0
567.73602	3.4
576.13104	3.9
587.28461	81.8
588.28271	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	619.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53735	0.6
53.03906	0.6
54.41470	0.5
55.05187	1.0
55.05452	25.8
55.43477	0.7
57.06992	1.0
67.05423	13.2
69.06979	12.2
70.06516	1.6
78.45567	0.6
79.05424	5.1
81.06976	18.6
82.03708	0.6
82.06512	5.9
83.04917	4.8
83.08535	20.2
84.08071	3.4
85.02862	0.9
85.06487	0.9
91.05395	3.9
93.06979	6.8
95.08534	17.9
97.06464	0.8
97.10116	0.9
98.09637	3.7
100.07547	6.3
100.11190	64.6
105.06987	5.1
107.08582	5.2
109.06474	4.2
109.10095	8.2
110.06015	2.8
111.04396	6.7
112.07527	1.0
117.13910	1.0
119.08568	5.3
121.10087	6.9
123.11629	2.3
126.09074	1.1
127.08636	1.3
128.06992	5.6
131.08653	0.8
133.10138	3.3
135.11652	2.5
137.13298	1.2
139.08656	1.6
140.07010	1.0
145.10097	0.7
147.11658	4.9
149.13177	5.4
151.14815	0.9
161.13237	4.5
163.14876	1.3
164.45544	0.8
165.12775	1.1
175.14716	1.3
179.14288	2.6
182.15376	22.3
182.16917	1.1
202.20982	0.7
209.16475	17.2
210.14909	14.8
210.16765	1.2
226.19145	3.5
227.17607	1.0
228.15845	1.1
231.21068	4.9
249.22086	5.2
252.08032	0.7
266.24710	32.1
267.25006	0.8
279.25101	0.7
283.27454	3.9
290.90891	0.8
332.29614	0.8
336.22769	1.2
348.28824	4.1
375.30035	8.4
376.28488	2.9
392.32803	5.2
393.31125	0.7
492.41669	4.8
601.46558	8.1
609.34302	0.9
619.47797	100.0
620.48370	6.3
632.79852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81572	0.8
55.05458	0.7
56.96499	3.5
57.07007	4.1
58.87633	0.7
60.08096	8.3
64.33131	0.7
67.05418	0.9
71.07295	5.3
71.08552	1.3
73.72585	0.7
81.06956	1.5
86.09631	21.8
92.70605	0.8
95.08564	0.9
98.98411	2.8
102.11309	0.7
104.10682	100.0
105.10961	0.9
117.52544	0.7
124.99988	1.3
147.10591	0.6
155.00983	1.3
172.95201	10.2
180.95659	2.8
184.07297	3.5
190.96272	8.4
198.96768	20.0
210.96724	1.5
216.97806	33.6
228.97813	5.0
234.98882	1.0
254.99344	1.7
273.00745	0.7
300.05170	0.9
321.20972	1.2
328.53864	0.7
339.21863	13.2
342.30978	1.3
357.23166	1.5
402.41882	0.8
445.20151	0.9
475.21008	3.3
501.23126	1.8
504.27744	5.6
511.76245	0.8
560.29871	7.1
620.32190	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	620.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	1.3
53.03879	4.3
54.14246	0.9
55.01817	14.5
55.05452	23.4
57.03373	19.5
57.07003	4.3
61.02852	5.0
65.03851	2.5
66.53767	1.0
67.05428	74.9
68.05758	2.3
69.03350	100.0
69.06990	19.7
70.07359	1.1
71.01270	1.8
71.04926	7.7
71.08530	1.0
71.38631	1.0
73.02823	6.0
79.04954	2.4
79.05410	60.7
79.05867	2.2
80.75126	1.0
81.03337	12.2
81.06977	78.8
82.07295	2.4
83.01237	1.6
83.04890	6.5
83.08552	10.4
84.31228	1.1
85.02829	84.8
86.09658	1.5
91.05403	38.3
93.06976	69.1
95.04882	7.9
95.08534	55.4
96.08861	1.6
97.02826	33.0
97.06468	1.8
97.10101	2.5
99.04396	11.1
101.02312	8.9
103.05447	1.1
105.06973	28.6
107.04890	1.3
107.07873	1.6
107.08546	35.3
109.02814	6.5
109.06495	5.4
109.10098	23.8
111.04379	2.4
111.08043	2.5
115.03879	2.3
117.06999	12.2
119.08534	28.3
121.10104	30.1
123.08040	2.2
123.11649	9.2
125.09602	1.8
127.03884	53.9
129.06956	5.1
131.08540	22.0
133.06454	2.6
133.10109	18.2
135.11673	19.5
143.08528	5.1
145.04941	19.1
145.10086	15.0
147.07976	1.6
147.11665	10.9
149.09528	1.3
149.13219	11.1
157.10112	2.1
159.11688	12.1
161.13232	9.0
163.06027	1.4
163.14789	4.3
165.12746	1.5
167.90425	1.0
171.11639	5.3
172.95160	1.4
173.13243	9.3
174.98482	2.5
175.14719	2.7
176.99295	1.5
181.10474	1.1
183.11688	1.6
184.07292	2.4
185.13220	2.4
187.14789	2.4
199.14732	1.5
201.16418	1.4
213.00044	1.4
243.21053	5.7
257.15518	1.2
259.20514	5.4
261.22040	24.1
264.65921	1.4
265.00955	1.6
277.21564	5.5
279.23077	2.4
283.01770	7.0
289.21686	1.8
291.22946	1.6
294.69412	1.1
301.21555	1.6
303.23145	7.2
315.23288	2.6
317.24823	1.4
327.23105	2.2
341.24844	2.0
345.24261	7.8
351.22839	1.7
369.24258	12.7
387.25369	9.1
405.26221	6.8
406.26627	1.1
423.27399	12.1
439.21829	1.8
440.22144	4.3
473.19254	1.5
600.10388	1.3
620.28577	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	620.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	1.2
53.03887	7.2
54.81466	0.8
55.01808	8.8
55.05453	18.4
57.03375	9.6
57.07000	4.3
61.02837	1.6
64.33125	0.8
65.03866	1.9
67.05427	54.0
67.17456	0.9
69.03006	1.2
69.03353	20.7
69.06992	14.3
71.04913	11.3
73.02836	4.9
79.05410	51.1
81.03342	12.1
81.06974	57.4
81.82550	0.7
83.04890	2.0
83.08556	6.8
85.02831	16.7
85.06475	1.9
87.04390	1.1
91.05401	28.1
92.05715	1.1
92.10848	1.1
93.06973	64.3
95.04916	7.3
95.08533	46.8
97.02822	100.0
97.06468	2.0
97.10091	1.7
98.03197	1.1
99.04390	39.7
104.10695	0.9
105.04427	0.8
105.06975	19.9
107.08531	28.1
107.09206	1.5
109.02829	15.2
109.06474	1.9
109.10106	19.4
111.08071	2.0
111.11700	1.1
115.03923	1.1
117.05462	1.2
117.06969	10.1
119.08543	15.4
121.10098	29.5
123.08031	2.2
123.11678	6.4
125.09541	1.2
127.03883	28.7
131.08519	14.0
133.10097	10.6
135.11664	15.6
137.09625	1.1
137.13176	1.3
145.04926	18.0
145.10072	9.3
147.11647	9.3
149.13246	9.1
151.11172	1.2
159.11650	7.6
161.13229	8.4
163.14749	3.3
173.13211	5.4
180.08614	1.1
184.07274	1.8
187.14809	3.3
195.52580	0.9
218.82710	0.8
243.21059	6.7
259.20554	1.3
261.22064	24.6
277.21429	1.4
279.23178	6.3
357.24170	1.6
369.24280	1.3
387.25214	3.3
405.26306	3.4
423.27304	37.1
424.27731	1.8
520.22742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	15.6
55.01814	36.3
55.05225	1.4
55.05450	24.6
57.03378	13.6
57.07006	2.6
61.02848	2.2
65.03867	2.1
67.05425	81.4
67.05782	3.4
69.03348	77.6
69.06988	18.6
71.04903	19.4
73.02831	16.8
79.04961	2.1
79.05403	62.2
81.03336	68.7
81.06973	88.1
83.04904	3.0
83.08524	2.7
84.08035	1.3
85.02827	38.9
85.06455	1.4
87.04356	1.7
91.05405	32.9
93.06970	73.4
95.04882	9.0
95.08531	63.6
95.09147	2.9
97.02821	65.1
97.06452	2.8
97.10089	1.4
99.04387	100.0
101.02293	7.2
105.06984	22.6
107.08533	30.7
109.02827	55.9
109.06499	2.6
109.10104	29.2
111.04378	3.3
115.03942	1.6
117.06281	1.4
117.06960	11.8
117.09942	1.4
118.00541	1.3
119.08523	20.5
119.16749	1.3
120.33446	1.4
121.10094	29.4
123.07993	2.0
123.11674	10.8
123.74816	1.3
126.25690	1.4
127.03871	99.1
129.06966	1.7
131.08525	18.7
133.10103	13.3
135.11670	21.9
137.13228	2.6
143.08574	1.7
145.04936	16.7
145.06050	1.5
145.10149	10.6
147.11662	9.7
149.13197	9.3
157.10143	1.6
159.11626	7.6
161.13187	6.1
163.14819	3.0
173.13231	5.2
175.14824	2.9
183.11728	1.4
185.13132	1.4
193.97723	1.3
241.19423	1.7
243.21074	3.4
259.20578	6.9
261.22031	16.2
264.21497	1.4
277.21460	6.3
279.23029	2.7
315.22849	1.8
341.24750	1.5
357.24088	2.2
369.24100	6.9
387.25174	5.3
399.74551	1.5
405.26096	9.4
423.27307	62.8
424.27484	5.2
578.26929	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67059	2.0
54.81590	2.2
55.01814	8.3
55.05455	73.4
67.05433	25.9
69.03345	5.1
69.06988	11.6
74.04788	2.0
78.49054	1.9
79.05414	30.7
80.27006	2.1
81.06983	22.0
83.04903	4.6
83.08542	46.3
86.02554	1.9
86.09641	3.4
91.05421	3.8
93.06976	9.1
94.79608	2.0
95.04891	2.3
95.08516	3.5
97.10098	100.0
102.47146	2.1
107.08537	26.0
109.10095	4.3
111.08009	3.5
117.06969	2.8
125.09592	96.8
135.08015	8.9
153.09082	22.5
171.10211	3.8
184.07350	3.7
189.11183	52.4
227.12749	72.2
245.13739	3.5
340.28235	2.7
379.20892	5.0
397.22119	36.1
415.23129	47.4
537.70428	2.4
549.29962	8.2
567.31555	19.4
585.32935	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	620.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91827	1.1
54.20099	1.1
55.05445	13.8
57.03368	2.3
57.07005	2.4
59.04922	2.6
65.03881	2.0
67.03188	1.1
67.05426	100.0
67.58171	1.3
69.06979	11.2
71.04926	1.4
79.05418	11.3
81.06509	2.0
81.06973	47.0
83.08524	7.4
85.06463	2.1
90.84489	1.4
91.05387	10.5
93.06968	13.4
95.04906	1.9
95.08530	30.0
99.08009	1.3
105.06978	1.7
107.08536	6.7
109.10103	51.3
112.99931	6.5
119.08528	3.3
121.10034	2.3
122.48390	1.5
123.11609	2.7
133.10126	2.2
135.11635	3.5
141.24332	1.4
169.02605	5.3
173.11652	5.5
173.51424	1.6
173.61679	1.5
176.98041	1.4
184.07236	1.6
229.14365	1.7
294.02780	1.4
468.86929	1.6
471.57193	1.4
479.37201	2.3
491.37222	97.2
492.37180	6.4
619.43793	15.5
620.43896	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	620.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.0
55.01802	2.0
55.05453	53.5
57.03372	2.2
57.07004	5.9
65.03864	1.0
67.05427	40.1
69.03348	1.1
69.06985	15.6
71.08555	2.2
79.05408	29.0
81.06973	44.6
83.04899	2.4
83.08089	1.5
83.08537	23.1
85.06451	1.2
86.09598	1.4
91.05408	8.9
93.06985	13.4
95.04874	2.0
95.08530	26.3
97.10107	21.5
98.05988	1.4
98.98392	4.8
104.03550	0.8
104.10674	5.4
105.06982	4.9
107.08530	15.8
109.10105	10.0
119.08504	2.0
121.10085	5.7
123.11670	2.3
125.09603	10.7
131.26277	0.9
133.10069	4.3
148.33751	1.0
155.01024	4.7
184.07269	1.5
186.14948	7.1
199.13393	2.2
216.97797	1.3
217.14308	1.5
228.95570	0.9
263.23477	1.3
322.47803	1.2
329.14609	1.4
337.27267	2.2
341.30463	1.3
342.30603	6.9
343.31085	2.1
388.10104	1.1
423.32813	1.0
423.56854	1.0
479.37244	100.0
480.37253	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	620.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00231	0.7
53.03879	1.5
55.01804	4.2
55.05450	52.3
57.03363	1.7
57.07001	3.2
59.06183	0.6
65.03856	1.4
67.05426	43.0
68.83489	0.7
69.03340	1.0
69.06987	16.3
71.08537	1.1
77.71828	0.7
79.04962	1.3
79.05407	33.3
81.06506	1.5
81.06974	39.5
83.04893	4.0
83.08530	16.6
85.06509	0.8
86.09654	0.9
91.05405	9.2
93.06972	9.9
95.04891	1.2
95.07967	1.2
95.08531	26.0
97.06451	1.5
97.10099	19.6
98.98385	3.8
105.06967	4.5
107.08545	15.8
109.10115	8.2
119.08509	4.1
121.10069	3.1
123.11654	3.6
124.99961	1.3
125.09579	9.8
127.69109	0.8
128.26147	0.7
133.10089	3.0
135.11670	2.6
143.10695	1.4
155.01013	1.7
161.09976	0.8
161.13240	1.2
163.14821	1.2
184.07379	1.6
199.13231	3.0
217.14369	3.3
241.40187	0.8
265.55682	0.7
285.49753	0.7
306.27737	1.8
337.27292	3.4
341.30551	0.8
342.30780	1.3
401.38834	0.8
479.37216	100.0
480.37805	5.4
603.63269	0.8
620.31116	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04965	2.4
60.05582	0.6
66.38799	0.3
76.56525	0.3
76.86281	0.3
84.04435	57.1
85.02829	0.6
91.05409	10.3
95.04906	4.7
101.17228	0.4
102.05487	0.7
103.05430	0.6
107.04890	0.4
109.06443	0.5
119.04907	29.4
120.08061	0.5
121.06458	1.8
123.04391	52.2
124.04694	0.6
130.04988	11.9
136.07564	100.0
137.05962	0.5
137.07889	0.6
147.04398	22.7
147.49918	0.4
165.05449	68.7
166.05798	0.7
174.37030	0.4
182.08099	41.5
183.08443	0.4
202.08603	15.4
234.40399	0.4
248.09151	7.1
249.11569	0.4
293.11197	0.5
294.09631	6.1
311.12341	56.1
312.12656	0.9
402.38043	0.4
477.92874	0.4
523.89099	0.4
602.17554	0.4
648.44250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	2.3
57.07015	82.4
57.44412	1.1
67.05406	1.8
83.04908	13.7
83.12686	1.2
91.05403	9.7
95.04885	2.1
98.98382	1.4
103.05367	1.4
105.06981	2.9
115.05415	1.8
117.06913	2.3
119.07121	1.4
119.08527	5.8
125.95376	1.3
128.06169	5.4
129.06955	3.1
131.04851	1.9
131.08505	5.3
132.09305	2.3
141.00879	1.3
141.06976	15.5
142.07773	2.6
143.08527	9.9
147.02028	15.6
147.08051	2.1
147.11662	27.0
159.08000	15.0
165.03073	5.3
175.01578	10.0
175.02831	1.8
187.03023	5.5
193.04103	1.6
195.05600	1.5
197.13167	2.0
205.04086	6.1
213.16309	2.3
215.14226	10.0
223.05153	100.0
224.05473	1.6
225.06699	1.5
239.04536	2.0
241.06210	14.5
243.17380	2.5
244.99695	4.7
271.20483	10.4
279.11359	25.9
297.12350	2.7
321.02570	1.9
335.17529	14.1
397.05905	4.7
433.15247	2.7
453.12100	10.2
509.18445	43.1
510.18546	1.7
549.52594	1.3
565.24823	13.5
621.31024	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	622.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53082	1.9
53.00225	2.3
53.03883	3.2
55.01812	16.0
55.05447	23.0
57.03370	13.7
57.07023	4.1
61.02853	2.8
62.79158	2.3
67.05428	93.2
69.03351	100.0
69.06988	26.8
71.04892	3.5
73.02843	3.1
75.42162	2.5
75.89575	2.8
79.05400	26.8
81.03339	10.2
81.06977	94.1
83.04868	4.0
83.08532	18.4
85.02829	82.1
91.05404	24.6
93.06973	30.3
95.04927	4.0
95.08533	72.0
97.02810	27.3
97.06443	3.0
97.10121	10.2
98.46191	2.2
99.04413	10.6
101.02299	6.3
105.06963	20.3
107.08541	18.1
109.02834	4.5
109.10113	39.2
115.03854	3.1
119.08576	17.7
121.10107	18.7
123.11644	15.4
125.09574	3.6
127.03870	55.9
131.08549	5.9
133.10100	11.8
135.11607	4.1
137.13252	2.8
145.04932	23.9
145.10086	3.5
147.11720	11.4
149.13260	5.8
161.13261	3.2
161.94350	2.7
163.14787	3.2
171.11714	2.6
175.14760	5.2
213.84462	2.5
245.22556	4.4
263.23627	35.3
291.23169	2.7
317.24744	3.4
329.24643	5.8
347.25717	15.1
347.37781	2.5
353.25037	3.2
371.25760	4.9
389.26608	12.7
407.27811	11.0
425.28824	16.6
450.86227	2.6
544.57709	3.3
554.76532	3.1
584.55304	2.9
622.30371	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	622.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	2.9
55.05458	1.2
57.03371	3.0
57.06995	0.6
57.85758	0.5
61.42078	0.5
67.05423	4.7
69.03342	8.4
69.06990	0.8
71.04910	2.1
71.08541	0.7
76.57854	0.5
79.05410	2.3
79.89326	0.5
81.03328	8.2
81.06972	5.7
85.02346	0.9
85.02822	14.1
86.09635	1.3
91.05405	0.6
92.36898	0.5
93.06964	1.3
95.08531	3.4
97.02820	100.0
98.03162	1.0
98.15482	0.5
99.04381	4.0
104.10672	0.9
107.08556	0.8
109.02839	5.5
109.10107	0.8
119.08556	0.7
127.03870	11.1
135.01576	0.5
145.04959	4.5
151.71640	0.6
182.93204	0.5
184.07266	1.1
215.66592	0.5
216.20723	0.6
223.12871	0.6
239.40318	0.6
283.01752	1.2
295.78690	0.6
359.25671	0.9
377.27115	0.9
425.28894	7.7
426.29443	0.7
459.06290	0.6
481.35071	0.8
594.19702	0.6
623.30701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00229	1.0
53.03875	3.1
55.01812	9.9
55.05451	21.3
55.52425	0.6
57.03370	9.3
57.07011	5.8
61.02840	1.5
67.05424	80.4
68.05737	1.1
69.03003	1.2
69.03346	22.6
69.06985	24.6
71.04905	7.4
71.08544	3.2
73.02807	6.1
79.04958	1.3
79.05408	25.0
81.03326	13.7
81.06971	81.8
82.07311	1.3
83.04888	3.0
83.08540	14.6
83.55552	0.7
85.02821	25.5
85.06455	1.6
87.04378	1.4
91.05388	16.4
93.06966	27.9
94.07307	0.9
95.04881	3.8
95.08529	57.9
96.08861	0.9
97.02818	100.0
97.06464	3.2
97.10088	7.6
98.03135	1.0
99.04383	36.1
99.07983	1.0
101.02265	1.1
105.06967	13.6
107.08534	14.6
109.02826	15.4
109.06448	1.2
109.10100	23.2
111.04408	0.8
111.07981	1.5
111.11675	0.9
115.03843	1.4
117.06927	1.3
119.08524	9.6
121.10086	14.2
121.32216	0.8
123.11646	12.9
123.51370	0.8
127.03870	30.0
128.01089	0.8
131.08531	1.8
133.10065	11.3
135.11626	7.1
137.09639	1.0
137.13211	5.1
145.04926	16.7
145.10086	1.2
147.11670	7.5
149.13208	5.4
151.14827	1.3
153.12663	0.9
153.80396	0.8
161.13187	6.0
163.14725	4.3
165.16344	1.1
167.14224	1.1
173.13229	1.0
175.14792	5.0
177.16222	0.9
187.14909	1.2
187.81909	0.8
189.16270	1.1
207.17317	1.0
245.22713	7.9
261.22052	1.8
263.23627	31.4
275.23611	1.1
279.23215	1.0
321.24509	0.9
347.25894	1.0
359.25696	1.1
365.52258	0.8
371.25739	6.7
389.26794	6.9
407.27881	9.8
425.28845	48.2
426.29105	3.9
604.59570	0.9
639.71997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	15.7
54.81325	1.6
55.01818	30.3
55.05450	20.3
57.03368	9.7
57.07010	3.8
59.95734	1.6
65.09849	1.5
67.05074	3.2
67.05428	78.7
69.03008	3.0
69.03352	54.6
69.06988	22.6
71.04914	14.2
71.35654	1.7
73.02823	10.2
79.05411	23.7
81.02856	2.3
81.03337	55.0
81.06512	2.8
81.06977	82.4
83.04872	2.5
83.08536	11.8
85.02830	24.1
91.04895	1.8
91.05399	15.3
93.06974	24.1
94.29640	1.6
95.04886	2.9
95.07971	2.0
95.08539	52.0
97.02226	3.2
97.02818	52.6
97.06439	2.6
97.10113	3.0
99.04387	90.7
99.07986	1.7
101.02310	2.6
105.06971	13.1
107.08536	18.5
109.02824	48.0
109.10081	22.9
111.04389	7.3
119.08535	8.1
121.10093	9.9
123.11655	7.6
127.03875	100.0
131.08481	2.1
133.10112	8.6
135.11635	6.7
137.13246	3.0
145.04935	10.8
146.29111	2.0
147.11636	6.6
149.13232	7.4
161.13239	3.0
175.14836	2.9
213.40746	2.0
245.22607	2.9
261.22211	5.9
263.23636	16.2
279.22919	2.2
353.24631	2.6
359.25610	4.1
371.25766	13.2
389.26785	2.6
407.27881	17.6
424.37976	1.9
425.28796	41.7
496.82916	2.0
574.74158	2.0
579.55750	2.0
579.64673	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	622.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13962	0.8
53.00239	1.4
53.03890	1.9
55.01801	4.2
55.05453	24.8
57.03374	3.8
57.07008	6.0
57.35490	0.8
59.60616	0.8
65.03849	2.0
67.05428	97.0
69.03344	5.2
69.06989	25.9
71.01253	1.3
71.04897	1.7
71.08546	4.4
73.50230	0.8
79.05416	24.6
81.03331	8.1
81.06976	100.0
83.04931	2.3
83.08536	15.7
85.02830	4.8
85.06461	2.3
86.09644	1.3
91.05405	20.5
93.06971	38.2
95.04901	2.1
95.08534	70.5
96.08876	1.8
97.02823	64.6
97.06454	5.0
97.10125	8.2
99.04377	5.6
99.07994	1.1
105.04539	1.1
105.06979	14.9
107.04851	1.3
107.08540	18.9
109.02831	5.2
109.06422	1.5
109.10114	29.9
111.08041	4.1
113.09537	1.4
117.06988	2.4
119.08544	12.5
121.10088	12.8
123.08028	1.5
123.11663	15.7
127.03872	14.9
131.08540	4.8
133.06520	1.5
133.10097	10.8
135.11691	10.3
137.09592	1.3
137.13232	6.8
143.08553	1.4
145.04912	1.5
145.06468	2.5
145.10072	4.0
147.11661	8.8
149.13254	6.8
151.14813	2.1
153.12708	2.1
154.64519	0.9
159.11620	1.5
161.13216	7.3
163.14751	8.3
165.52744	1.0
175.14799	6.9
177.16425	1.8
178.08836	1.0
184.07326	2.3
189.16374	2.1
203.14261	1.1
203.17955	1.2
243.21033	1.4
245.22652	5.9
254.94920	1.3
257.18829	1.4
261.22086	5.8
263.23624	32.2
289.25131	1.2
325.77603	1.1
331.26245	12.7
341.24625	9.0
359.25723	30.5
360.26001	1.4
425.28906	38.6
426.29272	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11180	0.1
54.81619	0.2
55.05449	0.3
56.04974	0.3
57.07010	1.8
58.06536	0.2
60.08099	8.5
62.96502	0.2
67.05428	0.2
69.70824	0.2
71.07292	3.9
72.04434	3.9
82.75481	0.2
86.09632	49.1
87.09959	0.9
93.06969	0.2
97.14810	0.2
98.98409	3.3
104.10685	2.8
114.09133	0.3
124.99969	34.7
143.01050	1.3
179.96085	0.2
184.07317	100.0
185.07654	1.3
256.26190	0.3
310.30963	2.8
311.31485	1.1
312.32495	0.9
313.32895	0.2
323.15411	0.2
365.98181	0.2
423.62769	0.2
622.44409	4.4
623.44342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	3.6
53.03878	4.5
55.01818	3.6
55.05453	28.0
57.03374	56.6
57.07010	66.2
67.05428	70.7
69.06989	48.4
71.04904	16.9
71.08548	52.7
75.05313	2.5
79.05405	66.6
81.06976	82.4
83.08534	22.3
85.06479	4.0
85.10104	22.0
89.05946	5.7
91.05418	59.9
91.42565	2.7
93.06971	87.7
95.04910	6.8
95.08536	100.0
97.06470	14.5
97.10111	12.0
102.23487	3.2
105.06972	63.5
107.08538	61.6
109.06469	11.4
109.10120	36.7
111.08038	4.4
113.97057	2.9
114.37686	2.8
115.07502	3.1
117.06971	25.4
119.08535	32.6
121.10089	37.1
123.27714	2.8
129.06934	3.5
131.08528	33.7
133.10100	19.3
135.11630	11.1
143.08566	5.5
145.10114	46.0
147.11681	13.8
149.09558	6.6
155.08537	2.8
157.10143	7.1
159.11658	17.6
161.13235	6.0
163.11058	3.6
173.13196	4.2
185.13220	14.6
187.14780	35.3
195.41695	3.2
203.14310	5.9
205.15816	35.1
213.70609	2.9
219.17374	6.4
257.18909	13.1
266.90289	2.9
275.19925	22.0
279.19449	22.1
293.20932	3.8
312.32660	5.5
313.23694	4.2
313.27322	98.5
349.23441	22.1
367.24585	3.8
517.42480	14.1
545.96881	3.5
587.46362	29.3
605.47443	7.0
623.39703	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	623.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00230	4.7
54.81612	4.1
55.01821	5.3
55.05448	29.1
57.03365	32.4
57.07013	66.4
60.36788	4.9
65.14716	4.3
65.64714	4.8
67.05428	68.9
69.06992	39.8
69.61135	4.5
71.04899	8.0
71.08552	61.5
79.05411	69.0
81.06976	58.8
83.08527	10.8
85.10110	25.2
91.05405	45.1
92.10909	22.0
93.06982	67.9
95.04903	5.7
95.08538	87.9
97.06476	9.4
97.10093	8.0
99.05730	5.0
105.06963	55.8
105.41386	4.7
107.08540	57.8
109.06427	20.5
109.10116	23.0
114.21143	4.7
117.06975	27.2
119.08558	22.2
121.10104	34.3
129.06976	18.4
131.08580	42.2
133.10103	22.4
135.08011	7.0
145.10100	38.0
147.11658	5.9
149.09633	6.0
151.42995	4.4
153.27740	4.8
159.11728	5.6
185.13237	11.3
187.14795	26.8
205.15930	27.1
219.17497	8.4
236.81097	5.3
257.18872	7.4
275.19995	23.9
279.19534	7.9
313.27341	100.0
319.42361	5.3
349.23773	9.9
423.60068	6.3
517.42456	28.4
587.46478	29.5
637.38074	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	624.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28728	0.4
53.03881	4.3
54.81566	0.4
55.01812	6.6
57.03368	3.5
61.02855	3.9
65.03853	0.5
68.99708	2.0
69.02969	0.5
69.03342	13.7
70.06497	1.1
71.04911	2.7
73.02824	4.6
79.05405	0.9
81.03334	17.5
81.06977	0.8
84.04431	0.8
84.08049	0.5
85.02824	33.8
86.09614	0.5
87.00751	17.6
87.04392	0.9
91.03870	0.9
91.05392	3.0
94.04107	1.9
96.67077	0.5
97.02225	0.8
97.02826	15.1
99.04382	6.5
103.05411	3.1
105.01809	8.0
105.06988	1.0
107.04922	1.0
109.02827	11.9
109.06465	1.9
111.04380	1.9
115.03885	0.6
115.05409	6.4
117.01803	3.0
117.06950	2.0
118.89692	0.5
119.08516	2.3
122.03584	4.9
125.05920	0.9
127.03867	19.5
128.06131	2.1
129.01819	1.9
129.06973	7.5
129.10182	0.5
131.04871	5.8
132.05692	0.8
133.06400	1.0
137.05949	100.0
138.06268	1.6
143.04889	9.6
144.05745	1.6
145.04933	8.2
145.06456	2.4
146.03581	0.8
147.02852	0.5
147.04385	0.7
147.08047	2.8
149.05948	1.1
151.03897	1.9
151.07550	0.8
153.05423	1.8
157.06454	5.9
159.02823	7.0
160.05167	16.5
160.06502	0.6
161.05919	5.3
163.07494	5.4
172.05190	3.6
173.05927	0.7
174.06721	3.5
175.07495	92.4
176.07883	2.5
177.05414	0.5
187.07503	37.0
188.07945	0.5
189.09068	7.7
191.08517	0.8
193.08600	0.5
193.85950	0.4
199.07478	2.2
201.08986	0.6
203.08531	3.2
205.08548	7.9
211.07501	2.9
217.08481	3.5
218.07150	0.5
219.08041	3.8
219.09947	0.6
220.08838	0.6
227.06912	0.7
231.04979	2.7
231.07912	4.2
232.08649	0.5
235.07358	0.7
235.09608	15.2
239.06825	1.8
247.07391	2.0
248.08244	3.4
251.10539	2.1
253.08600	0.6
255.06424	2.2
257.97467	0.5
259.07532	1.0
260.08234	0.5
263.10574	4.1
265.08591	0.6
270.08795	1.0
271.09439	3.9
276.07693	0.8
277.08401	0.7
279.10019	3.2
283.09467	1.9
291.10062	7.5
292.10803	0.7
293.07996	0.7
296.10165	0.9
308.10193	0.7
311.12637	4.1
323.12708	8.1
325.14313	1.1
341.09781	0.8
341.13712	13.4
516.26996	0.5
528.45135	0.5
572.03534	0.5
572.96106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	5.1
55.01800	7.8
55.05447	22.7
57.03380	14.3
57.07004	6.5
59.04926	2.7
59.17777	1.1
61.02836	2.3
67.05440	12.2
68.99708	2.4
69.03346	58.2
69.06968	5.6
71.01296	1.2
71.04910	6.1
73.02814	2.0
79.05400	9.1
81.03343	17.3
81.06977	28.3
83.04897	32.9
83.08526	15.5
85.02825	59.0
85.06452	6.0
87.00750	30.0
87.04398	13.5
91.05399	7.4
93.06975	13.0
95.04887	25.9
95.08515	7.8
97.02228	2.8
97.02823	52.0
97.06472	9.8
97.10061	2.6
99.04413	14.6
99.04955	2.2
105.01814	20.7
105.06953	17.9
106.51344	1.4
107.08531	28.4
109.02821	17.9
109.06478	22.9
109.10107	41.8
111.04376	5.2
111.08025	8.1
115.03875	13.9
115.04539	1.5
115.07494	2.2
118.94215	1.3
119.08546	11.4
121.06471	1.4
121.10099	24.9
123.08005	8.0
123.11663	10.0
125.02325	1.5
125.09573	8.5
127.03879	30.3
129.05388	2.1
131.08527	10.7
133.04866	1.8
133.10089	57.0
135.07991	6.3
135.11621	2.8
137.13206	1.4
139.03920	2.2
139.11145	2.6
145.04922	7.8
145.10059	5.8
147.02797	1.4
147.11658	9.9
149.09605	2.1
149.13231	11.9
151.11156	19.2
153.09067	9.6
158.10875	7.2
159.02820	7.4
163.14728	2.1
165.12704	5.7
167.14275	21.1
173.13202	22.3
181.12177	2.6
189.03976	2.3
191.14221	20.5
209.15324	100.0
210.15666	6.3
213.03816	1.9
227.16386	16.7
231.04927	6.3
241.06892	2.0
249.05818	3.1
257.45724	1.6
327.06949	2.6
345.08051	5.7
578.09448	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92145	0.4
51.28518	0.4
53.03887	0.8
53.63396	0.4
54.81880	0.5
55.01805	0.9
55.05440	3.0
55.55146	0.4
57.03373	0.8
60.72795	0.6
61.02850	1.1
65.03858	0.9
67.05433	5.3
69.03345	11.0
69.06968	0.6
70.06516	0.5
71.04897	0.9
73.02831	0.6
79.05404	3.3
79.22046	0.6
81.03327	2.8
81.06974	4.5
83.04917	4.6
85.02826	14.4
85.93381	0.6
91.03860	0.6
91.05417	5.3
93.03365	0.6
93.06973	10.3
95.04890	10.4
95.08520	3.9
97.02844	5.3
97.06465	2.8
99.04390	2.4
101.67633	0.6
105.06973	17.3
107.04903	1.0
107.08521	4.8
109.02839	2.7
109.06458	8.4
109.10109	1.1
111.04403	8.8
111.08007	2.5
113.05950	3.4
116.06256	0.7
117.06987	2.9
119.08532	16.0
120.08066	1.3
121.02824	2.8
121.06461	10.1
121.10103	4.0
123.08022	8.8
125.09665	0.7
127.01916	0.6
127.03863	3.1
128.06163	0.8
129.06955	2.5
131.08534	10.1
131.42233	0.5
133.06459	2.7
133.10094	4.5
135.08020	17.2
137.05920	1.1
137.09575	3.1
138.65263	0.7
139.03874	1.3
139.07507	1.2
141.06941	0.8
142.07669	0.8
143.08549	5.3
144.09305	0.8
145.04935	2.3
145.06454	1.4
145.10088	9.0
146.07243	0.7
146.10519	0.7
147.04410	0.9
147.08028	10.6
147.11627	4.9
149.05930	1.1
149.09586	3.2
151.07553	0.8
155.08543	0.9
156.09300	1.4
157.06390	0.9
157.10127	7.2
158.07262	4.4
159.08014	10.7
159.11647	10.2
159.83113	0.6
161.05914	0.7
161.09595	12.1
161.13245	0.7
163.07556	1.1
165.09073	8.4
168.09291	2.2
169.10057	0.7
171.07985	2.3
171.11658	3.4
172.08803	5.0
173.09622	7.0
173.13246	6.0
175.07529	16.7
175.11148	10.7
183.11687	4.0
184.08939	0.6
185.09535	3.5
185.13307	1.0
186.10327	1.0
187.07619	0.8
187.11154	11.3
189.09087	3.5
189.12711	4.2
193.08568	3.8
193.10147	1.1
196.08798	3.0
199.11140	8.1
201.09062	0.6
201.12692	9.3
203.10622	11.1
205.12135	1.2
207.10231	0.8
211.11160	7.7
217.12183	8.6
219.13773	2.9
229.12193	8.4
235.13225	1.0
247.10713	1.3
247.13225	29.0
247.15759	1.3
265.14291	100.0
266.14618	3.9
300.56094	0.6
409.18439	9.5
427.19583	1.3
435.86011	0.7
634.31726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00257	1.0
53.03894	0.5
55.01812	2.4
55.05453	30.8
55.65418	0.4
57.03376	0.6
57.06737	1.0
57.07016	27.2
58.92209	0.4
59.04914	0.7
61.58174	0.4
67.05425	13.6
69.03346	3.4
69.06982	8.7
71.08547	17.2
79.05415	7.4
81.06983	16.5
83.04900	1.9
83.08541	23.4
85.06475	0.8
85.09625	0.7
85.10108	10.2
89.05967	1.0
91.05386	0.9
93.06977	0.7
95.08532	14.8
97.10101	35.6
98.98347	1.0
101.09635	0.6
107.08543	9.1
109.10118	6.1
110.10459	0.5
111.08048	0.7
123.11634	0.8
124.11191	0.8
125.09589	28.7
135.08035	2.7
153.09105	1.1
155.00992	0.9
159.17653	0.5
189.05463	0.6
189.11194	12.8
196.13297	6.6
214.14334	4.0
227.12773	7.4
239.23689	0.7
245.13780	0.9
282.27762	1.1
313.27341	2.5
483.36716	100.0
484.37027	8.0
508.40146	0.7
563.32800	0.8
567.76044	0.6
624.38544	1.0
636.19458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	2.5
53.53445	1.7
55.01812	9.3
55.05452	25.7
57.03366	10.4
57.07005	11.6
61.02862	2.7
64.37971	1.9
66.92896	1.9
67.05430	29.5
69.03358	31.8
69.06992	43.2
71.04916	14.0
71.08543	8.5
72.92275	2.1
73.02821	2.8
76.80773	1.9
76.84737	1.8
79.05385	15.1
81.03338	16.1
81.06976	41.1
83.08550	30.9
85.02827	27.9
85.10117	3.6
86.09624	7.6
91.05413	2.4
93.06974	21.5
95.04926	2.5
95.08540	39.8
97.02231	3.9
97.02829	100.0
97.06427	2.4
97.10113	15.1
99.04392	30.8
101.02310	2.0
107.08541	9.3
109.02826	13.6
109.10088	17.1
109.69630	2.0
111.11726	3.0
121.10087	18.6
123.11652	3.6
127.03862	27.9
135.11696	17.1
139.28174	1.8
145.04913	19.8
149.13234	4.4
158.36700	2.5
184.07335	8.5
225.06924	2.3
247.24191	3.7
265.25262	20.8
265.63864	2.1
373.27328	3.9
409.29419	4.0
427.30545	32.3
549.71948	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	624.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43572	1.7
55.01788	2.1
55.05445	5.1
57.07009	4.2
60.08094	9.1
61.24749	2.2
67.05441	8.5
69.03350	3.1
69.06985	10.0
71.07280	2.9
71.08540	3.0
79.05395	2.6
81.03336	9.0
81.06973	13.0
83.08549	3.2
85.02827	2.7
86.09623	50.0
89.05929	2.0
93.06973	4.7
95.08536	10.8
97.02830	9.2
99.04364	16.2
104.17543	2.1
105.06964	3.4
109.02821	10.4
109.10089	4.8
121.10072	3.8
124.99971	36.6
127.03889	16.0
135.08055	2.7
152.48341	2.3
178.83907	2.1
184.07288	100.0
256.24957	2.2
265.25320	2.8
409.29178	3.6
427.30551	4.2
436.09351	2.5
483.36728	3.2
624.41986	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	624.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	3.9
54.63657	2.2
55.01809	13.8
55.05453	34.6
57.03370	12.1
57.07017	18.8
61.02852	2.6
64.33512	2.4
66.44756	2.2
67.05423	43.6
69.03349	100.0
69.06990	57.7
71.04891	3.9
71.08546	10.2
73.02847	3.0
76.56393	2.5
79.05408	19.1
81.03339	11.4
81.06979	43.1
83.04899	3.5
83.08537	33.2
85.02829	73.2
85.10104	5.3
86.09586	2.3
91.05380	4.4
93.06973	27.4
95.08524	52.2
97.02834	30.9
97.10093	25.0
99.04376	13.2
101.02357	4.3
101.60596	2.3
107.08540	14.0
109.02825	10.9
109.10094	18.0
111.11657	11.2
113.40993	2.5
114.89957	2.5
119.02696	2.6
119.08498	2.5
121.10104	21.1
123.11620	10.2
127.03860	48.9
135.11662	22.3
145.04932	18.9
149.13211	10.1
153.12642	2.5
184.07248	5.9
217.30344	2.7
247.24246	9.4
256.52948	2.9
265.25275	46.3
283.01825	4.2
322.47928	2.9
349.27274	3.3
373.27277	10.6
391.28244	6.2
409.29514	8.5
427.30399	62.0
624.31702	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	624.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	2.7
57.03366	1.8
57.07002	7.4
61.13687	1.2
67.05420	3.3
68.32230	1.7
69.03344	8.1
69.06963	2.0
71.04911	1.7
71.08533	5.7
71.20702	1.1
81.03329	8.9
81.06960	2.0
83.08498	1.8
85.02821	15.1
85.07585	1.6
85.10071	1.3
86.09655	1.4
87.04385	1.8
87.41403	1.3
89.05956	10.2
91.05405	1.5
91.69995	1.2
97.02823	100.0
109.02838	2.8
127.03876	8.4
130.91537	1.3
133.08588	1.7
145.04927	3.4
152.56735	1.5
156.34622	1.4
218.01854	1.2
427.30261	6.6
436.95773	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93219	4.2
52.31549	3.8
55.01802	7.7
55.05451	28.0
57.03380	8.1
57.07012	10.4
61.40030	4.6
67.05421	26.2
69.03347	31.0
69.06989	49.8
71.04907	10.4
71.08536	6.8
73.02836	5.0
81.03331	27.8
81.06989	46.4
83.08540	29.1
85.02811	21.3
86.09621	10.7
91.05402	5.6
93.06968	25.4
95.08539	42.5
97.02825	100.0
97.10123	19.8
99.04389	41.3
107.08578	9.7
109.02827	25.8
109.10163	6.4
121.10098	22.2
123.56530	5.3
124.99947	7.1
125.83188	4.7
127.03867	57.1
135.11636	8.8
145.04958	22.9
177.96629	5.2
184.07300	41.5
185.07777	6.7
205.36493	4.9
265.25189	29.4
274.73776	5.7
380.62042	5.6
409.29303	9.2
427.30310	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99229	1.3
54.81422	1.3
71.08514	1.1
71.55143	1.4
78.04649	1.2
92.10950	1.4
107.08507	1.3
145.02863	2.4
150.61176	1.5
156.71249	1.5
171.42319	1.4
177.05504	2.7
183.63869	1.4
184.07291	2.9
185.04175	1.8
203.05235	7.5
254.48473	1.4
373.32822	1.7
440.77554	1.5
463.26593	31.3
625.31787	100.0
626.32465	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	625.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	2.3
67.05401	4.9
68.41141	2.2
70.23906	2.1
71.30157	2.2
76.23074	2.5
89.92241	2.3
107.08502	2.7
170.44518	2.7
184.07423	5.2
445.25653	13.0
463.26639	12.2
625.31781	100.0
626.30963	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	626.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73996	0.3
54.81734	0.2
60.96728	0.3
63.02298	0.4
65.03858	1.5
67.05433	0.7
69.03331	0.3
70.06517	1.1
78.04616	0.5
79.05412	0.3
82.04108	0.3
84.04468	0.3
84.08067	0.5
85.02826	0.6
86.09650	0.3
89.03837	12.3
89.04388	0.4
91.05399	5.0
95.04903	0.4
106.04142	1.2
107.04870	0.4
110.07096	0.5
117.03328	48.5
119.04902	6.1
122.45015	0.3
124.05128	0.5
125.05924	0.3
133.02899	0.3
134.03590	3.3
135.04405	4.3
138.05461	0.4
145.02826	100.0
146.03123	2.2
147.04399	6.0
149.05969	17.4
150.06387	0.3
151.03874	1.4
158.05966	0.4
161.09705	0.4
162.03078	0.4
163.03848	0.6
171.06461	1.1
175.03868	6.8
177.05438	95.4
178.05759	1.2
181.04915	14.2
186.05466	1.3
189.09120	0.3
192.04149	0.5
207.06493	10.7
219.10147	1.6
280.05283	0.3
399.67120	0.4
472.76865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24213	0.1
53.03881	0.1
55.01817	0.2
55.05450	0.8
62.66529	0.1
63.02299	0.7
65.03861	1.8
67.05419	0.8
69.03364	0.5
70.06502	1.0
72.08054	0.3
78.04639	0.3
79.05421	0.2
81.03329	0.2
81.06969	0.2
82.04110	0.3
83.04850	0.1
83.08510	0.3
84.04434	0.3
84.08067	0.8
85.02821	1.2
86.09631	0.2
89.03835	11.9
91.05402	3.3
93.06963	0.3
95.04897	0.6
97.02813	0.4
97.06467	0.3
100.07548	0.7
100.11186	2.0
103.05392	1.0
105.04446	0.2
106.04144	0.6
107.04894	0.2
108.02021	0.3
110.03584	0.7
111.04392	1.2
117.03324	39.1
118.03619	0.3
119.04897	4.4
121.06477	0.3
124.05138	0.3
125.05947	0.2
128.07048	0.6
128.10681	0.2
129.10138	0.2
131.04877	0.2
131.08559	0.2
133.10083	0.2
134.03587	3.2
135.04387	3.5
137.09608	0.2
138.03098	0.3
141.06995	0.2
142.02562	0.2
145.02817	91.3
146.03146	1.6
147.04373	3.5
149.05951	15.9
151.03882	0.6
156.10178	0.2
157.03978	0.2
158.06012	0.2
161.09561	0.6
162.03073	0.6
163.03833	0.8
171.06485	1.7
174.06709	0.2
175.03883	4.8
177.05429	100.0
178.05756	2.4
181.04910	22.6
182.15376	2.1
183.15599	0.2
186.05441	1.0
189.09019	0.9
207.06488	5.5
207.10071	0.3
209.16475	0.3
210.14842	2.1
211.15163	0.3
219.10135	1.7
268.14758	0.2
273.34073	0.1
329.12122	0.2
399.17715	0.2
493.42731	0.2
625.42474	1.1
626.42749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36509	0.3
62.17786	0.3
63.02298	0.4
65.03877	1.2
66.05532	0.3
71.56333	0.2
78.04665	0.4
85.02799	0.3
87.57773	0.2
89.03844	12.6
91.05412	2.2
92.10812	0.6
95.04898	0.5
95.08188	0.3
97.06435	0.4
103.05408	0.3
106.04125	0.7
110.03679	0.4
113.57535	0.3
117.03331	44.8
118.03687	0.4
119.04927	2.6
124.05204	0.6
134.03619	3.5
135.04359	4.2
145.02831	100.0
146.03192	1.8
147.04417	1.7
149.05956	17.0
162.03157	0.3
163.03880	1.3
171.06497	1.4
175.03889	2.2
177.05443	92.9
178.05748	2.2
181.04924	12.8
186.05467	0.5
206.13989	0.4
207.06525	2.5
224.56464	0.3
251.96219	0.3
255.06393	0.4
339.27621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01514	0.2
51.26714	0.2
53.00257	0.3
53.03889	0.9
55.01813	1.4
55.05453	4.3
56.04973	0.2
56.05787	0.4
57.03381	2.9
57.07013	0.5
58.03701	0.4
59.04929	0.4
60.04467	0.2
61.02858	1.3
62.25263	0.2
62.66427	0.2
63.02301	0.3
65.03860	2.0
67.05424	3.3
67.68783	0.2
68.05741	0.4
69.03352	12.1
69.06985	1.5
70.03674	1.5
70.06507	3.5
70.07334	0.3
71.04904	0.8
72.08047	0.3
73.02821	0.4
75.04411	0.4
78.04633	0.3
79.05387	2.4
80.05681	0.2
81.03343	3.4
81.06978	5.1
82.03674	0.4
82.04128	0.9
82.07319	1.3
83.04895	5.6
83.08549	2.6
84.04428	1.8
84.05252	1.4
84.08072	1.6
84.08894	0.8
85.02824	12.4
85.06474	1.3
86.03178	1.9
86.09640	0.9
87.00751	5.4
87.04390	2.5
89.03836	11.1
90.04221	0.3
90.05499	0.3
91.03897	0.2
91.05414	3.2
92.10981	0.4
93.06987	3.1
94.07295	0.4
95.04893	4.9
95.08540	2.2
96.05236	1.3
96.08877	0.3
97.02820	8.8
97.06464	2.5
97.10082	0.4
98.03142	2.0
98.97506	1.1
99.04385	2.6
100.04735	0.4
102.05457	0.2
103.03939	0.3
103.05395	0.8
105.01812	3.3
105.06979	3.7
106.02167	0.4
106.04118	0.8
106.07289	1.0
107.04908	0.4
107.08549	4.7
108.02087	0.2
108.08882	1.4
109.02831	2.9
109.06466	4.3
109.10114	7.7
110.03655	0.5
110.06880	1.3
110.10435	2.1
111.04384	1.6
111.08055	1.3
115.03922	1.9
116.04230	0.2
116.06992	0.2
116.98589	1.2
117.03329	41.0
118.03667	0.5
119.04909	1.6
119.08530	1.4
120.08078	0.3
120.08839	0.7
121.06485	0.3
121.10093	4.1
122.06017	0.3
122.10468	1.7
123.08022	1.4
123.10878	0.3
123.11640	1.9
124.05180	0.3
124.12008	0.4
125.05938	0.5
125.09624	1.2
127.03860	3.9
127.07504	0.2
128.04207	1.3
129.01778	0.2
129.04404	0.3
129.05420	0.4
131.04887	0.2
131.08548	1.4
132.08849	0.5
133.04947	0.5
133.10092	7.8
134.03604	3.0
134.10435	3.7
134.99626	1.1
135.04388	4.2
135.08022	1.0
135.11693	0.3
136.07541	0.3
136.08432	0.3
137.13251	0.3
138.03075	0.8
139.03900	0.4
139.11151	0.2
142.02603	0.3
143.08577	0.3
144.09048	0.2
145.02826	90.7
145.10066	0.9
146.03168	2.0
146.10446	0.5
147.04422	0.5
147.11682	0.9
148.12013	0.9
149.05960	15.5
149.13225	1.8
150.06357	0.4
150.13573	0.9
151.03894	0.5
151.11154	2.7
152.11519	0.8
153.09103	1.4
154.09380	0.4
158.05933	0.3
158.10890	1.0
159.02916	1.0
159.67435	0.2
162.03091	0.3
163.03918	0.9
163.14857	0.4
165.12698	0.4
166.13153	0.3
167.14241	2.6
168.14613	1.4
171.06493	2.4
173.13219	2.5
174.13559	1.8
175.03900	0.5
177.05437	100.0
178.05727	3.3
181.04919	24.3
182.05301	0.4
186.05450	1.4
189.00687	0.3
191.14268	2.7
192.14642	1.8
201.00699	0.8
204.14325	0.2
207.06519	1.4
209.15340	8.9
210.15686	6.7
211.15961	1.3
215.05553	0.2
219.01761	0.2
227.16376	1.6
228.16736	1.2
231.05009	0.3
232.43869	0.2
237.02748	0.5
249.05881	0.4
265.10873	0.4
267.03726	0.3
291.03827	0.2
301.13162	0.2
305.14960	0.3
327.07092	0.4
328.07486	0.4
342.20065	0.3
346.08545	0.3
445.17398	0.3
451.42447	0.2
468.26895	0.3
559.20441	0.4
601.20898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	4.3
55.01801	14.0
55.05448	7.8
57.03360	16.7
57.07009	55.2
61.02854	4.7
67.05426	24.7
69.02995	5.4
69.03347	76.0
69.06977	19.4
71.08546	38.4
73.02818	4.9
79.05404	5.4
81.03334	49.8
81.06969	22.7
83.08530	16.0
85.02825	100.0
85.10100	20.1
87.53184	3.4
88.35032	3.5
92.63557	3.8
95.08537	42.6
97.02814	52.7
97.10094	14.5
98.98383	3.6
99.04377	21.8
101.02352	5.2
106.00858	3.6
109.02834	32.2
109.10094	13.7
127.03873	64.9
145.02811	7.1
145.04933	16.1
145.89534	3.5
147.82158	3.5
153.02751	3.3
165.08926	3.8
177.05360	5.2
184.07286	3.7
267.26727	24.4
411.31171	27.9
429.31958	76.1
461.52570	3.5
514.36243	4.2
534.27087	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	627.276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96290	0.3
56.96502	4.0
69.64175	0.4
70.06493	0.4
72.77406	0.4
72.83533	0.4
80.62703	0.4
84.04432	29.3
85.02797	0.4
85.73994	0.5
86.09634	0.8
92.10953	0.4
93.07028	0.5
102.05489	0.5
103.05406	6.2
107.04903	2.3
109.13065	0.4
114.23946	0.5
120.08061	100.0
121.08404	2.3
127.72587	0.4
130.04988	5.7
131.04903	4.7
137.24117	0.5
137.27429	0.4
149.05943	1.0
158.01210	2.2
166.08607	28.7
176.02385	0.5
178.05350	0.7
186.09079	6.7
196.06429	1.0
201.04271	0.5
203.13799	0.6
222.04425	3.0
224.05963	0.6
232.09683	5.6
240.05399	6.2
242.12111	0.4
278.10220	4.0
295.12836	24.5
296.13043	1.3
333.07578	0.6
351.08585	3.9
354.32043	0.4
372.62231	0.4
437.44299	0.5
442.85889	0.5
627.20093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70565	0.4
54.11692	0.4
57.07001	3.0
57.27993	0.4
59.74876	0.4
61.44394	0.4
61.78820	0.4
62.06009	2.2
66.43790	0.4
71.08547	0.8
72.18025	0.5
79.80406	0.4
85.10094	0.5
90.83021	0.4
103.83864	0.5
111.38656	0.5
116.05283	0.5
165.50960	0.4
177.39738	0.5
184.07262	0.5
185.04218	9.3
203.05295	2.4
240.26897	0.7
258.27859	18.9
259.28275	5.0
292.09201	0.4
461.01166	0.5
465.28131	22.8
466.28467	0.6
627.33411	100.0
628.33582	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	627.3349
Annotation	Leucasperoside B
Peak:m/z	Relative Intensity
52.72810	0.6
53.62540	0.6
54.81848	0.6
55.05437	0.8
67.05437	0.7
76.56593	0.8
80.03102	0.7
81.06971	1.3
86.09623	1.7
97.02792	1.0
144.02516	0.8
146.98169	1.3
184.07362	1.4
203.05237	14.1
205.50233	0.8
206.45319	0.8
288.14267	0.8
297.28888	0.8
419.59354	0.9
447.27087	35.2
456.83490	1.0
465.28229	4.3
553.89862	0.9
627.33405	100.0
628.33710	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70565	0.4
54.11692	0.4
57.07001	3.0
57.27993	0.4
59.74876	0.4
61.44394	0.4
61.78820	0.4
62.06009	2.2
66.43790	0.4
71.08547	0.8
72.18025	0.5
79.80406	0.4
85.10094	0.5
90.83021	0.4
103.83864	0.5
111.38656	0.5
116.05283	0.5
165.50960	0.4
177.39738	0.5
184.07262	0.5
185.04218	9.3
203.05295	2.4
240.26897	0.7
258.27859	18.9
259.28275	5.0
292.09201	0.4
461.01166	0.5
465.28131	22.8
466.28467	0.6
627.33411	100.0
628.33582	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	627.3343
Annotation	Leucasperoside B
Peak:m/z	Relative Intensity
51.62030	0.4
61.75852	0.4
67.05424	0.9
67.22657	0.4
67.27151	0.4
73.95764	0.4
75.45116	0.4
76.56535	0.4
86.09645	1.9
112.60449	0.5
116.90773	0.4
117.74699	0.5
167.03024	0.4
184.07341	0.8
185.04282	0.6
203.05212	8.7
279.51144	0.5
298.62479	0.5
308.12915	0.5
319.43103	0.6
320.75543	0.5
408.38785	0.5
447.27139	17.5
465.28110	14.8
510.72134	0.6
627.33380	100.0
628.33838	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
75.46137	4.8
76.31416	4.7
78.67287	3.9
83.56064	3.7
84.91905	4.6
89.08649	5.2
116.68496	4.7
145.02863	4.8
184.07376	18.5
205.03619	4.5
213.69914	4.6
298.07559	4.7
355.76868	5.0
405.54404	4.8
411.93988	6.2
447.27167	10.0
465.28262	8.1
469.85706	5.0
627.33282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87406	0.3
55.05444	0.7
56.04977	0.4
60.88211	0.3
67.05429	1.2
69.03348	2.1
70.06509	4.9
71.75020	0.3
72.08064	0.4
79.05395	1.4
81.06977	3.1
84.04434	3.0
84.08069	3.4
85.02828	0.7
86.09615	0.7
86.78631	0.4
89.03819	0.4
90.53108	0.3
91.05404	1.6
92.10917	0.3
93.06963	0.7
93.83853	0.3
95.04919	0.4
95.08541	0.4
97.02808	0.7
102.05494	0.3
105.06988	1.3
107.08557	1.6
109.06472	1.6
109.10125	1.4
110.07117	1.2
117.03313	2.0
119.01885	0.6
119.04951	0.4
120.08059	1.6
121.10105	0.5
123.08039	0.3
123.11662	0.4
127.03719	0.4
129.10220	1.6
131.08444	0.4
133.10109	1.4
139.03680	0.7
145.02835	2.7
145.10159	0.4
146.03174	0.7
147.11723	0.5
149.02078	0.7
155.03148	2.0
161.02905	0.4
165.12703	0.4
173.13383	0.4
177.05464	3.0
178.05843	0.4
181.04982	0.7
185.04236	0.4
203.03902	0.5
225.09688	0.5
227.05324	1.4
243.04697	0.6
245.06427	0.7
249.14682	2.4
253.03151	0.6
271.04309	0.5
291.14401	0.5
299.07468	1.8
309.15445	0.4
317.08441	1.6
334.37952	0.3
335.09378	1.6
341.08401	1.4
359.09344	4.4
375.08878	1.4
377.10455	5.3
385.07367	0.6
403.08347	2.6
411.19550	0.8
421.09473	3.9
453.20422	1.6
488.12668	0.3
525.23639	0.4
543.23969	6.6
559.23566	0.4
567.23529	0.5
585.25122	18.4
586.25848	0.6
608.87909	0.4
629.24054	100.0
630.24451	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	629.26
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81346	1.4
56.47659	1.2
67.05437	1.7
69.06985	2.0
71.04908	1.7
72.08064	1.5
76.95109	1.6
79.05412	1.6
85.02834	3.1
86.09653	1.7
90.59978	1.4
91.05378	1.4
93.06966	1.5
95.08533	1.9
101.93898	1.4
122.05913	3.4
145.53638	1.6
172.07602	2.7
187.61761	1.7
199.08540	2.1
207.08937	1.6
211.08618	6.4
213.10455	1.7
220.15678	1.7
221.10686	6.1
233.76942	1.7
235.08640	3.2
236.09296	2.1
247.08469	1.8
249.10167	29.7
250.10880	5.7
251.11763	10.2
254.24496	1.7
261.09918	5.3
263.03726	1.8
263.08081	3.1
263.11795	6.5
264.12241	1.7
277.09586	13.9
278.10172	3.3
279.11234	2.2
295.10516	1.9
309.12231	11.6
310.13177	3.6
311.14014	2.8
312.11310	1.7
313.12341	3.4
323.10425	2.8
323.13806	17.4
324.14810	6.5
325.13086	2.0
326.12936	6.7
327.13821	7.8
328.14420	10.2
338.12772	1.9
338.16443	5.6
339.17548	5.6
340.10733	3.5
340.14365	3.8
341.11475	17.9
341.15436	6.8
342.12103	12.6
342.15927	7.4
343.12769	1.6
353.12396	2.3
354.12280	19.5
355.13016	22.0
356.13821	44.4
356.17828	4.0
357.14532	5.2
364.14337	1.9
366.15842	7.4
367.17123	12.5
368.09952	2.9
368.13864	18.9
369.14615	15.9
370.15445	25.7
371.15976	2.9
380.13907	14.7
382.11612	6.3
382.15735	3.3
383.12280	6.6
384.13110	10.2
384.17416	15.8
386.19144	1.8
394.15405	2.0
396.13229	9.7
398.14172	20.4
398.18680	13.4
399.19113	2.3
401.13608	19.6
402.13623	1.8
410.14526	2.3
412.16431	13.1
414.14496	19.6
415.14807	1.9
416.15802	10.9
417.16351	3.0
428.15689	6.2
429.16797	15.5
430.17639	13.8
437.04684	1.9
438.14493	11.8
439.15018	3.0
440.15369	1.9
444.19049	15.3
456.15759	16.7
457.16153	29.0
458.16974	24.9
474.16473	9.7
488.17899	15.5
489.18845	100.0
490.19403	27.0
547.11469	3.5
579.22369	3.2
597.23309	17.5
611.24866	7.8
629.25775	40.7
630.25702	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	2.9
55.05446	3.0
57.03377	1.7
57.29849	1.3
61.02858	1.8
67.05428	8.9
69.03352	11.9
69.06978	5.6
70.06492	11.6
70.09361	1.6
71.04930	5.6
72.08064	1.8
73.02835	3.5
76.68556	1.5
78.71461	1.4
79.05391	2.6
81.03331	17.4
81.06988	16.4
83.08549	2.0
84.04428	3.2
84.08053	9.6
85.02830	68.8
86.09618	3.9
91.05403	7.2
92.10851	2.4
93.06981	14.5
95.01259	3.4
95.04871	1.5
95.08541	18.6
97.02835	29.4
99.04390	49.6
103.03882	100.0
103.04588	3.2
105.06969	10.3
107.08543	10.9
109.02830	22.6
109.10136	15.9
110.07153	2.4
116.98561	1.6
119.08559	11.6
120.08101	2.1
121.10091	9.9
123.11644	6.7
127.03880	94.0
129.10239	2.4
131.08553	6.5
133.10097	7.6
135.11685	3.8
137.09642	2.2
141.01791	7.3
145.04935	27.0
145.10080	3.2
147.11670	8.6
149.13257	3.8
159.11630	3.7
160.11919	1.7
161.13251	3.0
163.05997	30.0
163.14793	3.7
169.04926	1.8
173.13191	2.5
175.14813	3.0
179.06790	2.2
269.22528	3.8
287.23633	11.9
289.09155	2.5
291.19446	3.4
305.24652	2.8
307.10187	10.8
575.31781	2.9
593.33844	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74784	3.5
53.00230	5.2
55.01811	4.1
55.05447	21.9
57.03366	6.8
57.07011	7.9
67.05428	70.4
69.06987	22.7
71.08537	29.6
74.19636	3.9
79.05419	72.8
81.06979	79.7
83.04897	8.7
88.51023	4.7
89.05972	30.0
91.05388	41.8
93.06984	100.0
95.04917	8.9
95.08551	50.5
97.06494	6.9
99.08020	8.4
105.06980	40.1
106.84325	5.1
107.08549	37.9
109.10106	17.5
117.06947	6.9
119.08541	21.2
121.10100	26.2
131.08536	10.1
133.08536	7.8
133.10077	17.7
135.11656	20.9
139.45346	4.1
145.10054	5.9
147.11630	9.4
149.13310	5.5
151.11192	6.0
159.11642	5.8
163.11162	4.6
173.13150	4.3
179.14247	33.7
193.86726	4.4
225.45728	5.3
277.21548	20.4
285.31522	4.5
335.25687	25.0
351.25275	19.9
415.25540	5.7
433.53842	4.6
611.46814	53.4
629.48004	9.1
658.72314	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	630.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	12.8
54.81659	1.9
55.01800	10.7
55.05439	3.0
57.03370	9.8
57.57099	1.9
60.80364	2.0
61.02845	9.0
65.90292	2.1
67.05418	9.5
69.03352	26.6
70.06504	28.2
71.04903	11.8
72.08052	4.0
73.02820	4.9
75.85033	2.3
76.13696	2.5
76.56227	2.4
79.05401	12.0
80.61071	2.0
81.03331	34.2
81.06967	14.0
84.04433	5.5
84.08056	15.7
85.02828	59.7
86.09615	3.3
87.00756	26.0
91.05409	9.6
93.06958	11.1
95.08518	4.5
97.02821	39.9
97.06397	2.3
99.04390	18.7
105.01798	12.7
105.06977	15.3
107.04902	12.8
107.08530	4.1
109.02843	32.3
109.10078	4.8
110.07098	2.3
116.07036	4.3
117.06939	3.6
119.08522	15.3
121.06420	5.1
121.10056	2.7
127.03880	34.6
128.06204	3.4
129.06921	12.6
129.10194	5.5
131.08527	21.1
133.10097	25.7
136.07590	2.9
137.09604	14.6
141.06909	2.9
143.08533	26.1
145.04936	11.9
145.10117	4.1
147.08020	13.6
155.08499	9.5
157.06477	9.3
157.10075	13.7
159.02853	8.8
161.09583	56.9
165.09103	12.8
167.08499	4.5
169.10117	5.7
171.08003	10.3
171.11714	4.9
173.05972	2.6
173.09575	15.0
175.07465	5.4
175.11801	5.3
179.10657	4.6
181.10039	19.8
183.08060	2.6
183.11720	4.3
185.05956	2.8
185.09508	3.8
185.13257	15.8
189.09055	13.4
199.07487	23.5
199.11111	20.2
199.14749	4.4
201.09081	31.8
207.10129	16.6
209.09590	9.1
209.11533	3.7
209.13321	3.7
217.12254	3.5
227.10634	56.0
227.14133	25.7
229.12163	13.5
231.04932	3.9
245.09355	4.2
245.11685	100.0
247.13046	3.4
255.10039	4.5
255.13686	27.4
263.11539	2.9
273.11148	54.4
273.14758	83.9
274.15179	2.5
275.16135	3.1
283.13297	4.3
291.12225	79.8
301.14273	44.1
319.15381	34.2
329.12454	15.3
347.14865	45.5
365.15826	98.9
366.15915	2.9
369.14404	3.3
646.04938	2.5
653.17340	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	630.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	2.3
53.71423	0.4
55.01811	0.8
55.05454	5.7
56.04961	0.7
57.03368	1.1
61.42316	0.4
64.33848	0.4
67.05427	9.8
69.03346	7.9
69.06987	2.9
70.06519	7.0
71.04905	4.1
72.08052	0.9
73.02819	0.5
73.46049	0.4
79.05405	13.6
81.03336	9.3
81.06968	5.9
83.04906	4.2
83.05989	0.6
84.04422	3.2
84.08069	6.9
85.02824	6.4
85.68147	0.5
86.09615	1.8
91.05410	7.8
93.06971	4.2
94.06484	0.5
95.04897	8.2
95.08533	4.7
97.02808	2.6
97.06436	3.6
99.04399	5.5
103.25954	0.5
105.06979	12.0
107.04900	25.3
107.08519	4.5
109.02833	3.4
109.06468	4.3
109.10104	39.5
110.07120	4.5
110.10476	0.5
111.04372	2.9
117.06972	2.1
119.08532	13.1
120.08048	0.9
120.08853	0.6
121.06484	3.4
121.10077	0.9
122.05987	3.1
123.04365	1.1
123.08011	1.1
125.05941	2.4
127.03883	2.0
128.06201	5.1
129.06995	4.2
129.10191	3.4
131.08540	3.7
133.10091	13.9
135.08066	1.7
136.07558	0.6
137.09593	58.6
138.09892	1.1
140.07088	3.4
141.01749	0.7
143.06943	0.7
143.07315	0.7
143.08551	15.6
145.04922	0.7
145.06354	0.7
145.10124	3.5
146.06087	0.8
146.07234	3.3
147.08026	22.6
147.11566	0.7
149.09541	0.7
151.03862	1.7
159.07988	1.0
161.09583	100.0
162.09972	3.6
163.11156	1.9
165.09076	53.3
166.09396	2.6
171.08018	2.2
172.03923	2.5
174.05426	0.8
174.06741	1.7
179.10640	8.1
189.09048	8.0
191.10622	1.0
197.11728	2.5
204.06506	3.6
207.10139	35.9
208.10403	1.1
209.11710	1.9
225.11197	25.1
226.11482	0.8
227.11841	0.8
243.12177	0.7
249.10321	0.6
269.12756	1.0
287.13867	1.9
313.11737	2.0
330.15936	0.7
331.12695	0.9
340.11069	0.6
345.14340	0.6
369.15332	2.6
384.13440	1.1
385.85135	0.5
387.16434	15.4
388.16678	1.0
398.14618	2.0
399.15668	2.4
400.16470	3.4
433.13693	0.5
458.16959	3.0
459.17749	1.1
483.51489	0.5
599.25171	7.1
622.29816	0.7
648.28174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27995	0.6
53.00230	0.9
53.03881	1.3
55.01809	1.9
55.05442	5.3
56.04974	0.9
57.03365	1.7
59.89343	0.8
60.05552	1.2
61.02846	1.6
67.05415	4.2
69.03333	4.5
69.06984	9.0
70.06507	12.6
71.04903	12.6
72.08044	1.1
73.02823	1.5
79.05406	22.4
81.03323	5.5
81.06960	6.1
83.04905	5.5
84.04426	1.8
84.08060	4.5
85.02827	5.8
86.09622	1.1
91.03862	1.3
91.05413	13.9
93.06966	19.7
95.04899	8.2
95.08513	3.5
97.02813	1.4
97.06438	2.0
99.04364	1.5
103.05395	0.7
105.06976	19.0
107.04898	13.4
107.08536	32.1
109.02823	1.5
109.06486	1.8
109.10101	9.3
110.07119	1.5
111.04384	1.3
116.07018	1.7
117.06967	7.2
119.08524	9.4
121.06458	20.9
121.10090	18.3
123.04307	0.9
123.08027	1.1
125.05956	4.4
127.03882	1.0
128.06131	1.1
129.06944	4.5
129.10185	1.6
131.08527	100.0
132.08861	1.3
133.10091	5.4
135.04385	0.9
135.08002	0.9
135.11636	3.7
136.07539	1.0
137.05966	1.3
137.09613	12.9
143.08537	5.1
145.10098	30.8
146.07268	1.6
147.08018	9.4
147.11713	1.5
149.06001	1.7
149.09599	45.3
153.05408	5.0
161.09570	26.3
163.11139	14.0
165.09064	17.1
167.07011	1.9
167.10635	1.2
173.09541	0.8
175.11874	6.6
179.10582	1.0
181.10240	0.9
189.09140	1.7
191.10620	21.5
207.10168	12.7
209.11681	90.5
210.12067	1.6
225.11165	8.8
237.02933	1.1
245.11569	1.6
273.11267	1.2
273.14728	1.1
291.12073	1.3
301.14273	1.2
329.12442	1.0
365.16208	1.2
387.16534	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	630.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	8.3
57.07008	56.0
58.19186	3.4
64.32963	3.5
67.05438	51.2
69.06954	6.2
71.08555	31.9
73.06451	7.8
79.05396	15.3
81.06968	7.4
83.08512	5.1
83.83511	3.2
85.10100	23.9
86.78197	3.6
87.04369	3.9
89.05402	4.6
89.05946	100.0
89.82394	3.7
91.05384	4.0
92.10261	13.4
93.06950	15.2
95.08552	7.3
95.45869	4.5
95.73527	3.2
107.08549	6.5
109.10084	33.8
117.09029	5.6
133.08578	35.3
148.00476	3.7
155.17873	3.9
177.11179	23.7
197.01222	3.6
225.84131	3.7
243.23235	4.2
287.25653	4.8
358.78287	3.9
368.66400	4.0
388.81125	4.7
489.35611	52.7
613.44971	19.8
630.35010	20.6
630.47083	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	631.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03860	2.9
70.06509	10.7
74.49862	2.1
84.08080	3.2
85.02837	5.3
89.03851	25.4
91.78001	1.9
99.29771	2.5
104.74061	2.2
110.07096	3.8
111.42843	2.5
117.03334	52.7
119.04899	3.0
129.10164	3.0
134.03601	2.6
137.05949	4.1
145.02832	95.0
149.05952	17.6
171.06438	3.7
177.05432	57.0
181.04930	64.0
199.03632	42.7
203.03127	48.7
255.06503	13.3
256.06873	4.4
263.11893	3.0
265.13330	2.8
275.03754	2.9
309.12244	12.7
310.13028	4.6
337.11752	14.2
369.14560	4.3
395.05826	13.8
417.37802	2.5
437.06805	3.4
451.08099	10.9
455.01541	3.5
455.07904	100.0
478.19586	2.6
571.10327	5.3
589.11877	2.7
608.29620	2.8
631.12585	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03860	2.9
70.06509	10.7
74.49862	2.1
84.08080	3.2
85.02837	5.3
89.03851	25.4
91.78001	1.9
99.29771	2.5
104.74061	2.2
110.07096	3.8
111.42843	2.5
117.03334	52.7
119.04899	3.0
129.10164	3.0
134.03601	2.6
137.05949	4.1
145.02832	95.0
149.05952	17.6
171.06438	3.7
177.05432	57.0
181.04930	64.0
199.03632	42.7
203.03127	48.7
255.06503	13.3
256.06873	4.4
263.11893	3.0
265.13330	2.8
275.03754	2.9
309.12244	12.7
310.13028	4.6
337.11752	14.2
369.14560	4.3
395.05826	13.8
417.37802	2.5
437.06805	3.4
451.08099	10.9
455.01541	3.5
455.07904	100.0
478.19586	2.6
571.10327	5.3
589.11877	2.7
608.29620	2.8
631.12585	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90637	0.9
61.60019	0.9
62.15638	0.8
67.05428	1.7
69.15421	0.9
74.55209	1.1
78.41668	1.2
79.05422	1.1
81.06918	1.3
107.08524	1.5
113.37025	1.2
122.05985	4.3
124.07541	12.0
135.29121	1.1
136.07553	1.8
146.05980	7.1
150.05357	1.3
154.93890	1.1
170.09607	4.7
172.03876	8.6
172.07727	1.4
174.05498	1.4
175.08682	1.2
184.07521	1.3
187.12224	6.2
198.09114	28.6
204.06601	9.0
206.08101	1.4
212.10692	4.6
215.11757	25.5
226.08571	7.6
227.11693	2.5
240.10069	1.2
243.11221	100.0
244.11551	4.8
255.11153	6.5
257.12741	4.7
269.12521	1.3
285.12292	63.2
286.12650	1.8
301.11761	1.6
303.09970	1.8
303.13333	40.6
304.13248	1.5
332.43185	1.5
525.11487	1.2
530.36194	1.4
599.24493	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	631.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01806	0.8
56.96943	0.6
60.22498	0.6
62.64920	0.5
67.05421	3.2
68.04935	0.8
69.06994	6.6
76.44219	0.6
77.81950	0.6
81.06980	0.6
81.31961	0.6
82.09913	0.6
82.89659	0.6
85.02808	1.1
91.02678	0.6
94.06495	10.5
95.04901	1.1
108.08064	1.2
110.05965	0.9
112.07530	1.4
114.03738	1.4
116.04937	2.4
118.06471	1.5
122.05986	34.7
123.04359	0.9
124.46550	0.6
134.05983	4.2
140.07053	42.9
144.04439	3.5
144.76073	0.8
146.05997	17.8
147.06702	1.5
148.07565	3.8
152.07057	1.5
162.05438	3.0
163.06209	0.8
164.06998	0.8
172.03905	36.3
172.07510	1.0
173.04567	2.7
173.10689	0.8
174.05487	21.8
175.05977	0.7
176.07018	9.8
179.58124	0.7
182.09732	0.7
186.09160	0.8
190.04953	4.3
191.05730	1.5
192.06509	2.6
197.10690	1.4
199.08618	1.2
199.12311	3.2
204.06529	53.3
205.06975	2.3
206.08090	11.3
209.10657	1.3
210.09198	1.2
210.11485	0.9
211.08607	2.8
212.09314	1.4
213.10239	1.5
216.10190	0.7
223.08582	1.6
224.09235	1.1
225.10217	7.4
226.11032	1.4
227.11717	19.6
237.10220	4.2
238.11003	1.3
239.08034	0.7
239.11758	7.0
240.12521	1.4
241.09686	1.2
241.13403	0.7
243.11198	1.5
249.10204	1.4
251.11702	3.5
253.09749	4.9
255.11356	0.9
263.08130	1.3
264.08801	1.6
265.09647	3.3
266.10089	0.8
267.11383	2.2
269.12817	11.7
271.10684	5.8
277.09845	0.8
279.11237	4.1
283.10764	9.9
284.11438	7.4
285.12265	6.3
287.13870	25.3
288.14627	0.7
289.13239	0.7
295.10638	0.8
296.11511	1.0
297.12274	4.1
300.12198	1.1
301.12253	4.8
302.12912	2.4
312.14914	2.6
313.11777	22.5
314.12683	2.6
315.13617	3.6
316.14487	8.8
316.17938	1.2
317.15002	0.8
323.10278	1.3
328.10773	1.2
328.14282	4.7
329.11462	4.6
329.15192	3.4
330.12262	4.4
330.15918	8.8
331.12732	9.3
331.16702	9.1
332.17487	0.8
342.12292	8.6
343.13089	7.3
344.13760	3.0
344.17508	7.8
345.14368	15.7
354.16074	1.4
356.13852	4.7
357.14734	3.7
358.15417	12.2
359.16284	0.8
363.15341	1.5
367.13037	0.9
370.15573	6.0
371.16199	1.0
372.17117	5.9
374.18802	1.1
382.11813	2.9
383.12625	4.5
384.13321	18.8
384.17932	0.9
385.13898	6.9
386.14459	6.2
386.18680	3.0
388.16324	1.4
390.17990	5.0
398.14914	20.5
399.15723	31.4
400.16470	40.8
401.16806	2.7
402.14456	3.3
412.16415	1.4
414.18100	7.2
415.18484	1.3
416.15826	3.2
417.16980	6.8
418.17575	10.3
430.17316	2.6
431.18158	3.1
440.16022	4.0
441.16705	1.1
442.17227	0.8
444.15540	4.2
458.16995	28.3
459.17673	12.1
460.18481	1.3
490.19510	4.5
491.20340	1.2
539.22870	0.9
557.23706	1.6
581.23529	3.9
599.24939	100.0
600.25214	7.2
631.27765	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	631.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07991	0.8
53.03890	0.8
53.30554	0.8
55.01804	1.6
55.05458	1.1
55.79848	0.8
57.03362	2.2
62.93291	1.0
67.05415	4.8
68.04942	1.0
69.03320	1.3
69.06990	8.0
70.06503	5.9
71.04926	3.0
79.05396	2.1
80.04922	1.2
80.59048	1.0
81.03334	6.0
81.06976	5.5
83.08549	1.2
83.34735	1.0
84.04454	1.9
84.08056	4.0
85.02832	6.4
86.09624	1.6
86.31352	0.9
87.70231	0.8
91.05399	1.1
93.06941	3.6
94.06499	11.2
95.01228	1.7
95.04901	3.9
95.08529	6.6
97.02826	6.1
105.06977	2.2
107.07226	0.9
107.08534	2.0
108.08058	4.4
109.02831	22.3
109.10075	2.2
110.07122	1.3
112.07565	2.1
116.04891	1.8
118.06519	1.6
119.08509	3.4
120.04396	1.6
120.08064	1.7
121.10095	1.7
122.05987	28.0
123.11622	1.0
124.07572	1.2
127.03858	7.6
128.77109	1.0
129.10149	1.0
131.08524	1.4
133.10115	2.0
134.05983	2.4
135.11720	1.6
138.05406	1.3
140.07042	28.1
141.01770	2.2
144.04416	6.8
145.10153	1.2
146.05980	18.0
147.06699	1.2
147.11670	1.6
148.07533	4.4
149.13174	1.1
150.09138	1.0
152.07034	4.4
158.53180	1.0
159.11734	1.1
161.13280	1.3
162.05486	3.9
163.06323	1.4
169.04907	2.0
172.03906	46.3
172.07477	1.1
174.05460	12.8
176.07027	7.1
184.07391	1.3
190.04938	6.8
192.06602	1.7
197.10764	1.2
199.12254	1.2
204.06535	64.5
206.08098	16.8
209.10635	1.2
211.08655	4.1
212.09348	2.3
225.10167	9.9
227.11752	18.5
235.08684	1.2
237.10312	3.7
238.10864	1.9
239.11687	6.0
240.12378	1.4
241.09637	1.2
249.10150	3.9
251.08215	1.9
251.11644	4.1
253.09637	4.2
263.08273	1.2
264.08990	1.5
265.09518	3.9
267.11230	1.5
269.12827	10.7
271.10736	7.0
279.11035	4.3
280.12006	1.0
283.10666	10.5
284.11423	10.3
285.12335	4.4
287.13867	21.0
295.10690	4.1
297.12427	2.3
301.12088	5.5
302.12823	1.2
312.15036	1.9
313.11996	7.1
314.12698	4.6
315.13571	4.1
316.14294	10.4
326.16266	1.8
328.14386	4.2
329.11511	5.9
329.15305	5.1
330.12244	3.5
330.15930	8.8
331.12900	3.8
331.16660	9.3
332.17172	1.3
342.12393	6.6
342.16071	1.4
343.13083	5.8
344.13831	1.5
344.17374	8.0
345.14398	20.0
346.14609	2.0
354.16080	1.7
355.13342	1.2
356.13669	7.7
357.14746	6.1
358.15622	10.1
363.15692	1.6
370.15421	4.1
371.16306	1.7
372.17044	8.0
373.16968	1.1
382.11685	4.7
383.12704	1.6
384.13272	14.9
385.13898	5.7
386.14471	6.8
386.19016	2.2
390.17950	7.7
398.14862	16.4
399.15704	32.8
400.16443	40.6
401.16537	1.8
402.14154	3.9
412.16632	1.6
414.18060	7.2
415.18829	4.1
416.15924	4.5
417.16800	7.1
418.17606	10.1
428.16061	1.7
430.17612	3.6
431.17984	2.2
440.16064	3.9
441.16794	2.3
444.15207	2.4
458.16992	23.3
459.17700	13.2
460.18393	4.2
476.17841	2.3
490.19995	7.8
491.19913	4.3
508.20798	1.6
515.78009	1.2
557.23505	1.7
581.23450	5.2
599.24921	100.0
600.25122	7.5
631.27240	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	631.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78764	0.5
58.72671	0.6
69.06982	0.9
69.50386	0.5
70.06501	1.1
74.23267	0.5
78.84717	0.5
84.04421	0.9
84.08074	0.8
85.02845	1.0
87.23446	0.7
90.05476	1.4
91.57271	0.6
92.64569	0.6
94.06504	0.8
95.08549	0.6
96.80657	0.6
97.02814	0.7
122.05998	0.8
136.07544	1.4
140.07018	1.2
145.10107	0.9
146.09648	0.9
164.07024	0.8
198.22136	0.7
204.06587	0.8
221.10667	1.2
222.00533	0.6
233.10670	0.8
235.08636	1.1
235.12238	2.4
236.09523	0.8
237.10277	1.0
237.13728	1.4
247.08580	2.3
248.09383	8.1
249.07603	0.8
249.10138	20.4
250.10893	3.8
251.11627	6.9
261.10196	3.5
262.10904	5.3
263.11725	100.0
264.12335	9.8
265.10031	1.8
265.13281	10.8
276.09012	0.8
277.09689	21.8
278.10263	1.3
279.11200	38.0
280.11713	3.4
281.12921	2.4
289.09500	1.2
290.10312	4.9
291.11203	40.8
292.11957	12.0
293.12729	2.9
295.10678	18.5
296.11472	1.2
297.12164	0.8
303.07596	3.9
307.10614	4.5
308.11481	2.6
309.12256	47.2
310.12955	7.5
311.13873	5.6
317.09052	1.1
318.09988	4.9
319.10605	3.2
323.13824	57.2
324.14233	6.1
335.10318	1.5
336.10956	40.3
337.11700	30.4
338.12311	9.5
339.13281	1.0
367.12842	18.5
368.13583	31.2
369.14368	57.4
370.15088	19.8
437.52719	0.7
458.17084	1.3
476.17752	1.6
478.19742	14.2
479.19879	1.4
490.19577	4.4
491.20416	0.9
508.20700	44.4
509.20825	3.3
510.22269	26.1
511.22476	1.5
599.24591	3.1
631.27057	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	0.2
54.68987	0.2
55.01802	0.3
56.04963	0.5
57.03359	0.5
57.60336	0.2
61.80820	0.2
65.03851	0.4
67.05432	0.4
68.79957	0.2
70.06136	0.5
70.06506	9.2
71.01279	0.4
71.06839	0.4
72.08048	0.2
73.02814	0.3
74.31203	0.2
79.05396	0.2
81.03322	0.2
84.04427	4.3
84.08068	2.7
85.02818	3.0
85.04761	0.3
85.59542	0.2
86.09618	2.0
89.03828	1.8
91.05402	2.5
93.06931	0.3
95.01248	2.4
95.04898	2.5
97.02784	0.3
99.00745	0.3
102.05467	1.1
103.03847	0.2
103.05388	0.9
105.06976	0.4
107.04895	0.9
108.02048	0.4
109.02840	0.3
110.07142	2.2
111.04350	0.3
113.02314	0.5
115.05414	0.3
115.08647	0.4
116.07039	0.9
117.03336	3.8
118.06480	0.3
119.04901	3.5
120.08064	1.0
121.02800	0.3
121.06448	0.4
125.05917	0.9
127.03833	0.4
129.10185	1.3
130.04935	0.4
131.03386	0.3
131.04919	0.3
134.03583	1.4
135.04396	3.6
136.07558	1.2
137.05951	5.1
139.31277	0.2
141.01791	2.9
141.05453	1.7
141.06471	0.2
144.08098	0.2
145.36726	0.2
146.06010	2.4
147.04398	4.1
149.05952	18.9
150.06650	1.1
151.03879	50.3
151.04951	3.3
152.04204	0.5
152.06216	0.3
153.06975	1.4
153.72279	0.2
154.47351	0.2
155.08511	0.4
159.09065	0.4
161.05959	1.2
162.06749	1.2
165.05496	0.4
165.06970	1.2
168.05611	2.1
169.06395	0.5
175.03929	0.4
177.05420	1.3
179.07053	0.8
180.05650	0.9
181.05067	0.2
181.06480	1.8
182.07127	0.3
183.08049	5.8
185.05885	1.1
188.07022	2.9
193.06540	0.3
195.08052	0.4
196.05162	5.1
197.05902	2.0
199.07509	1.1
200.08244	1.6
204.07692	0.3
207.06435	0.4
208.05089	0.9
209.05940	0.3
211.07506	12.0
212.08243	2.3
213.05426	3.6
213.08937	0.4
214.06180	0.3
215.07033	0.4
217.21458	0.2
221.05836	0.3
224.04572	1.3
225.05417	2.0
225.07397	0.4
227.06958	2.4
228.07759	5.9
236.04599	0.9
237.05322	0.3
239.06978	3.2
240.07773	3.5
241.04933	2.0
241.08620	0.4
242.09349	0.3
243.10332	2.4
251.07103	0.9
253.04915	0.5
255.06381	0.4
256.07233	5.4
257.07739	0.3
258.08762	0.8
266.96091	0.2
267.06604	0.4
268.07224	1.1
271.06015	0.9
271.09576	2.1
274.08228	0.3
279.06342	0.3
283.09039	0.4
299.09073	100.0
300.06265	0.5
300.09357	3.4
303.08615	1.4
311.09100	5.1
315.08493	3.1
317.10101	1.3
329.10132	8.8
330.10324	0.5
334.13916	1.0
347.11258	0.3
391.13757	7.3
407.54828	0.3
411.16013	0.3
413.37720	0.3
475.12054	2.5
549.15753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71275	0.5
53.00239	0.8
53.03874	0.6
55.05452	12.9
57.03365	2.5
57.07005	2.2
59.04922	2.3
64.33869	0.6
65.03851	1.3
67.05427	100.0
68.05749	0.6
69.06985	10.3
71.04908	1.0
79.05405	9.9
81.06974	38.4
81.07452	1.4
83.04881	0.8
83.08539	8.0
85.06464	1.3
89.87228	0.5
91.05403	11.2
93.06970	13.8
95.04910	1.2
95.08537	27.1
97.06458	1.0
97.10109	1.3
98.98401	0.7
105.06960	3.6
107.08535	5.1
109.10104	50.0
111.08028	1.0
119.08543	5.1
121.10080	3.4
123.11658	2.6
124.42294	0.6
129.81985	0.5
133.10071	2.4
135.11581	1.2
137.09590	1.3
147.11623	1.0
173.11716	5.7
175.14769	0.6
180.13783	4.4
198.14838	7.0
229.14319	1.4
263.23740	0.9
306.27710	0.8
334.14212	0.9
337.27359	1.3
350.70035	0.8
352.15179	2.5
378.17511	0.6
404.90021	0.7
491.37201	88.1
492.37570	6.0
568.00549	0.7
614.37964	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	632.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	0.9
53.03875	1.0
53.64336	0.5
55.01802	0.6
55.05453	16.3
57.03357	3.0
57.07000	2.7
59.04916	2.7
61.53370	0.5
65.03857	2.6
67.05428	97.7
69.06650	0.7
69.06992	12.5
71.04894	3.2
79.05406	11.5
80.04843	0.6
81.06974	40.2
81.07451	1.3
83.08541	7.2
85.06443	2.7
90.64836	0.6
91.05407	8.8
93.06967	11.9
95.08536	23.2
97.06430	0.7
97.10074	1.1
98.05967	1.1
99.08018	0.8
105.06962	4.4
107.08557	4.9
109.10106	51.0
111.08002	2.4
114.06234	0.7
117.06883	0.6
119.08537	6.6
119.62801	0.6
121.10095	3.6
123.11650	1.5
131.39230	0.6
133.10065	3.0
137.09563	1.1
147.11641	1.0
149.13200	1.0
163.14731	0.6
173.11679	5.7
180.13763	4.7
198.14845	3.7
223.68909	0.5
229.14380	0.7
278.11423	1.1
306.27930	2.9
337.27246	0.9
352.15173	2.3
361.95670	0.6
491.37210	100.0
492.37683	8.2
590.52234	0.6
614.37854	8.2
659.55890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57373	0.7
56.96498	8.6
57.37158	0.8
58.21700	0.9
60.38498	0.7
76.61411	0.8
77.68431	0.8
86.09597	1.1
92.10303	1.2
98.97536	0.8
102.92581	1.2
105.06977	0.9
110.97668	0.8
114.32353	0.9
115.97849	0.8
119.48893	0.8
128.98540	1.0
132.20900	0.8
132.58084	0.9
136.93095	4.1
146.99652	3.6
154.94144	13.0
172.95198	77.6
184.07283	2.0
190.96246	80.5
195.96762	3.9
208.97298	1.9
210.96700	8.8
212.98271	1.1
213.53751	1.0
213.97833	1.1
228.97791	43.4
230.99371	3.3
246.98782	9.0
317.17758	20.2
333.17303	2.1
335.18854	16.2
358.20468	1.7
397.14481	4.6
453.16983	29.6
454.17450	1.3
471.18115	100.0
472.18347	5.7
487.21808	1.1
487.88776	1.0
494.19513	3.5
633.23425	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	633.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81401	1.0
64.46828	1.1
69.06974	2.5
69.30170	0.9
94.06495	5.3
95.90889	1.0
106.06482	1.8
122.05982	13.3
136.07550	19.9
140.07057	12.8
141.69458	1.0
146.06023	11.0
148.07497	7.6
152.07021	2.1
162.05437	1.2
164.07019	12.8
166.08607	11.8
172.03889	9.0
174.05467	6.8
174.09052	1.3
176.06990	14.3
190.04922	2.5
204.06589	10.1
206.08054	1.7
206.23653	1.0
209.10767	1.5
210.11438	1.6
211.12111	1.4
221.10634	1.7
222.11420	1.3
223.12177	2.1
225.10130	1.4
225.13715	1.2
227.11700	1.9
235.12134	1.9
237.10208	10.2
237.13745	1.9
238.10976	13.8
239.11705	11.6
248.09370	4.1
249.10181	5.9
250.10837	2.4
251.11734	13.5
252.12282	1.6
253.13324	1.9
261.12341	1.7
263.11752	19.2
264.12332	4.7
265.09641	9.2
265.13287	29.3
266.10367	1.8
267.11185	5.6
271.14310	4.4
277.09702	5.0
277.13217	1.3
278.10373	1.4
279.11212	100.0
280.11725	10.4
281.12671	5.9
283.10779	2.1
287.13672	4.5
291.11182	5.9
292.11981	1.8
293.12802	8.2
294.13391	1.2
295.10666	7.1
296.11612	2.1
297.12271	52.4
298.12796	7.6
309.12256	39.8
310.12964	16.8
311.13705	6.6
313.11667	2.3
319.10806	4.9
321.12347	10.7
322.12881	1.4
325.11719	2.4
331.12885	1.1
337.07675	2.1
337.11734	49.9
338.12454	18.0
339.09326	2.4
339.13303	54.8
340.13760	7.9
369.14316	10.0
370.14886	1.4
371.15857	22.0
392.19525	1.3
400.16183	1.6
438.20020	1.6
460.18588	25.6
461.18887	2.2
478.19574	26.8
479.20120	2.3
480.20895	4.9
510.22202	15.1
601.26373	35.7
633.29364	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	633.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05409	1.3
94.06464	3.7
108.08070	1.8
113.19715	0.9
120.08017	1.1
122.05992	9.0
124.07593	1.2
131.09760	1.0
134.05977	2.0
134.44832	1.0
136.07556	23.8
138.05453	1.1
140.07002	9.7
142.80284	1.0
146.05977	6.6
146.09567	1.4
148.07553	6.5
152.07030	1.4
162.05438	1.1
164.07013	23.0
166.08586	6.2
172.03947	10.2
172.31369	0.9
174.05420	1.7
176.07045	12.1
190.04926	4.2
204.06577	8.7
206.08116	2.1
210.11458	1.6
211.12234	2.1
222.11285	1.3
223.12262	3.5
224.09306	1.1
225.10205	4.5
225.13792	1.2
235.12242	5.3
236.13002	1.2
237.10115	10.4
237.13850	3.8
238.10918	9.8
239.11713	15.4
248.09476	5.2
248.12910	1.1
249.10204	10.6
250.10907	6.6
251.11755	15.7
252.12360	1.7
253.13145	2.1
262.10809	1.2
263.11765	29.4
264.08859	2.0
264.12308	6.7
265.09711	9.4
265.13281	38.1
266.10254	2.3
266.13864	2.3
267.11191	5.3
269.12778	2.2
269.67545	1.1
270.13284	1.1
271.14288	1.7
275.11542	1.6
276.26733	1.1
277.09647	1.6
277.13223	1.4
278.10397	2.3
279.11224	100.0
280.11923	10.7
281.12766	5.3
283.10773	1.6
283.14322	1.1
287.13797	2.3
291.11133	10.7
292.11868	1.6
293.12796	10.1
294.13486	1.7
295.10794	3.5
295.13940	1.1
296.11465	4.3
297.12271	49.5
298.12772	7.6
309.12283	73.5
310.12924	20.7
311.13806	11.2
313.11789	1.4
318.03232	1.1
319.10800	5.3
321.12296	7.0
325.11646	4.8
337.07736	2.0
337.11789	50.3
338.12476	22.4
339.13336	52.2
340.14026	4.1
369.14389	44.5
370.15302	7.9
371.15924	38.5
450.20389	1.6
460.18491	20.1
461.19067	2.0
478.19604	14.6
479.20303	1.3
480.21249	5.7
510.22281	65.8
510.29877	2.3
511.22928	6.7
537.27124	1.0
601.26520	47.1
602.26636	4.2
633.28864	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	633.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33526	2.6
67.05431	3.7
85.02753	3.5
94.06459	4.0
95.08488	4.2
97.02815	29.2
105.06980	3.7
106.06435	3.5
107.08528	4.9
109.02811	5.0
122.05977	17.3
124.07557	19.2
126.09067	3.2
131.04881	7.4
133.10071	12.3
136.07510	22.7
137.09657	3.2
143.08548	3.1
148.07555	29.1
166.08557	12.6
172.03880	4.1
174.05437	3.5
174.09206	3.8
180.08014	3.1
184.07370	4.0
187.08707	3.0
188.03358	5.1
195.21631	3.2
204.06627	12.2
211.08604	4.8
213.10048	5.7
227.11685	5.1
237.10210	5.6
239.11890	9.9
249.10204	19.3
251.11745	26.6
253.09593	13.5
263.11850	10.7
264.12463	4.1
265.13217	11.6
266.10471	5.1
266.14203	3.4
267.11194	11.8
271.14484	5.8
279.11179	13.7
285.12289	4.7
289.11713	7.3
295.10715	16.2
296.11475	5.9
297.12225	15.6
309.12164	3.9
311.13632	11.4
313.11774	6.0
316.14377	4.4
344.13687	11.5
344.17465	3.8
356.13547	3.3
358.15338	6.7
360.17078	4.8
368.13220	3.8
369.14340	4.1
370.15033	3.7
371.16275	6.4
372.16620	4.3
373.17950	4.0
385.17950	5.6
386.18741	21.9
389.77527	3.9
414.17825	20.0
432.19125	100.0
433.19556	12.8
442.17416	5.3
460.18408	6.6
492.21198	98.2
493.21332	4.3
573.27118	28.2
583.25861	4.5
601.26270	31.0
633.28833	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2915
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
54.81440	0.9
55.01841	0.8
79.05414	1.1
95.08577	1.4
96.08065	3.9
97.02827	1.0
106.80233	0.9
111.68060	0.9
122.06012	5.9
124.07550	68.2
134.06004	1.4
136.07582	1.3
144.04483	4.5
146.05981	16.6
146.06873	0.8
148.07585	1.4
152.07060	2.0
162.05533	2.2
172.03897	29.2
173.04662	2.0
174.05463	17.1
174.09291	0.9
176.07008	9.7
177.66216	1.1
190.05019	1.6
191.05780	6.2
192.06471	3.5
197.10799	1.9
199.12306	4.2
204.06514	32.1
206.08061	6.9
209.10733	1.2
210.09225	1.2
211.08702	3.6
212.09349	1.4
213.10269	1.6
223.12154	1.5
225.10188	9.1
227.11757	23.3
237.10202	3.5
238.10985	2.0
239.11717	6.7
241.09631	1.7
241.13406	3.5
249.10258	1.7
251.11865	4.7
253.09732	2.0
253.13521	1.2
265.09711	4.1
266.10477	1.2
267.11212	1.7
269.12772	18.7
271.10754	3.6
271.14429	1.2
278.10620	1.2
279.11221	7.5
280.12289	1.4
281.12799	0.8
283.10727	8.9
284.11313	6.6
286.13382	1.0
287.13849	31.7
287.16870	1.5
290.27698	0.9
293.21082	1.1
297.12241	22.6
301.12280	4.6
310.12918	1.1
314.12927	1.1
315.13474	12.8
316.14465	9.8
316.17676	1.2
317.70840	1.0
323.10202	1.8
327.17349	1.2
328.14557	1.8
329.11517	3.0
329.15042	12.7
330.12265	4.2
330.16006	6.8
331.16873	10.5
339.13239	2.2
340.14389	1.3
342.12405	6.8
342.16104	1.5
343.13208	3.8
344.13791	1.8
344.17502	6.4
354.16315	1.3
356.14038	6.2
357.14819	4.1
358.15512	12.1
370.11642	2.0
370.15707	4.3
372.16815	6.3
380.14285	1.3
382.11493	1.6
383.12778	3.3
384.13345	15.3
385.13974	3.6
386.14774	4.5
386.18823	4.0
388.16275	3.3
390.17923	5.5
398.14905	18.4
399.15692	30.6
400.16501	40.6
401.16156	1.3
403.18646	1.0
412.16446	1.2
414.18082	6.3
416.16037	1.5
417.16785	7.1
418.17566	9.4
430.17450	4.4
431.18250	1.4
440.16064	4.8
441.16666	1.4
444.15414	1.7
455.52817	1.0
458.17072	25.4
459.17761	15.2
460.18204	1.9
464.21933	1.7
490.19553	1.9
491.20267	1.3
539.27362	1.1
541.24500	1.1
565.24316	4.3
583.25452	100.0
584.25574	8.4
615.27838	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	633.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.7
54.81303	0.5
55.01820	0.5
65.03864	0.6
66.93176	0.4
67.05419	3.1
69.06995	4.6
70.06504	5.2
71.04910	1.2
76.02133	0.6
79.05414	1.1
81.03332	2.0
81.06976	2.5
82.64293	0.5
83.04889	0.8
84.04436	2.1
84.08080	2.5
85.02835	4.4
86.09610	0.9
91.05410	2.3
93.06996	2.0
94.06487	3.6
95.04911	1.9
95.08538	2.9
97.02832	3.3
97.06486	0.6
103.03915	0.6
105.07001	0.6
107.04892	1.0
107.08551	1.2
108.08085	0.9
109.02847	1.9
109.10104	6.2
111.26362	0.6
119.04946	0.6
119.08533	1.1
120.04401	0.7
120.08073	2.7
121.10063	0.7
122.05971	6.4
122.78514	0.5
124.07544	9.1
127.03884	2.9
133.10123	2.0
134.05989	2.0
135.11655	0.6
136.07552	22.5
137.09593	8.4
138.05490	1.2
140.07028	10.3
142.50403	0.5
146.05972	8.2
146.09679	2.6
147.11653	0.5
148.07541	1.9
148.26190	0.5
149.02325	3.7
152.07045	2.1
154.04970	0.6
155.10690	0.6
162.05533	1.1
162.09100	0.9
164.07028	27.3
165.09077	4.1
166.08577	6.6
172.03903	9.4
174.05542	6.0
176.07056	6.5
182.08154	0.9
184.07330	0.6
190.04945	0.9
191.05788	1.1
192.06468	0.6
201.11133	0.6
204.06522	15.0
206.08070	4.6
210.11440	4.1
211.08783	0.5
211.12294	1.2
215.07007	3.9
218.08197	1.0
221.10774	2.0
222.11499	3.0
223.10347	0.5
223.12312	3.2
224.10558	0.5
224.13011	1.1
225.10199	2.1
225.13910	0.7
227.11815	0.6
234.11459	0.5
235.08655	1.2
235.12151	4.2
236.13020	1.2
237.10155	10.9
237.13795	2.4
238.10950	5.5
239.11749	5.2
243.06523	2.8
247.12405	1.5
248.09351	7.3
249.10197	9.1
250.10963	7.9
251.11719	13.8
252.12468	2.1
253.13268	1.2
255.11314	2.3
262.10953	0.8
263.11731	35.4
264.09137	1.0
264.12460	7.3
265.09778	9.9
265.13339	32.8
266.10480	0.9
266.13910	3.2
267.11295	3.4
268.11777	0.7
268.27005	0.5
269.12793	5.7
270.13528	0.6
271.05975	5.6
271.14355	3.2
275.11722	0.7
277.09802	2.7
277.13086	0.8
278.10431	3.6
279.11206	50.7
280.11795	5.3
281.12714	4.4
282.13510	2.1
283.11020	0.9
283.14145	1.9
284.11496	0.8
285.12320	1.1
287.13904	2.8
291.11267	10.9
292.11945	2.3
293.12799	8.2
294.10022	0.7
294.13528	1.9
295.10764	3.1
295.14212	0.9
296.11536	3.0
297.12302	34.8
298.12790	4.6
299.14020	0.6
305.15012	0.6
309.12283	77.2
310.12997	23.2
311.13782	8.5
313.11694	1.1
315.13565	1.8
319.10803	5.9
321.12253	3.1
324.11105	0.7
325.11694	2.0
329.15222	0.8
331.12918	0.7
332.19479	0.7
337.11765	43.9
338.12518	21.0
339.13321	22.8
340.14020	2.5
345.14539	2.8
352.14276	0.6
355.12891	1.0
369.14386	81.4
370.15039	16.4
371.15897	16.3
372.16397	1.1
385.13693	0.7
392.19717	0.8
399.15710	0.6
400.16406	2.5
401.16785	0.9
418.17920	0.6
438.19879	0.6
450.20157	0.7
460.18463	11.6
461.18970	0.9
466.19611	0.5
478.19684	10.0
480.21246	1.1
492.21133	2.4
496.20877	0.9
510.22256	100.0
511.22601	7.5
583.25336	1.1
600.25024	1.1
601.26501	22.3
602.26428	2.1
633.29498	5.2
640.85004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81749	0.4
56.04981	0.6
56.78896	0.3
58.06533	28.8
60.05578	100.0
61.05294	0.4
70.06509	0.8
71.07291	1.6
72.04432	0.9
72.08074	2.1
77.71725	0.3
80.87408	0.3
82.02850	0.5
84.04429	4.1
84.08063	8.3
85.02834	0.8
86.03486	2.2
86.09621	4.1
87.98590	0.4
89.07081	0.6
90.40921	0.4
91.05407	0.5
97.02834	0.4
101.10735	1.9
119.04903	0.9
123.04398	3.1
123.77153	0.4
124.04634	0.3
127.03867	0.5
127.08631	48.6
128.08998	0.4
130.04994	0.6
132.08032	2.9
136.07567	5.9
146.06035	0.6
147.04449	1.4
148.03903	0.8
150.05496	6.8
165.05386	3.6
176.06978	4.7
182.08089	2.6
182.35167	0.4
182.36755	0.4
189.12384	0.5
202.08678	0.6
214.06133	0.4
219.07591	5.2
238.15405	5.5
264.13379	18.3
264.16116	0.6
311.12143	3.5
323.18182	36.5
324.18552	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95446	0.2
53.88697	0.1
56.84544	0.1
57.08851	0.1
57.71120	0.2
60.95769	0.2
64.73390	0.1
67.05398	0.2
71.25254	0.1
71.40463	0.1
72.94867	0.2
78.08578	0.1
122.03608	0.4
122.47729	0.1
127.80054	0.2
129.77615	0.2
137.05945	6.3
138.06279	1.2
230.10423	0.9
248.11304	0.8
290.64352	0.2
301.65228	0.2
318.21286	0.2
327.67685	0.3
328.18762	100.0
329.19147	3.1
417.19995	0.2
456.48941	0.2
581.71924	0.2
590.36072	0.2
632.36865	0.4
633.37378	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	635.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97336	0.4
55.05445	0.6
56.96497	7.4
60.08091	0.4
60.97584	0.4
66.81584	0.4
67.05411	1.7
71.95172	0.7
74.97519	0.6
81.06970	1.0
84.95986	0.4
86.09614	0.5
90.52858	0.4
95.08551	0.5
98.97503	0.6
102.92545	3.3
107.08521	0.5
116.98621	0.9
120.93635	0.5
124.99921	0.5
133.65125	0.5
136.93037	4.1
146.99654	0.9
154.94136	17.2
154.95346	0.9
158.99664	0.6
160.12518	0.4
161.01248	2.2
172.95192	83.2
177.00844	0.5
179.02246	0.5
184.07333	0.7
190.96243	70.4
191.85814	0.4
192.95566	0.8
195.96814	3.0
198.96721	0.8
208.97328	2.5
210.96753	12.5
212.98384	1.9
213.97873	2.3
216.97906	0.6
225.24614	0.5
228.97792	42.3
230.99394	2.5
233.98442	0.6
246.98822	9.4
251.99422	1.1
255.03821	1.9
308.87527	0.5
316.99341	0.8
319.19348	8.3
320.19858	0.5
335.00580	0.8
335.18936	2.6
337.20428	25.7
338.20804	0.8
355.21390	1.7
360.21945	0.8
373.18137	0.6
399.16019	2.8
417.17307	2.9
455.18558	12.4
473.19672	100.0
474.19876	6.8
496.21289	2.3
635.24969	19.2
636.25311	2.0
640.79968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02568	1.1
53.03881	3.1
55.05459	12.0
57.03375	5.7
57.07022	10.8
61.02849	2.9
63.22597	1.3
67.05422	24.4
67.08440	1.5
69.03351	23.8
69.06986	27.9
71.04900	9.6
71.08544	2.8
79.05415	11.7
81.03338	23.0
81.06976	62.0
83.08544	13.1
85.02828	79.1
87.04403	1.4
91.05406	3.3
93.06984	32.2
95.01268	5.8
95.08537	61.0
97.02827	29.1
97.10119	7.0
99.04391	53.2
103.03883	93.7
105.06976	7.8
107.08537	36.4
109.02832	21.5
109.10113	47.8
111.11694	2.1
119.08545	6.1
120.88104	1.4
121.10103	25.6
123.11671	20.0
124.98332	1.4
127.03879	100.0
133.10110	8.0
135.11658	19.5
137.13261	1.8
141.01833	7.7
145.04933	47.2
145.10063	2.7
147.11632	7.0
149.13255	32.4
159.11641	2.5
163.05995	43.1
163.14732	15.0
165.16344	2.2
173.13232	2.8
175.14806	2.1
177.16360	2.2
184.07332	2.0
187.06053	2.1
194.46458	1.6
199.14813	2.8
205.19508	2.4
217.19568	2.3
219.21085	8.1
223.30263	1.5
271.08160	3.0
275.27188	12.5
289.09067	6.4
307.10202	17.7
413.02676	1.7
423.36264	3.2
441.37631	2.1
511.11484	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06793	0.8
53.00254	1.7
53.03875	1.2
55.05447	13.1
57.03370	5.1
57.07013	2.3
65.03860	1.6
67.05437	25.5
69.03355	1.3
69.06994	18.4
71.01251	2.0
73.02838	6.7
79.05411	14.4
81.06981	52.3
83.04877	1.8
83.08549	10.8
85.02840	25.4
85.06496	1.4
86.09636	1.5
91.05405	16.0
93.06979	40.7
95.01260	61.4
95.04908	1.5
95.08540	100.0
96.08886	1.2
97.02807	2.0
97.10096	4.3
99.00748	5.1
99.08000	1.4
101.02341	1.4
102.06403	1.0
103.03903	6.0
105.06281	1.1
105.06989	38.2
107.08544	64.3
109.10112	65.0
109.10861	2.2
110.10452	1.4
111.08031	16.4
113.02328	4.5
117.06954	2.2
119.08544	54.3
121.10105	55.9
123.00691	1.4
123.11651	18.8
125.09607	1.7
129.54280	1.1
131.08562	14.9
133.10100	44.2
135.11662	40.5
137.13187	7.8
139.11166	9.2
141.01813	96.8
143.08546	2.7
145.10115	22.9
147.11662	28.4
149.13249	24.3
151.11169	1.2
153.12677	1.6
157.10101	4.6
159.02821	9.2
159.11688	25.7
161.13232	29.8
163.14795	22.4
165.12730	1.7
171.11633	2.6
173.13231	21.8
175.14781	23.0
177.03946	2.2
177.16353	13.6
184.07347	1.4
185.13304	4.6
187.14766	16.1
189.16360	19.9
191.14191	1.3
191.17928	8.4
193.15852	2.7
195.17479	4.4
199.14830	1.7
201.16350	15.9
203.17937	31.1
205.15874	5.0
205.19455	1.3
207.17462	6.3
213.16399	5.1
215.17937	17.3
216.18214	1.6
217.19493	10.1
219.17505	11.1
221.18996	7.7
227.17935	4.6
229.19492	17.3
233.19009	5.6
235.20508	1.3
240.14928	1.2
241.19371	2.0
243.21037	6.4
245.18884	1.6
247.20540	8.1
255.20999	2.3
257.22610	6.6
261.22064	2.4
269.22681	2.2
271.24127	1.8
273.22192	1.5
275.23724	1.4
283.24277	2.5
287.23755	1.7
297.25739	1.3
313.25177	1.3
315.27042	1.8
365.31964	2.8
383.33234	2.5
405.34979	9.1
423.36163	48.5
424.36578	2.7
441.37198	27.1
442.37387	2.5
573.47675	1.2
581.38104	2.3
599.39075	4.6
637.01111	1.3
651.23651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11911	2.4
55.05448	14.7
57.03355	3.6
57.07005	4.9
58.26655	2.5
59.81269	2.8
67.05430	28.8
67.05740	3.2
69.03362	4.4
69.06991	22.2
69.70663	2.6
73.02802	3.7
76.72042	2.7
79.05411	19.2
81.06979	57.6
83.08550	6.1
85.02824	35.6
91.05408	12.5
93.06983	30.1
95.01257	37.3
95.08532	100.0
97.02868	5.0
97.10087	3.6
99.04379	13.5
103.03848	26.1
105.06976	33.8
107.08549	53.1
109.10115	74.2
111.08039	13.8
112.54883	2.8
113.02313	3.9
119.08540	45.9
121.10094	53.7
123.11646	18.7
127.03889	24.6
127.11167	3.5
131.08546	16.5
133.10094	33.6
135.11662	30.5
141.00774	5.9
141.01814	79.1
145.04950	4.4
145.10118	16.7
147.11673	28.4
149.13275	25.7
159.02904	4.2
159.11641	21.1
161.13225	26.5
163.05995	12.2
163.14771	16.1
171.11768	4.5
173.13214	16.1
175.14818	17.2
177.16331	11.5
184.07315	4.6
187.14781	17.2
189.16382	15.9
191.18001	5.8
201.16402	14.8
203.17987	25.0
207.17473	3.6
211.14967	4.2
215.17949	15.7
217.19548	13.3
219.17586	5.2
221.18889	3.8
227.17921	3.7
229.19472	13.4
233.19029	3.3
236.93240	3.0
268.58109	3.2
405.34970	5.4
407.08084	3.3
423.36154	43.4
441.36960	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	635.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68818	1.7
53.03894	2.9
55.05450	16.8
57.03366	2.8
57.07012	2.4
61.02863	3.1
67.05431	25.5
69.03340	15.5
69.06992	24.7
71.01197	1.9
71.04902	3.7
73.02804	3.6
79.05411	11.6
81.03329	11.4
81.06977	58.2
83.04903	2.3
83.08527	15.0
85.02828	69.7
87.29918	2.6
91.05405	11.5
92.43666	2.4
93.06980	29.8
95.01258	52.2
95.04891	2.5
95.08537	100.0
96.08876	2.2
97.02841	18.1
99.04392	22.5
101.79266	2.6
103.03875	63.0
105.06976	35.2
107.08537	55.7
109.02814	3.7
109.10107	61.6
111.08017	11.4
113.02319	3.4
119.07771	2.9
119.08537	42.7
120.07980	1.9
121.10091	44.0
123.11674	21.3
124.07568	3.7
125.09596	2.9
127.03865	50.2
131.08569	16.3
133.10101	39.5
135.11638	27.1
136.04645	2.1
136.12111	2.5
137.13254	3.8
139.11153	4.4
141.01804	77.3
141.02827	2.9
143.08476	2.4
145.04959	22.4
145.10118	22.2
147.11679	26.8
149.13229	25.6
151.14784	3.4
157.10092	4.5
159.02855	9.4
159.11690	18.8
161.13184	21.3
163.05992	18.4
163.14859	19.1
163.15974	2.0
165.12665	2.4
167.80458	2.3
173.13173	12.9
173.14505	2.3
175.14799	19.3
177.03821	2.7
177.16345	11.0
185.13271	5.2
187.14775	9.6
189.16341	16.0
199.14714	3.5
201.16359	13.7
203.17941	24.3
205.15961	2.6
207.17506	2.4
215.17883	14.2
217.19464	5.0
219.17386	4.7
226.32712	2.2
227.17972	2.7
229.19460	11.7
233.18951	3.9
243.20872	3.0
247.20459	3.7
250.11052	2.4
251.11752	2.9
269.22699	4.6
275.27298	2.8
287.23611	2.8
289.09180	2.6
297.25412	2.4
307.10193	10.8
311.13766	4.1
405.34985	3.7
423.36185	35.0
434.20581	14.0
441.37286	21.0
442.37363	2.5
494.22787	13.9
507.76099	2.4
510.22308	8.9
581.37756	3.4
585.26471	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	636.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07163	1.2
52.32602	1.3
52.64189	1.4
53.00256	1.4
53.03883	9.9
54.81149	1.7
55.01815	8.4
55.05448	28.5
57.03377	8.7
57.07010	11.6
61.02854	1.8
65.03856	2.7
67.05425	98.2
67.05784	3.2
69.03350	27.4
69.06985	39.6
71.04910	8.6
71.08552	7.9
73.02838	2.6
79.05405	36.0
81.03335	67.7
81.06975	100.0
83.04897	9.1
83.08541	18.8
85.02825	48.7
85.06449	2.3
86.09667	2.1
91.05394	33.2
93.06973	46.4
95.04892	13.2
95.08527	83.5
97.02825	24.0
97.06461	6.1
97.10120	10.1
99.04381	9.0
99.08016	2.1
100.04767	1.5
105.06969	27.4
107.04906	7.0
107.08546	22.7
108.04456	2.1
109.02813	39.6
109.03504	1.8
109.06492	2.4
109.10094	30.5
111.04394	2.2
111.08059	1.8
117.06992	10.7
119.08533	23.7
121.06440	7.1
121.10112	15.9
123.04411	2.1
123.08018	3.2
123.11647	10.7
125.09541	2.1
127.03885	9.4
129.06950	3.8
131.08527	18.4
133.06465	2.6
133.10127	15.2
135.11642	11.5
137.13277	6.7
141.07019	2.4
143.08565	6.9
145.10101	11.1
147.08022	2.1
147.11681	13.9
149.13234	8.4
151.07515	1.9
157.10164	2.4
159.08054	3.4
159.11685	7.5
161.13235	7.7
163.14832	3.9
165.12756	2.2
169.10008	1.7
172.95203	6.3
173.13237	6.4
175.14795	2.9
177.16364	1.6
183.11812	1.8
184.07404	2.4
185.13216	1.8
187.14796	3.0
189.16339	2.6
190.96222	7.6
191.17876	1.8
195.08585	2.1
201.16386	1.9
213.16452	1.7
245.22523	8.4
258.28107	1.9
261.22125	3.0
263.23645	10.2
264.23898	2.2
287.23557	2.4
291.23065	3.2
303.23303	2.0
305.24768	6.5
317.24731	3.8
321.24118	2.4
329.24661	1.9
333.24225	2.7
343.26282	3.0
344.23679	1.6
347.25665	2.1
353.24658	9.0
359.25873	2.6
371.25742	28.4
389.26791	16.4
407.27850	23.2
425.28741	8.0
475.21176	3.3
520.74457	1.8
595.24445	1.8
637.26166	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	636.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04966	0.8
56.31841	0.1
57.07008	0.3
58.06528	0.4
59.07318	0.2
60.07784	0.3
60.08094	9.2
60.30937	0.2
67.05414	0.3
69.06956	0.2
71.07288	4.1
71.08556	0.2
75.28810	0.2
86.09624	46.7
87.09971	0.4
92.04876	0.2
92.29172	0.2
93.06988	0.2
95.08514	1.6
98.98389	3.5
104.10673	3.0
111.66907	0.2
124.99957	34.4
143.01025	0.4
166.02597	0.2
184.07297	100.0
185.07684	1.1
206.15782	0.2
207.85139	0.2
500.41101	0.2
562.73828	0.2
635.40637	0.3
636.42181	10.6
637.42322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32427	4.2
55.05452	26.0
57.07019	51.1
59.58493	3.8
67.05424	54.0
69.06986	32.7
69.34431	4.8
71.08545	28.1
79.05405	30.8
79.11980	5.7
80.76413	4.3
81.06981	92.9
83.08541	11.5
85.09534	4.7
85.10087	22.7
91.05408	20.5
93.06953	10.6
95.08549	57.5
97.06466	4.6
97.10086	6.8
105.06992	26.5
109.10117	10.7
111.08123	5.9
119.08540	10.2
121.10136	6.0
123.11657	7.1
147.11691	20.7
202.62442	4.9
208.16809	7.3
208.18591	5.6
289.65466	4.7
309.35745	5.8
313.27243	19.0
379.28827	4.6
476.82166	8.0
477.39328	86.8
495.40338	100.0
496.40292	6.9
635.40881	11.6
636.41644	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29224	1.0
51.56854	0.9
55.05441	5.8
57.07013	68.8
58.07346	1.3
59.39589	1.1
61.26512	1.2
61.40167	1.1
65.03866	7.1
83.04899	81.4
91.05399	18.0
98.98385	8.3
105.06977	8.4
117.06997	2.5
119.08553	8.7
122.22181	1.2
129.06958	2.2
131.08575	1.7
132.09351	7.0
141.06964	10.4
147.11662	58.7
151.01541	9.8
159.08009	10.9
161.13161	1.6
163.01520	5.2
169.07497	1.8
175.01540	8.9
181.02682	1.8
203.00775	1.2
210.96150	1.4
227.04692	7.7
239.04570	10.5
257.05630	1.6
337.02277	70.2
337.06281	2.7
338.02679	1.5
339.36993	1.4
393.08478	26.1
413.05716	2.3
469.11813	9.8
525.18195	20.8
581.24176	100.0
582.24670	8.7
637.30420	63.5
638.30945	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	638.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80516	0.4
60.08081	3.1
71.07275	2.3
72.99948	0.4
76.25555	0.5
78.84869	0.5
86.09623	21.5
104.10677	83.7
105.11006	0.5
109.96547	0.5
210.86215	0.6
236.99228	18.4
296.06528	100.0
297.06796	1.2
533.65125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47039	0.6
55.05447	1.0
56.04963	0.6
57.07001	0.7
60.08100	8.5
60.11520	0.6
66.42972	0.5
67.05422	0.9
69.06986	0.7
70.95977	0.5
71.07275	4.7
71.08549	0.7
71.25755	0.6
79.05437	0.7
79.47227	0.6
81.06972	1.0
83.08519	0.7
84.23718	0.6
86.09626	46.9
95.08522	1.1
98.98412	5.0
104.10673	3.0
105.59974	0.6
124.99961	33.4
127.41724	0.7
148.97020	0.6
161.41780	0.7
184.07303	100.0
185.07726	0.9
336.66577	0.7
397.45889	0.7
438.92725	0.8
497.38232	1.4
638.43823	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	639.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02322	0.7
53.00245	0.5
53.03891	0.5
55.01807	0.4
55.05443	0.7
63.02322	0.4
65.03867	8.0
67.05423	0.7
70.06503	2.2
74.84547	0.3
75.48840	0.3
76.03041	0.6
77.03836	1.5
79.05395	0.5
81.06985	0.3
82.04108	0.8
83.08512	0.5
84.04433	1.4
84.08080	0.7
85.02844	2.4
89.03826	2.2
91.05402	69.8
92.05743	1.5
92.10243	1.0
93.03282	0.5
93.31252	0.3
95.04887	2.1
97.06451	0.5
99.04366	0.3
100.11176	3.6
101.11479	0.4
103.05405	1.6
104.02523	0.3
105.03342	1.5
107.04897	0.8
108.05650	0.6
110.03630	1.5
111.04414	0.7
117.03309	2.4
118.04105	1.7
119.04891	84.5
120.05212	2.0
121.02821	1.4
122.03616	1.3
125.05931	0.8
129.03305	1.4
129.04373	0.4
130.04070	0.4
131.04959	0.5
132.02022	5.0
133.02834	0.9
135.04378	2.8
136.05179	1.9
136.07520	0.3
141.11412	0.5
142.02571	0.6
145.02821	3.6
146.03606	0.7
147.04385	68.8
148.04697	0.9
149.02295	5.2
150.03018	0.7
157.03951	6.8
163.03836	0.8
164.04608	4.1
171.06505	2.1
174.03102	0.6
175.03867	93.5
176.04274	3.1
177.05434	1.4
179.07001	7.5
181.04912	23.8
182.05234	0.6
182.15318	0.6
192.04128	2.3
207.06490	100.0
208.06796	3.2
213.17839	0.6
343.30426	0.5
442.02490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01546	0.4
51.02331	0.3
51.11461	0.2
53.03889	0.4
55.01820	0.3
55.68840	0.2
63.02291	0.5
65.03870	5.9
68.65500	0.3
70.06519	0.4
76.03069	0.6
77.03842	1.7
78.04653	0.3
79.01827	0.3
79.05383	0.4
79.42590	0.3
82.04121	0.5
84.04459	0.3
85.02859	1.3
89.03864	3.0
90.04682	0.4
91.05411	67.0
92.05766	0.7
93.03338	0.3
94.05214	0.3
95.04909	0.7
97.06480	0.4
99.85125	0.3
101.49159	0.3
102.04618	0.5
103.05414	1.7
104.02559	0.4
105.03374	0.4
107.04911	1.3
108.05680	0.7
110.03620	0.6
111.04423	0.4
116.36464	0.3
117.03331	0.3
118.04141	1.4
119.04903	76.9
120.05243	1.6
121.02838	0.7
122.03661	0.4
123.87622	0.3
129.03366	1.5
130.04115	0.7
131.04895	0.7
132.02063	4.8
133.02814	1.2
135.04388	1.8
136.04289	0.3
136.05214	2.0
138.03093	0.7
145.02843	1.8
146.03589	1.8
147.04398	65.4
148.04781	1.3
149.02313	4.5
150.03104	1.3
157.03951	6.5
163.03845	0.5
164.04630	3.7
171.06487	1.4
174.03151	0.5
175.03880	89.3
176.04320	2.4
178.02646	0.4
179.07005	7.2
181.04921	16.6
182.05299	0.5
191.03391	0.4
192.04155	1.8
201.80655	0.3
207.06505	100.0
208.06848	2.6
235.71471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01535	0.3
50.42844	0.2
51.02320	0.2
53.00262	0.3
53.03866	0.3
55.01809	0.5
56.04969	0.5
57.03366	0.3
58.19130	0.2
62.65580	0.2
63.02319	0.2
65.03860	6.4
66.58233	0.2
67.05412	1.2
69.03336	0.5
70.06504	4.3
72.08073	0.5
76.03068	0.5
77.03829	1.5
78.04621	0.3
79.05407	0.4
80.06194	0.3
81.03349	0.3
82.04121	1.1
84.04424	2.5
84.08070	1.8
85.02813	2.7
86.09612	0.5
88.78718	0.2
89.03830	2.8
89.06487	0.2
90.04617	0.5
91.05402	61.8
92.05736	0.9
92.10267	0.6
93.03323	0.4
95.04880	1.2
95.16940	0.2
97.02805	0.5
97.06404	0.7
99.32430	0.2
101.03889	0.2
102.04596	0.9
102.05447	0.4
103.03867	0.3
103.05405	1.7
105.03355	1.0
107.04903	1.0
107.08578	0.2
108.02085	0.2
108.05650	0.5
109.02817	0.3
109.06433	0.3
110.03621	1.2
110.07096	1.1
111.04387	0.9
117.03347	1.1
118.04108	1.9
119.04890	75.3
120.05241	2.0
121.02834	1.1
121.06400	0.4
122.03593	0.5
125.05907	0.4
127.03859	1.0
129.03307	1.4
129.10190	0.9
130.04086	1.4
131.04947	0.3
132.02052	4.1
133.02829	1.6
135.04372	2.5
136.05206	1.7
136.07529	0.3
138.03075	1.0
142.02600	0.5
145.02815	3.3
146.03555	1.1
147.04382	66.9
148.04807	1.4
149.02301	4.5
149.05997	0.3
150.03078	0.9
153.05458	0.3
154.08629	0.2
157.03946	5.5
162.03053	1.0
162.21164	0.3
163.03827	0.5
164.04639	3.5
171.06509	2.9
174.03113	1.0
175.03864	84.9
176.04237	3.1
177.05443	1.9
178.02493	0.3
179.06985	7.6
181.04906	26.4
182.05267	1.4
183.02780	0.3
192.04143	1.4
206.05759	0.3
207.06485	100.0
208.06860	2.9
315.41196	0.3
428.10965	0.2
500.95660	0.3
519.86670	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	640.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00254	6.3
54.81144	5.8
55.05451	35.7
57.03375	67.1
57.07010	85.6
67.05424	73.8
69.06984	42.8
71.08547	50.4
79.05414	62.7
80.03104	4.6
81.06976	80.2
83.08533	23.6
85.10107	33.4
89.05943	8.6
91.05400	79.8
91.66655	4.7
93.06975	77.1
95.04916	6.8
95.08534	84.2
97.06454	7.8
99.08020	7.4
105.06986	92.5
107.08550	41.5
109.06551	6.2
109.10108	20.1
117.06972	49.3
119.08538	72.4
121.10094	9.6
123.08016	6.5
129.06985	26.5
131.08522	48.7
133.10094	20.6
135.11700	7.0
143.08575	24.5
144.42154	6.0
145.10089	47.6
147.11699	23.3
149.09613	5.6
157.10117	22.6
159.11639	48.2
160.11964	5.4
161.13292	8.1
169.10007	6.2
171.11650	5.6
173.13255	9.7
185.13191	42.3
203.14305	23.4
219.17448	7.1
239.17850	6.0
257.19031	40.7
275.19989	42.8
297.16699	5.6
313.27252	100.0
317.88855	6.9
349.23523	45.8
438.67523	5.6
508.58939	5.4
530.46826	6.7
587.46808	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24987	0.1
55.01803	0.2
55.05418	0.1
56.04964	0.1
56.87466	0.1
57.03368	0.1
57.04513	0.1
60.04455	0.2
65.03847	0.1
67.05400	0.2
69.03329	0.1
70.06509	1.8
71.04884	0.1
72.08073	0.1
79.05403	0.5
81.03330	0.2
81.06973	0.1
84.04419	0.2
84.08073	0.7
85.02820	0.5
86.09632	0.8
91.05422	0.9
95.08524	0.1
96.08973	0.1
97.02822	0.2
101.42938	0.1
105.06951	0.2
107.04868	0.2
107.08516	0.2
109.02825	0.1
109.06454	0.1
109.10100	0.5
110.07104	0.4
119.04923	0.8
119.08483	0.2
121.02789	0.2
127.03872	0.5
128.06139	0.4
129.06924	0.6
129.10146	0.1
131.04897	0.1
133.02829	0.2
133.10069	0.2
136.07527	0.5
137.02313	6.2
137.09558	0.7
143.08545	0.4
145.02811	1.1
147.08046	0.2
149.02318	0.4
153.06958	1.0
155.05951	0.1
157.06483	0.9
159.09145	0.4
161.09604	0.9
165.07016	0.1
165.09029	0.7
171.07990	0.9
181.06444	1.8
184.07321	0.4
185.05936	0.2
199.07507	10.0
200.07813	0.4
207.10130	0.2
209.05916	0.4
211.07423	0.1
211.37158	0.1
227.06973	4.8
233.12762	0.1
237.05386	1.7
255.06462	100.0
256.06799	3.9
256.09326	0.2
265.67969	0.1
623.21808	0.1
641.21698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	1.4
54.31628	1.1
55.05443	7.8
57.07012	60.1
60.23918	1.1
67.05418	2.7
69.06993	7.3
71.08544	38.7
73.06464	8.0
77.76695	1.1
79.05407	1.9
81.06961	2.7
83.08535	8.5
85.10102	23.6
87.04358	8.8
89.05954	100.0
91.05397	1.5
92.05066	1.2
97.10109	2.7
99.11666	1.7
107.07015	7.8
107.08604	1.1
117.09103	3.1
133.08568	31.9
177.11200	15.6
239.14900	1.7
299.29330	8.9
327.20114	1.8
343.31857	4.6
415.25189	5.3
514.10510	1.3
531.39868	2.9
625.48438	15.6
642.51282	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	643.3086
Annotation	Bonaspectin E
Peak:m/z	Relative Intensity
65.21471	3.6
67.05418	4.2
81.06969	5.4
82.55143	4.1
86.09639	5.6
94.24369	4.6
102.52470	4.5
104.57879	4.5
184.07227	6.8
263.41931	4.4
496.58722	5.4
553.83521	4.6
581.73279	4.4
643.30792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42475	0.9
58.06533	4.6
60.08100	12.1
63.32428	1.0
84.08073	8.5
85.06458	1.3
88.08656	0.9
108.48743	1.0
110.09668	1.5
110.77788	1.1
111.19196	0.9
112.07561	1.3
112.11206	1.8
121.73912	1.0
138.09148	4.3
156.10165	2.0
160.07877	0.9
169.11790	1.0
171.29471	1.1
184.09633	7.5
197.16432	2.2
199.14409	5.3
215.17520	4.4
239.37564	0.9
243.16994	100.0
244.17400	1.5
290.09799	1.2
302.24329	27.1
645.19965	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38726	1.4
57.07014	21.6
60.27254	1.4
62.33562	1.4
67.05420	1.7
79.78920	1.6
81.07002	1.8
85.14244	1.4
86.49323	1.5
89.05957	13.9
93.07020	2.1
97.12376	1.6
105.06940	2.4
106.39161	1.6
107.08562	2.0
119.08554	2.5
121.06458	18.1
121.10027	1.7
125.51425	1.9
133.08537	2.5
147.65787	1.7
175.06044	1.7
177.11349	2.0
177.12749	10.4
183.08031	4.1
184.08768	2.2
194.07176	1.8
195.07997	3.4
197.09506	2.3
209.09589	2.5
211.07504	8.2
212.08330	7.0
225.09091	10.7
227.10631	2.2
237.09004	2.4
240.07774	11.2
241.08517	1.8
243.10112	100.0
255.10130	59.0
257.11652	3.3
281.11465	2.3
299.16364	34.7
311.16330	19.3
331.13297	2.2
363.15887	8.2
380.66028	2.4
419.21918	6.7
424.24860	2.0
468.31049	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	645.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04977	1.4
56.96495	6.1
58.78858	0.9
65.69881	0.8
69.03360	1.0
70.06505	19.5
71.49954	0.9
72.08075	1.9
76.30149	0.9
76.68153	0.9
77.50260	0.8
79.33036	0.8
84.04430	10.5
84.08066	9.5
84.95954	1.0
86.09650	1.2
86.71442	0.9
91.05405	1.8
96.99834	1.3
98.97512	17.4
110.07137	4.3
116.98569	18.3
120.08038	1.5
128.98575	1.5
129.10231	4.1
134.99632	12.7
143.00139	1.9
145.02812	1.3
146.99643	4.0
149.01207	1.5
153.00668	1.5
153.53334	0.9
158.99664	3.6
161.01187	9.7
170.99585	1.0
174.99034	1.1
177.00653	6.8
179.02283	2.0
181.04825	1.0
189.00706	5.0
195.01764	2.1
197.18605	1.0
201.00725	7.1
201.04404	1.5
207.01952	1.2
219.01752	10.3
237.02838	5.3
241.07480	1.4
249.02695	9.2
265.11148	2.2
267.03949	5.3
283.12262	5.3
291.03796	15.0
301.13092	1.4
305.05347	1.3
307.12039	4.6
325.13266	2.3
333.04807	1.4
445.17413	1.6
559.20337	11.6
601.22247	12.2
645.21429	100.0
646.21875	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	645.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09701	8.2
79.70290	9.5
87.46324	9.3
92.10845	10.6
96.08062	18.2
97.43311	7.8
108.08052	16.1
110.09639	21.6
120.08082	20.3
136.07558	39.3
138.09114	35.1
144.42230	9.4
148.07533	34.6
152.07112	31.5
153.93272	8.8
166.08626	54.8
172.03896	20.3
190.04926	17.5
204.06554	16.8
225.10172	13.9
238.10902	9.6
239.11617	9.2
249.10112	12.5
251.11778	34.2
263.11685	19.8
265.09790	9.4
266.10477	17.7
267.11221	40.6
269.12775	16.3
279.11115	41.6
281.12592	14.4
283.10870	14.5
284.11508	13.7
285.12302	61.2
293.12793	22.9
297.12317	92.7
309.12277	51.0
319.10632	11.7
321.12225	11.9
323.10471	10.9
325.11716	16.0
327.13461	10.5
337.11807	58.3
356.82565	10.5
446.21143	11.0
448.18353	11.8
449.19333	37.3
460.18839	19.2
490.19427	70.3
522.22321	12.1
595.24432	14.1
613.26544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48647	1.7
57.06992	3.0
62.17098	1.8
64.81059	1.9
71.08530	2.3
81.06997	2.6
89.05946	7.9
97.05952	1.9
120.27208	1.8
133.08557	2.7
149.40874	1.8
163.58899	2.1
184.21051	1.8
219.63383	2.0
241.65057	1.8
333.20361	8.3
645.47516	100.0
646.47498	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81898	0.2
56.04980	0.6
57.07008	0.6
58.06538	0.3
60.08099	9.6
67.05439	0.7
69.06960	0.2
71.07288	4.4
81.06985	0.3
85.42010	0.1
86.09634	49.0
87.09949	0.3
92.10246	0.3
95.08545	0.2
98.98400	4.6
104.10690	2.7
117.46684	0.2
124.99971	36.1
143.01024	1.0
181.45293	0.1
184.07321	100.0
185.07655	0.9
193.18550	0.1
202.20322	0.1
238.59779	0.1
292.26303	0.2
610.25732	0.2
646.44415	4.1
666.57788	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	647.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00250	0.2
53.03885	0.9
55.01822	0.2
55.05446	2.9
56.04964	0.3
56.96515	0.2
57.03348	0.3
62.34936	0.2
69.03333	2.5
69.06966	0.3
70.06502	2.6
71.04876	0.9
72.08066	1.5
73.02816	0.3
79.05397	0.3
81.03329	3.5
83.04899	4.0
84.04424	0.5
84.08054	1.6
85.02827	6.1
86.09615	1.0
91.05400	0.3
94.06516	0.3
97.02819	44.1
98.03169	0.4
99.04374	4.6
101.38990	0.2
102.05464	0.3
103.03867	4.5
103.29547	0.2
107.04906	0.2
109.02812	2.9
109.10098	0.4
112.64545	0.2
119.08477	0.3
120.08066	0.3
122.05976	0.4
127.03871	100.0
128.04218	1.5
129.10210	1.0
136.07521	0.3
140.07004	0.3
144.74025	0.3
145.04912	2.3
146.06020	0.5
151.03835	0.3
163.05975	0.4
172.03860	0.3
187.05960	0.3
197.08127	0.9
198.09117	0.6
204.06485	0.5
209.46211	0.2
215.09056	0.4
227.11661	0.4
241.07086	0.3
243.11261	2.8
255.11269	1.1
257.12814	0.3
271.08078	0.5
281.44629	0.2
285.12271	1.8
289.09213	0.3
303.13318	1.4
307.10281	0.4
412.67599	0.3
433.13336	3.5
441.35559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	0.8
53.55632	0.5
55.05459	0.9
56.04972	3.0
60.04448	1.0
64.68404	0.5
67.05423	2.7
69.03334	0.8
69.06984	2.8
70.06504	14.1
72.08069	4.5
77.24120	0.5
81.03340	2.4
81.04494	0.5
83.06013	2.4
84.04428	10.1
84.08070	16.8
85.02835	2.3
86.09628	2.7
91.05408	1.4
93.04434	0.8
93.06982	1.1
94.06509	4.8
95.04883	1.0
95.08558	0.8
97.02831	1.1
97.06463	0.5
101.07069	0.6
102.05475	2.5
105.92476	0.5
107.08504	0.8
109.02807	0.8
109.10103	1.4
110.06044	0.7
110.07109	8.8
112.07541	0.7
112.08663	0.7
115.08564	0.6
116.04964	0.9
118.06557	0.7
118.38262	0.7
119.04930	0.7
119.08533	0.8
120.08042	2.3
121.06367	0.6
122.05975	12.6
127.03899	1.4
127.50156	0.5
129.10199	6.6
136.07526	4.9
140.07033	9.2
144.04434	2.6
146.05988	14.3
148.07562	0.9
150.05531	0.6
155.07231	0.9
162.05492	2.2
165.43901	0.6
170.09648	3.6
172.03906	16.2
172.07553	0.7
172.11185	1.3
174.05440	2.5
174.09183	0.7
175.08601	0.9
184.11288	0.7
187.12253	4.3
188.07005	0.7
191.05663	0.7
198.09128	28.7
200.09261	1.3
200.10948	0.8
204.06514	21.9
206.08127	8.3
212.10721	6.4
215.11781	23.2
226.08618	7.5
227.07979	0.8
227.11775	1.1
228.08878	0.8
229.13298	0.7
231.11176	1.0
237.02751	1.0
240.10254	1.3
241.09669	1.1
241.13292	0.8
242.10399	0.9
243.11243	100.0
244.11600	3.0
249.10272	0.7
255.06537	0.9
255.11200	8.5
257.12726	5.5
263.11606	0.7
265.09695	0.9
278.64017	0.6
279.03967	0.7
279.11313	0.9
285.12289	74.9
286.12622	2.9
301.11899	4.9
303.13336	52.5
304.13562	1.3
313.11722	1.0
345.14441	3.1
474.16534	1.1
597.23010	1.0
615.24536	5.5
647.26459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.3
55.01818	0.4
55.05458	0.4
56.04977	0.3
56.09778	0.2
59.78552	0.2
65.56911	0.3
67.05418	0.6
68.04957	0.3
69.03347	1.1
69.06972	1.8
70.06504	2.4
72.08060	1.1
74.11758	0.3
75.35941	0.3
79.05397	0.4
81.03310	0.3
81.06960	0.5
82.06452	0.3
84.04411	1.3
84.08069	3.1
85.02851	0.3
86.09624	0.7
91.05407	0.4
93.05766	0.3
93.06950	0.3
94.06484	2.8
95.04893	1.1
96.16107	0.3
97.02816	1.8
97.06454	0.3
108.04404	0.5
110.05981	0.6
110.07103	1.2
112.07549	0.4
114.06148	0.3
118.06483	0.4
120.04425	0.5
120.08044	1.5
122.05985	11.4
129.06825	0.3
129.10197	1.3
136.07564	3.4
140.07045	8.4
141.01817	0.4
144.04413	2.0
146.06003	8.2
148.07635	0.5
150.05490	1.4
155.08524	0.5
160.07605	0.6
161.53004	0.3
162.05449	1.7
170.09636	4.4
172.03902	12.0
172.07520	1.2
172.11169	1.1
174.05475	3.9
174.09013	0.5
175.08636	1.1
184.07506	0.4
184.11234	0.5
186.09215	0.6
187.12294	5.0
188.10756	0.4
189.04573	0.3
190.04828	0.3
191.05663	0.6
192.06570	0.6
198.09125	25.9
199.08560	0.4
200.09137	2.9
200.10786	1.6
201.13872	0.3
202.17682	0.3
204.06531	14.7
206.08063	5.4
210.09268	0.3
211.08687	0.6
212.10773	4.7
213.10124	0.7
215.11769	23.1
216.10199	0.4
221.10706	0.3
225.10170	1.0
226.08597	9.1
226.10735	0.6
227.08086	0.7
227.11772	2.0
228.08911	1.3
228.59044	0.4
229.09653	0.5
229.13329	1.2
231.11359	0.4
235.08646	0.7
237.10309	0.7
239.11810	0.6
240.10417	2.6
241.09634	1.2
241.13297	1.6
242.10464	1.4
243.11243	100.0
244.11588	3.9
247.08490	0.3
248.09477	0.4
249.10156	4.8
250.10991	0.7
251.11769	1.8
255.06438	2.0
255.11208	7.1
256.12042	0.5
257.12814	4.9
261.10025	0.5
263.08130	0.5
263.11777	1.3
265.09723	0.6
267.11255	0.7
277.09671	1.9
279.11316	1.5
283.10721	0.4
284.12131	0.4
285.12286	65.8
286.12564	2.0
295.10751	0.4
301.11749	4.5
303.13342	43.4
304.13773	2.0
309.12283	1.4
313.11945	1.8
323.10132	1.8
323.13934	1.8
324.14877	0.4
326.13083	0.4
327.13705	0.6
328.10733	0.4
328.14365	1.3
331.12747	0.6
338.16510	0.6
339.17142	1.2
340.14313	0.3
340.83231	0.3
341.11517	2.6
341.15112	0.4
342.12222	1.6
342.16049	1.1
343.13004	0.5
345.14325	2.2
347.15665	0.5
352.14185	0.5
354.12234	1.4
355.13010	2.4
356.13901	5.6
357.14417	0.4
358.15430	0.4
363.15277	0.4
366.16019	0.5
367.16687	1.4
368.13904	2.0
369.14667	2.4
370.15381	2.7
372.17212	0.4
375.84335	0.3
380.13818	1.9
381.10663	0.4
382.11691	1.1
382.15952	0.8
383.12354	0.5
384.13107	1.3
384.17310	2.2
386.14755	0.5
396.13336	1.6
398.14346	2.7
398.18845	1.6
401.13504	3.5
410.14908	1.2
412.16437	2.0
414.14200	3.6
415.15125	0.7
416.16122	1.6
417.16248	0.6
428.15765	0.5
429.16629	2.0
430.17584	2.1
438.14432	1.8
440.15985	0.4
444.19315	2.4
446.16824	0.4
456.15518	3.4
457.16162	4.0
458.16913	3.4
474.16312	4.1
488.18341	2.5
489.18866	13.3
490.19553	6.3
505.18369	0.4
506.19086	1.8
507.19510	1.1
571.25031	0.7
579.22119	0.5
597.23114	4.8
598.23358	0.3
611.24799	0.5
615.24261	4.2
616.24414	0.4
629.26050	8.0
630.26459	0.6
647.26166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68786	0.7
52.65529	0.7
67.05415	1.2
70.06504	1.2
73.02819	0.9
79.05372	1.0
80.27856	0.8
81.03288	0.9
81.06952	1.4
84.08058	1.3
84.98855	0.9
85.02828	1.2
86.09613	0.9
88.12294	0.7
93.60715	0.8
94.06527	0.9
97.02818	1.7
105.06898	1.0
106.06492	1.8
108.08060	5.5
109.02798	3.4
115.86182	1.0
120.04419	1.4
120.08064	1.8
121.08828	1.2
122.05977	5.6
122.09607	2.0
124.07566	19.0
134.06012	3.5
134.09558	1.0
136.07567	18.5
138.09077	1.7
144.04424	1.3
144.74409	0.8
146.05995	7.1
148.07555	10.8
150.09119	7.3
152.07039	28.6
160.07581	1.2
164.07034	14.3
166.08589	18.0
172.03911	11.0
174.05455	1.9
174.09140	2.0
176.07031	16.9
178.17676	0.9
183.09074	1.0
184.07243	1.3
188.10680	1.7
190.04985	4.2
191.05757	1.5
192.02966	0.9
197.10712	1.3
198.11641	1.0
199.12221	1.0
204.06525	13.5
208.09688	1.1
209.10678	1.3
210.11568	3.1
211.12254	4.9
213.10080	1.2
221.10762	1.0
223.12253	1.7
224.09354	1.2
225.10165	9.5
225.13802	1.3
226.10590	1.2
227.11710	7.2
235.08659	1.2
235.12103	1.6
236.09290	1.0
236.12926	2.6
237.10176	12.0
238.10930	11.0
239.11726	20.5
240.12291	1.0
241.09535	1.4
241.13266	1.8
243.11470	0.9
245.12708	1.4
246.07605	1.3
249.10133	5.6
250.10960	4.8
251.07857	1.1
251.11726	15.3
252.08887	1.1
252.12483	4.2
253.09610	4.3
253.13322	3.7
255.11185	2.1
263.11728	12.2
264.08682	2.1
264.12387	4.1
265.09659	11.8
265.13275	26.3
266.10385	4.8
266.13788	1.5
267.08408	1.5
267.11209	15.6
268.11765	1.8
269.09363	0.8
269.09854	1.0
269.12848	12.6
270.13336	1.4
271.11609	0.9
271.14355	7.7
277.09549	1.6
277.13278	3.5
278.10510	3.7
279.11221	100.0
280.11871	13.3
281.09674	0.9
281.12784	8.2
283.10684	6.2
283.13980	1.6
284.11447	3.7
285.12192	4.1
287.13837	4.4
289.15414	1.5
291.11169	2.0
292.11691	1.2
293.12875	8.6
294.09824	1.0
294.13287	1.7
295.10681	11.3
295.14114	2.6
296.11429	5.1
297.12286	63.5
298.12939	13.9
299.13699	4.0
309.12250	35.7
310.12943	16.2
311.13828	6.1
315.13242	1.6
319.10391	1.4
321.12289	10.8
322.13019	2.0
323.10440	1.1
323.13718	1.3
324.10837	4.4
325.11765	5.7
326.12125	1.0
327.13525	8.1
329.14841	4.1
331.16653	1.4
333.14664	1.2
337.11771	22.0
338.12460	15.8
339.13324	64.7
340.13812	6.5
341.14944	1.5
346.15329	1.3
359.16086	6.2
360.16968	1.8
361.17599	4.0
362.18301	1.1
367.12799	4.9
368.13745	1.5
369.14551	6.8
370.14966	1.9
371.15955	27.0
372.16647	1.6
374.18805	1.3
388.16150	1.1
390.17935	1.1
392.15656	1.2
394.21393	1.4
399.15829	1.6
400.16437	7.6
401.17401	1.0
402.18091	3.2
404.19577	3.5
418.21475	1.3
420.18866	6.0
421.19577	3.9
422.20441	4.2
434.20914	6.7
442.17578	2.1
448.18573	1.1
450.20148	1.6
451.20810	6.0
452.21359	4.2
458.16684	1.4
460.18503	18.0
461.19006	1.3
462.20102	28.6
463.20728	4.5
464.21704	10.8
479.20111	1.2
492.21332	16.0
493.21939	1.7
494.22729	15.1
495.23230	4.1
506.19461	1.2
524.23785	14.8
525.24072	1.7
567.24982	1.4
583.25543	6.3
585.26959	80.9
586.27594	7.7
615.28180	11.4
616.28418	1.2
617.29510	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	0.9
53.03896	0.8
53.18610	0.5
55.01806	2.8
55.05452	36.5
56.05779	0.8
57.03365	0.8
57.07003	2.4
60.08095	0.7
65.03856	1.0
67.05428	40.9
69.03355	4.9
69.06992	13.3
71.08546	0.9
75.16889	0.5
76.02144	0.7
79.05404	19.0
81.06974	40.8
82.07302	0.9
83.04903	2.9
83.08543	24.9
86.09633	3.3
91.05397	7.6
93.06966	11.1
95.08533	23.1
97.06438	1.1
97.10098	38.6
98.10443	0.6
98.98391	0.8
99.08033	0.8
104.10728	1.1
105.06981	4.1
107.08544	14.4
109.10087	8.7
111.08022	1.1
118.73336	0.6
119.08530	2.6
121.10091	3.7
123.11649	3.2
124.99936	2.2
125.09589	29.3
133.10077	2.7
135.08023	2.4
135.11681	1.4
137.13239	0.6
143.10669	2.4
147.11674	0.9
153.09071	2.9
161.13248	0.9
184.07321	3.9
189.11169	9.3
193.06369	0.7
196.13271	2.6
210.56279	0.8
225.93025	0.6
227.12738	6.5
245.13802	1.4
306.27838	2.6
336.70151	0.7
337.27277	0.9
507.36734	100.0
508.37054	8.3
636.71240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64575	0.5
53.00234	0.6
53.03880	2.2
55.01805	3.3
55.05450	33.7
57.03368	0.7
57.07008	1.3
60.08087	0.7
65.03863	1.1
67.05426	38.2
69.03339	3.2
69.06988	13.7
71.00718	0.5
74.38091	0.5
79.05410	14.6
80.49973	0.5
81.06973	35.9
83.04897	2.4
83.08540	20.1
85.06462	1.0
86.09637	4.6
91.05399	7.0
93.06972	11.8
95.08530	22.7
97.06447	1.3
97.10098	38.1
98.05983	0.8
98.98392	1.1
101.09635	0.6
105.06987	3.5
107.08535	15.1
107.09211	1.0
108.61848	0.6
109.10106	7.9
111.08019	2.6
119.08511	2.5
121.10096	3.2
123.11653	3.7
124.11177	0.8
124.99973	3.3
125.09584	29.3
126.00195	0.6
128.28850	0.7
133.10117	3.9
135.07996	3.2
135.11662	2.1
137.13142	0.6
143.10658	1.0
147.11696	1.3
153.09093	3.6
154.95583	0.6
161.13274	0.5
180.80145	0.5
184.07312	6.9
185.07596	0.6
189.11185	11.6
196.13275	7.6
197.56834	0.7
214.14366	3.9
227.12679	5.3
245.13866	2.2
263.23590	1.0
306.27786	0.9
322.69061	0.6
337.27444	0.7
507.36713	100.0
508.36810	6.4
571.80896	0.7
586.65796	0.6
636.59131	0.7
647.33948	1.2
648.34265	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	648.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82029	5.0
55.05455	34.4
55.88466	3.5
57.03347	8.5
57.07013	6.6
59.08539	4.0
59.94761	3.6
63.36449	3.8
67.05090	4.9
67.05430	100.0
69.06982	27.9
73.84676	4.1
76.88670	4.4
79.05412	65.8
81.06976	84.1
83.08536	19.1
91.05402	59.0
93.06973	91.3
95.04891	10.6
95.08530	55.4
102.54746	5.2
105.06968	50.9
107.08562	33.4
109.10098	20.6
109.16177	4.5
117.06914	9.9
119.08538	41.5
121.10088	22.8
123.11666	5.8
129.06976	6.1
131.08498	23.5
133.10101	11.6
135.11714	5.5
145.10095	18.5
147.00804	4.8
147.11673	8.9
159.11674	7.5
161.13217	6.6
175.14670	5.5
191.04796	5.1
204.20416	4.8
228.95367	5.3
259.20551	8.5
261.21997	5.1
333.24051	11.4
335.25891	18.2
337.27396	20.8
536.16193	4.9
567.64380	6.7
613.47736	26.5
648.48804	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	649.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81103	1.0
57.29399	1.0
63.13558	1.0
65.08833	1.0
67.05420	4.5
68.14822	1.3
69.06982	6.9
70.06498	1.4
77.00304	1.2
78.13428	1.0
84.08031	1.8
86.09590	1.2
91.05396	1.4
93.06969	1.2
94.06500	13.0
95.04869	1.3
102.68113	1.1
108.08060	4.1
110.05961	2.0
118.06496	1.7
118.67833	1.1
122.05973	31.6
124.07543	6.5
128.21834	1.2
132.78818	1.2
134.06027	1.4
136.07553	5.8
138.05513	1.2
140.07034	33.7
144.04425	4.8
146.06006	17.9
148.07541	6.2
152.07043	2.6
162.05469	4.4
162.09119	2.8
164.06995	4.6
166.08606	1.6
172.03894	25.5
173.04701	2.3
174.05473	20.7
176.07001	11.8
180.10269	1.5
190.04973	4.3
190.08551	1.2
191.05759	5.2
192.06526	1.5
197.10680	1.8
199.08641	1.4
199.12270	1.7
204.06526	41.2
206.08115	9.5
208.09604	8.0
211.08710	1.9
212.09398	1.9
213.10254	1.2
223.08707	1.9
225.10242	8.8
227.11749	14.5
237.10085	4.5
238.10968	4.7
239.11751	14.0
241.09633	2.1
243.11154	4.7
249.10178	2.0
250.10878	1.5
251.08220	1.4
251.11728	8.4
253.09650	2.2
253.13232	2.1
263.08182	1.9
263.11746	9.5
265.09695	5.3
265.13257	5.7
267.11255	4.3
269.09256	1.5
269.12775	11.1
271.10687	5.3
277.09723	1.6
279.11172	25.9
280.11728	4.8
281.12915	2.0
283.10681	13.5
284.11481	7.1
285.12283	7.8
287.10214	10.7
287.13815	22.8
291.11084	5.6
295.10641	2.7
296.11624	1.5
297.09158	2.0
297.12152	15.2
298.12949	5.6
300.11539	1.4
301.12070	5.8
303.13165	1.7
309.12393	8.8
310.12909	4.9
312.90997	1.4
313.11752	23.1
314.12790	1.9
315.13733	1.4
316.14362	6.8
321.12183	2.5
323.13882	2.2
327.13831	1.7
329.11423	2.4
329.15158	2.0
330.12332	1.8
330.15921	7.7
331.12817	7.9
331.16711	7.7
336.11038	1.5
337.11743	10.3
338.12457	2.0
339.13480	11.4
340.13947	4.7
342.12354	6.4
343.13165	7.8
344.13788	2.2
344.17557	5.7
345.14484	17.1
354.15866	1.6
356.13635	6.0
357.14841	2.1
358.15335	9.1
367.12878	2.1
368.13605	4.3
369.14172	4.1
370.15302	4.7
371.16183	4.7
372.16885	4.6
382.11627	1.8
384.13263	16.7
385.13885	6.9
386.14609	6.6
386.18939	3.7
390.18030	6.4
398.14905	15.6
399.15756	22.8
400.11783	1.9
400.16519	37.9
401.16580	1.2
402.14362	1.6
412.16690	1.7
414.17883	6.7
416.15863	2.0
417.16595	6.8
418.17435	7.7
430.17337	2.2
431.18143	2.1
440.15878	5.2
441.17090	1.8
444.15027	2.7
458.16965	23.3
459.17899	13.7
460.18503	10.3
476.18271	2.4
480.20914	2.5
490.19562	2.3
492.20856	1.6
494.19073	5.1
526.21655	10.3
557.23529	1.3
581.23895	4.8
599.24884	100.0
600.24585	8.2
617.25623	8.3
631.27240	6.6
649.28302	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	0.8
54.81583	0.7
55.05456	0.7
62.35451	0.8
68.04964	1.3
68.91685	0.8
79.05417	1.7
84.04477	1.3
85.02800	0.9
89.19101	0.8
92.10934	2.6
94.06487	1.7
96.08052	4.9
106.06488	0.9
110.05943	0.9
118.06481	1.5
120.08056	1.4
121.05212	1.5
122.05978	7.5
124.07550	75.6
128.04262	0.8
134.05994	1.8
136.07565	1.0
144.04425	4.5
146.05983	18.2
148.07547	4.4
152.07045	1.6
160.07526	1.9
162.05484	5.3
163.06317	0.8
166.08574	1.6
172.03897	28.6
173.04666	4.9
174.05466	21.1
176.07039	14.5
185.51994	0.9
187.12256	1.4
188.07063	1.6
190.05022	3.6
191.05708	8.9
192.06516	2.0
197.07135	1.1
198.09300	1.3
199.08553	2.8
200.09419	1.4
203.11746	1.0
204.06520	38.2
205.06918	1.0
206.08060	8.5
210.48921	0.8
211.12413	0.9
212.09189	1.0
213.10181	5.3
215.11812	8.8
219.98257	0.8
223.12236	1.3
224.09402	1.1
225.10240	5.6
226.08597	1.5
226.10690	1.3
227.11880	1.2
236.09322	1.3
237.10110	3.3
238.10863	4.0
239.11655	3.8
240.08963	1.0
241.09634	5.0
243.11200	25.5
243.13535	1.4
249.10062	3.4
250.10880	1.8
251.11670	4.8
253.10057	0.9
253.13261	1.3
254.10442	1.6
255.11142	1.6
256.12024	1.7
257.12701	0.9
259.10678	3.9
260.11130	1.9
263.08139	1.4
263.11731	1.4
265.09595	5.9
265.13065	1.1
266.10236	0.9
267.11273	1.9
269.09326	3.2
269.12814	12.9
270.09879	1.0
271.10736	1.6
271.14255	1.5
277.09702	2.0
279.11279	7.8
283.10620	8.2
285.12280	19.2
287.10190	5.5
288.10974	1.0
291.11060	1.2
295.10745	1.0
297.12286	24.4
298.12918	1.8
299.10114	4.0
301.11816	4.9
302.12497	4.2
303.13342	51.2
304.14102	4.6
305.15079	1.6
309.12146	1.8
310.12579	0.9
311.13849	1.7
313.11838	1.3
315.13422	10.2
316.10886	1.5
316.14404	3.2
316.32449	0.9
317.15274	1.0
318.15988	5.5
319.16757	1.8
323.10141	1.8
324.10757	1.2
325.11743	1.8
328.14322	1.4
329.15076	10.5
330.12274	5.5
330.15942	1.3
331.13095	2.0
332.13895	1.8
332.17575	1.7
337.11752	3.5
342.12268	1.1
342.16113	1.4
343.13510	3.3
344.14008	4.5
345.14743	3.2
346.15323	6.2
347.16122	5.3
354.12323	1.3
355.13132	3.6
356.13843	1.8
357.14835	1.3
358.11438	2.8
358.15396	5.5
359.12326	1.5
359.16214	1.3
360.17068	7.9
368.13791	1.5
370.11591	1.5
370.15738	1.3
371.12592	3.1
372.13202	8.7
372.17456	1.0
373.14066	5.3
374.14841	7.1
374.18903	1.0
376.16660	1.0
378.18201	1.2
383.12381	1.1
384.17105	1.5
385.14127	1.8
386.14850	13.6
387.15680	14.4
388.16626	9.3
396.13290	1.1
398.15076	1.1
400.16608	1.8
402.14093	3.5
402.18484	1.8
404.16046	4.7
405.16476	1.4
406.17575	6.6
407.18387	1.5
414.14420	8.1
415.15192	24.1
416.15936	27.7
417.16226	3.5
418.17389	3.4
428.15945	4.2
429.16556	1.3
430.17651	7.9
431.18024	1.1
432.15250	3.4
433.16028	4.9
434.16241	6.3
446.17032	7.9
447.17734	3.7
456.15729	5.8
457.15793	3.3
458.17105	3.4
474.16556	25.0
475.17133	16.7
476.17926	7.6
478.19717	1.0
490.19293	1.3
506.18869	3.7
507.19464	1.5
557.23474	1.3
581.23889	6.5
599.24908	100.0
600.25067	10.2
631.27179	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	0.2
57.07011	6.0
58.06519	0.2
59.47512	0.1
62.05997	0.4
63.35052	0.1
65.27833	0.1
69.06999	0.2
70.06508	9.1
71.08179	0.1
71.08543	2.5
85.10114	1.1
85.10552	0.1
88.07551	14.7
95.08483	0.1
102.08485	0.2
102.09115	3.9
106.08610	8.1
121.13093	0.1
126.20488	0.1
130.45882	0.1
212.23688	0.6
230.24730	0.8
256.26285	6.1
257.26627	0.1
274.27341	100.0
275.27667	3.8
327.40567	0.1
331.07169	0.1
359.97293	0.1
374.87775	0.1
576.34070	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	650.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43993	0.5
55.05450	0.9
60.06828	0.5
60.14720	0.5
60.42504	0.4
63.13504	0.5
67.05419	1.2
69.06985	3.6
70.06522	2.4
72.08062	0.6
76.02118	0.5
79.05418	0.8
81.03333	0.8
81.06962	1.1
82.03722	0.5
84.04419	1.3
84.08055	1.4
85.02827	0.7
93.06989	0.8
94.05984	0.6
94.06465	4.0
95.04897	1.3
95.08553	0.7
97.02823	0.6
106.06513	0.8
108.08044	1.4
110.07133	0.7
120.08076	1.0
122.05162	1.0
122.05985	13.0
124.07576	1.3
126.87556	0.6
129.10158	1.2
134.05986	1.4
136.07562	15.3
140.07030	14.8
146.05998	8.7
146.09662	0.7
148.07536	7.0
152.07057	4.0
155.35724	0.6
158.02776	0.8
162.05466	1.0
164.07042	13.1
166.08604	8.6
172.03897	7.7
172.07410	0.6
174.05464	6.5
174.09071	0.7
176.07036	16.0
190.04955	4.3
192.06564	0.7
193.06346	0.8
204.06557	8.4
206.08141	2.7
208.09688	2.2
209.10588	1.0
210.11484	1.0
211.12192	0.9
221.10707	0.7
224.09410	0.9
224.13141	0.8
225.10207	3.5
227.11922	0.8
235.08633	1.1
235.12230	2.6
236.09415	0.6
236.12943	1.3
237.10098	8.3
237.13884	2.8
238.10933	10.7
239.11765	11.8
241.09546	0.6
247.12172	0.8
248.09335	1.3
249.10179	4.8
250.10953	3.9
251.08127	0.7
251.09096	0.8
251.11737	11.7
252.12497	2.5
253.13342	2.7
255.11169	0.9
261.12350	1.2
263.11749	14.3
264.08878	2.3
264.12411	4.2
265.09689	6.5
265.13309	27.3
265.16174	0.9
266.10403	1.2
266.13861	3.6
267.11218	4.3
268.11670	0.6
269.12717	2.8
270.13452	0.9
271.14371	5.3
275.11783	1.2
277.09616	4.7
277.13327	2.3
278.10410	3.1
279.11218	100.0
280.11783	12.0
281.12787	4.9
282.13269	0.6
283.10721	3.7
283.14172	0.9
285.12323	2.3
287.13834	5.4
289.15466	1.2
291.11340	7.7
292.11942	2.2
293.12851	8.7
294.13507	1.0
295.10696	8.5
295.14319	2.7
296.11450	3.3
297.12280	55.5
298.12958	9.5
299.13785	0.7
309.12296	45.4
310.12970	17.6
311.13708	5.8
313.11725	3.4
319.10806	5.8
320.11438	0.9
321.12247	8.8
322.13022	1.1
323.10126	1.1
323.13593	1.1
324.10965	3.6
325.11862	4.8
331.12811	2.7
337.08328	1.3
337.11765	58.5
338.12463	24.6
339.13327	66.8
340.13766	6.3
341.14569	0.8
369.14407	9.5
370.14920	2.7
371.15979	22.9
372.16074	2.0
374.06570	0.7
392.19571	0.8
400.16397	3.1
401.17285	0.7
402.17834	0.9
411.17282	0.7
418.17554	1.1
424.16895	0.6
438.20050	2.3
442.17352	2.7
450.20044	2.1
460.18637	22.9
461.18964	2.8
478.19647	15.3
479.19461	0.8
480.21130	3.0
496.20724	2.3
510.22226	19.1
511.22305	2.6
583.24896	0.8
600.24438	1.4
601.26465	61.6
602.26819	6.9
618.25928	0.7
619.26947	0.7
633.19714	0.7
633.29199	16.9
634.28973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36204	0.2
56.04967	0.3
57.12443	0.2
58.06538	0.2
60.08096	9.3
67.05407	1.0
71.07288	4.2
72.17184	0.2
75.68978	0.2
86.09628	46.5
87.09960	0.3
92.10892	0.6
98.98388	3.6
104.10678	3.4
108.36985	0.2
109.10108	0.3
124.99964	32.0
143.01042	0.3
184.07309	100.0
185.07626	1.2
538.36438	0.3
650.43805	11.1
651.44104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04845	0.1
54.81935	0.1
55.05434	0.2
56.04961	0.8
57.06989	0.2
58.06530	0.3
60.08094	9.6
63.08319	0.1
67.05407	1.1
71.07288	4.3
71.08533	0.3
81.06918	0.2
82.95834	0.1
83.71588	0.2
84.54849	0.2
86.09624	51.5
87.09949	1.2
98.98387	4.1
104.10677	2.9
124.99960	35.5
129.87703	0.2
143.01010	0.7
149.59908	0.2
158.53642	0.2
184.07298	100.0
185.07590	1.4
256.49457	0.2
349.55481	0.2
506.96182	0.2
650.43835	10.1
651.43933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03075	1.9
53.03876	2.6
54.81278	2.2
55.05231	1.8
55.05454	32.1
57.03378	19.1
57.07009	4.8
66.33700	2.1
67.05080	4.1
67.05425	100.0
69.06989	28.9
79.05404	44.9
81.06973	91.2
82.07291	2.8
83.08537	15.9
91.05393	32.1
93.06972	70.8
95.04909	4.6
95.07962	3.4
95.08533	69.2
97.06439	2.3
97.10096	3.9
105.06950	20.4
107.08546	35.1
107.11505	2.2
109.06472	2.7
109.10092	28.6
109.64450	1.9
117.06947	10.6
119.08537	17.0
121.10106	19.1
123.06414	2.1
123.11620	8.3
131.08516	17.6
133.10075	11.7
135.11647	16.8
145.10115	11.7
147.11629	8.3
149.13237	10.2
159.11601	3.0
161.13205	3.3
163.14766	5.2
171.11568	2.8
173.13159	4.3
175.14700	3.7
179.17722	2.4
184.07332	2.9
187.14705	2.4
196.23579	2.6
243.21040	11.8
261.22006	13.8
335.25775	29.7
337.27298	32.5
484.78622	2.3
523.45306	3.4
597.48059	9.7
615.49622	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	651.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81425	0.5
56.96501	37.7
60.49961	0.4
69.55024	0.4
72.95937	0.6
74.97518	1.1
83.97539	0.7
85.32430	0.5
96.28967	0.5
117.05665	0.5
117.06975	0.4
118.06499	11.6
119.06802	3.0
130.06444	1.0
130.83014	0.5
132.08038	4.5
133.08437	0.6
137.12100	0.4
142.06476	2.3
143.07263	0.7
144.08099	7.9
145.08365	1.9
146.05991	35.3
147.06331	12.0
148.06689	0.6
156.01086	0.6
159.09111	3.1
160.09633	0.5
162.45572	0.5
162.97871	0.5
167.03732	1.0
168.33417	0.5
170.05916	2.5
171.06430	0.7
171.09686	0.5
174.02219	11.1
184.38313	0.6
188.03773	2.1
188.07028	39.9
189.07382	16.4
190.07617	2.9
192.03287	64.7
193.03661	0.7
202.65384	0.5
204.03261	0.9
205.09692	11.9
206.04863	16.7
206.10062	4.0
207.02022	2.6
208.02748	1.0
210.04347	23.6
215.04895	21.2
217.06464	18.7
218.01154	0.5
218.04826	0.6
220.02780	4.2
222.04366	5.6
224.05934	7.3
225.03011	1.0
226.03781	0.9
229.02852	0.5
231.04361	2.0
233.05933	27.1
234.04312	0.6
235.07510	27.7
235.09865	1.1
236.02261	2.1
236.07956	0.6
238.03824	4.4
239.03754	0.5
240.05363	3.2
243.04260	7.7
247.03870	3.9
249.05382	3.0
254.03566	0.6
261.05408	99.3
262.03381	0.6
262.05862	3.9
265.04852	0.7
268.04895	0.9
279.06464	99.4
280.06760	2.7
284.07025	4.7
291.06601	0.6
302.08142	1.9
316.06033	4.4
331.11218	0.9
334.07083	1.1
375.10007	0.6
386.11530	1.9
402.11102	4.3
404.12552	0.7
430.10687	8.9
439.03409	0.5
447.13306	100.0
448.13483	7.0
471.80536	0.6
503.08453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98177	0.6
54.81472	0.6
65.03848	0.8
65.30614	0.6
65.87542	0.7
67.05412	1.9
68.07030	0.7
69.03349	1.0
69.06979	5.1
70.06509	8.5
72.08050	0.7
73.44848	0.7
78.94116	0.8
79.05403	0.9
81.03331	1.1
81.06975	1.4
84.04432	4.2
84.08054	4.9
85.02816	3.8
86.09618	1.4
91.05382	1.5
93.06965	0.9
94.06483	7.2
95.04872	2.9
95.08501	1.4
97.02800	1.2
99.04372	1.0
102.05414	0.9
106.06507	7.9
107.08524	0.9
108.08067	2.9
109.10092	1.9
110.05999	11.7
116.07063	1.0
118.00304	0.7
120.08006	1.5
120.54255	0.7
121.10094	0.9
122.05981	23.1
122.06818	1.6
124.07537	8.7
127.03872	1.0
128.04234	0.9
129.10194	1.3
136.07556	19.6
137.09595	0.9
140.07028	30.4
141.01785	1.0
142.08618	1.8
146.05965	7.7
146.09630	1.5
148.07533	11.1
150.09166	0.9
152.07008	3.2
154.08609	4.0
162.05469	0.8
162.09116	0.9
164.07002	16.3
166.08592	71.4
167.08925	1.3
172.03914	9.6
174.05466	12.7
176.07048	13.1
177.05316	1.2
184.07216	0.9
190.04944	3.4
191.05721	1.8
192.06528	3.0
197.10680	1.1
204.06534	10.5
206.08145	0.8
210.11479	3.7
211.12256	3.3
216.10052	1.2
218.08078	1.6
221.10667	0.8
223.12289	2.8
225.10233	0.9
225.13780	1.7
235.08580	0.7
235.12276	3.7
236.13057	1.5
237.10152	11.0
237.13765	3.5
238.10960	8.3
239.11746	13.1
240.12253	1.1
243.11211	2.8
246.07539	4.0
247.12299	1.3
248.09354	3.1
249.10159	6.7
250.10922	7.2
251.11696	16.4
252.12320	1.6
253.13275	5.2
261.12274	3.1
262.10828	1.0
263.11719	26.7
264.08655	6.0
264.12488	7.6
265.09695	9.4
265.13278	45.0
266.10272	1.4
266.13846	4.7
267.11157	5.8
269.12753	3.9
270.13431	0.9
271.05966	1.5
271.14389	6.5
275.11636	1.5
277.09656	7.3
277.13135	1.5
278.10492	4.9
279.11169	100.0
280.11786	12.0
281.12827	6.9
282.13547	1.7
283.14270	1.1
284.11411	1.0
285.12268	3.4
289.15366	1.9
291.11169	10.7
292.11951	3.9
293.12772	10.9
294.13391	2.9
295.10666	11.8
295.14297	3.1
296.11404	1.3
296.15030	0.9
297.12268	52.9
298.12943	10.0
299.13721	1.7
305.14838	1.4
307.16345	8.1
309.12256	64.0
310.12994	25.4
311.13885	10.6
313.11673	4.7
316.00089	0.9
316.49777	0.8
319.10727	9.4
320.11215	1.2
321.12369	7.8
325.11658	1.8
331.12912	2.9
333.14426	1.0
337.11740	77.0
338.08310	1.1
338.12463	31.9
339.13293	53.7
340.13678	6.1
341.14905	1.1
369.14343	19.5
370.15009	5.1
371.15927	20.4
372.16342	1.2
385.13828	18.0
392.19531	1.3
410.20813	1.0
418.17398	4.4
420.18887	1.6
434.20096	1.2
450.20001	1.0
460.18417	2.8
466.19830	1.4
478.19608	45.1
479.20078	5.9
480.20691	1.5
496.20395	4.4
510.22235	26.9
511.22968	1.5
559.25110	1.8
601.26410	7.0
619.27460	76.6
620.27814	7.6
630.01678	0.9
651.30121	13.8
652.29889	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42766	0.7
56.04976	0.9
57.03383	1.1
67.05419	1.8
69.03360	1.1
69.06986	2.4
70.06501	10.3
72.08074	1.0
84.04440	1.8
84.08064	6.3
85.02811	1.9
86.09615	1.6
91.05433	1.1
92.10885	1.1
94.06500	4.3
95.04868	1.5
99.49659	0.9
106.06475	7.0
108.08028	1.6
108.28561	1.0
109.10152	1.0
110.05969	12.2
112.07561	1.2
120.08070	1.6
122.05978	17.7
124.07549	9.1
124.31963	1.1
129.10181	0.9
136.07558	21.6
140.07031	28.6
142.08641	2.1
146.05991	5.9
146.09645	1.3
148.07561	8.6
152.07047	4.3
154.08644	1.8
162.09097	1.3
164.07036	13.4
166.08594	67.0
172.03899	8.9
174.05467	13.8
176.07036	13.1
188.74641	1.3
189.02945	1.1
190.05034	2.2
191.05756	4.1
192.06584	2.1
204.06487	10.6
211.12251	1.9
223.12242	1.7
225.13885	1.9
235.12375	1.6
237.10202	7.9
237.13834	3.8
238.10835	10.6
239.11734	12.9
246.07645	4.5
248.09425	4.5
249.10182	7.1
250.10918	6.8
251.11713	17.6
252.12434	2.1
253.13272	4.7
255.11276	1.3
261.12326	1.9
262.10999	1.8
263.11716	27.0
264.08673	7.3
264.12405	5.2
265.09738	8.0
265.13300	40.3
266.10416	1.5
266.13928	4.1
267.11221	5.1
268.11993	0.9
269.12854	2.1
270.13632	1.2
271.14359	5.6
272.14920	1.0
275.11700	1.4
277.09668	7.0
278.10364	2.2
279.11194	100.0
280.11722	10.3
281.09830	1.1
281.12790	5.1
283.10690	2.3
283.14151	1.3
285.12268	2.0
289.15536	1.6
291.11139	9.5
292.11996	4.4
293.12845	9.3
294.13434	2.1
295.10748	11.0
295.14209	2.0
296.11581	2.2
297.12286	48.5
298.12839	9.5
299.13898	2.4
302.33493	1.0
307.16547	6.3
309.08694	2.0
309.12280	61.7
310.13028	28.5
311.13705	10.1
313.11670	7.7
319.10699	10.1
320.11111	1.5
321.12115	10.3
325.11862	1.1
331.12662	1.8
337.11743	80.3
338.12482	31.0
339.13297	51.7
340.13889	5.3
369.14337	19.3
370.14978	7.8
371.15921	23.9
372.16052	1.3
385.13879	15.6
418.17319	2.1
450.19794	1.5
451.09125	1.3
460.18478	5.0
478.19647	41.9
479.20029	6.3
480.21622	1.3
496.20502	4.5
510.22296	26.1
511.22736	1.6
601.26318	6.5
619.27448	84.1
620.27692	6.4
651.30005	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	651.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00465	0.4
54.82052	0.3
56.04938	0.4
70.06510	2.6
73.18478	0.3
74.05961	0.3
78.26164	0.3
84.04378	1.6
84.08070	2.6
86.92908	0.3
91.05358	0.4
94.06460	0.6
100.26418	0.4
106.06457	0.8
108.08007	0.8
110.07101	1.4
120.08031	0.7
122.05929	1.3
124.07549	8.4
129.10153	0.6
134.05925	0.5
136.07564	13.5
140.07010	0.6
146.05998	4.0
146.09576	1.5
148.07489	1.8
152.07001	1.5
154.04961	0.7
162.05449	1.6
162.09074	1.5
164.05728	0.6
164.07034	17.2
166.08607	8.8
172.03911	3.3
174.05405	1.5
176.07033	2.6
190.04997	0.6
192.06544	0.7
204.06528	6.1
206.08075	2.5
208.09589	0.5
209.10532	0.4
210.11507	4.3
211.12206	1.4
218.08141	0.6
220.10046	0.4
221.10674	1.4
222.11491	2.4
223.12337	2.6
224.13045	2.3
225.10269	1.5
225.13928	0.6
227.11807	0.5
235.08594	1.5
235.12175	2.7
236.12863	0.5
237.10190	7.5
237.13876	2.9
238.10904	3.8
239.11742	5.1
247.12228	0.8
248.09348	4.7
249.10170	7.9
250.10945	6.9
251.11754	11.2
252.12445	1.5
253.09624	0.7
253.13332	2.3
255.11153	1.7
262.10938	0.5
262.83694	0.4
263.11734	31.4
264.09106	0.8
264.12491	5.9
265.09702	9.1
265.13300	30.0
266.10352	0.8
266.13910	2.3
267.11185	2.9
268.11957	0.4
269.12665	4.5
271.14420	1.5
277.09686	2.2
277.13385	0.4
278.10416	3.0
279.11234	39.8
280.11877	2.3
281.12762	3.2
282.13538	3.0
283.10919	0.6
283.14355	1.8
284.11459	0.4
285.12326	0.4
287.13794	1.7
291.11200	9.6
292.12015	2.4
293.09433	0.6
293.12762	6.8
294.09915	0.8
294.13547	1.8
295.10913	3.9
296.11359	2.5
297.12308	22.6
298.12952	1.8
299.13956	1.4
309.12292	74.1
310.13031	23.5
311.13834	12.4
312.14478	1.6
313.15009	0.5
315.13321	0.6
319.10715	5.4
320.11337	0.7
321.12323	1.6
326.12573	0.6
329.14935	1.4
330.16525	0.4
331.16647	0.6
337.11771	45.3
338.12500	22.5
339.13297	9.3
351.13162	0.5
352.14014	0.5
355.12762	1.6
356.13763	0.7
358.15231	0.6
369.14371	60.6
370.15088	12.8
371.15936	9.4
398.15060	0.6
399.15637	1.4
400.16440	2.3
414.18130	0.5
414.99930	0.5
417.16541	0.5
418.17776	0.5
436.22263	5.9
458.17014	1.7
462.20123	5.7
476.17862	0.6
480.21155	0.7
494.22806	100.0
495.23270	6.5
499.65701	0.5
559.25555	1.5
583.25476	5.6
591.28217	0.4
601.26459	3.0
615.27777	2.1
619.27606	5.8
620.28381	0.6
633.28656	0.5
651.30023	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81585	0.8
69.36181	0.9
78.96808	0.9
106.06526	1.4
118.40137	0.9
119.69844	1.1
120.04440	1.5
122.05996	1.5
124.07539	14.8
127.27497	1.0
136.07542	12.8
146.05951	4.5
146.09631	1.7
148.07541	4.5
152.07083	1.2
157.03825	0.9
164.07022	25.0
166.08589	24.6
172.03908	2.2
174.05487	2.4
176.07019	6.7
180.66301	1.0
190.04831	1.1
204.06496	1.7
210.11522	1.1
222.11421	1.1
223.12128	2.3
225.13759	1.1
235.12245	2.3
236.13187	1.7
237.10118	8.8
237.13841	4.7
238.10901	5.5
239.11667	7.9
248.09377	3.4
249.10127	8.9
250.11087	7.3
251.11720	16.1
252.12479	2.1
253.13321	4.1
263.11694	27.0
264.08746	1.1
264.12436	5.8
265.09735	10.2
265.13300	49.3
265.16162	1.7
266.13873	2.3
269.12830	2.3
271.14246	2.1
277.09637	6.1
278.10492	1.7
279.11218	61.5
280.11935	2.5
281.12738	1.5
282.13742	1.1
283.14334	2.0
291.11343	9.3
292.11926	2.4
293.12759	10.2
294.13391	1.2
295.10672	10.5
295.13849	1.4
296.11441	1.4
297.12323	23.3
298.12973	3.9
309.12268	72.3
310.12985	28.0
311.13831	29.3
312.14560	4.4
319.10626	11.1
321.12253	2.0
323.10501	1.4
337.11752	100.0
338.08435	1.2
338.12518	37.3
339.13293	20.5
369.14371	30.0
370.15219	7.6
371.16019	10.6
383.12241	1.5
400.16272	1.6
401.13159	1.5
436.22174	26.0
458.17230	2.2
462.13898	1.7
462.20123	33.2
463.20682	1.4
477.78088	1.2
480.21292	9.3
494.22903	46.6
583.25098	5.3
601.25970	6.2
619.27582	21.3
644.32007	1.2
651.29736	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
76.56545	0.9
80.04878	1.0
106.06475	4.3
108.07997	1.0
108.85888	0.8
118.50171	0.7
120.08114	0.9
122.05974	4.2
124.07539	21.9
134.06001	1.2
136.07544	27.3
146.05981	6.9
146.09669	1.0
148.07536	10.7
150.09163	1.1
152.07011	3.1
160.78050	0.7
164.07010	48.4
166.08586	26.9
172.03885	1.3
174.05438	7.4
176.07024	17.2
190.04991	3.1
191.05780	1.6
197.10631	1.4
199.43636	1.0
204.06493	1.8
210.11467	4.4
211.12320	3.4
212.89845	0.8
218.07991	0.8
221.10750	1.7
223.12239	4.2
224.13065	3.1
225.10129	3.2
225.13835	1.4
227.11755	1.4
235.12204	3.4
236.12971	1.3
237.10081	6.5
237.13835	3.2
238.10889	12.3
239.11719	17.9
241.09630	0.9
248.09303	3.1
249.10118	5.0
250.10977	3.9
251.11716	16.3
252.12448	3.6
253.13295	6.4
255.11136	1.1
262.10965	1.3
263.11646	16.3
264.12485	3.2
265.09744	5.1
265.13275	31.1
266.10382	1.2
266.13919	3.9
267.11273	5.6
268.11948	1.0
269.12772	8.6
271.14331	6.6
275.11423	1.2
277.09558	5.3
277.12860	1.3
278.10388	4.0
279.11194	100.0
280.11914	9.6
281.12772	4.7
282.13348	1.4
283.10992	1.0
283.14313	4.2
284.11386	1.7
287.13809	3.3
291.11133	6.7
292.11801	1.0
293.12787	12.7
294.13498	3.1
295.10797	6.0
296.11615	4.0
297.12238	43.2
298.13010	6.1
299.13858	1.3
305.14844	1.8
309.12265	35.5
310.12943	16.6
311.13800	60.5
312.14487	15.1
313.15399	5.0
315.13403	1.3
316.14471	1.3
319.10721	4.4
320.11456	1.0
321.12277	7.8
325.11841	1.1
331.16620	1.2
337.11731	57.0
338.12415	23.6
339.13297	53.3
340.13562	5.9
355.12943	1.4
356.13806	1.0
357.14337	1.3
358.15433	1.0
369.14371	8.1
370.15057	3.4
371.15942	9.9
372.16501	1.1
374.14914	1.2
384.13336	1.3
399.15442	4.6
400.16339	5.3
401.13266	4.1
407.18066	1.1
416.15878	3.3
417.16306	1.6
418.17355	1.4
434.21127	1.3
436.22226	64.3
437.22507	5.4
440.15802	1.1
450.20193	0.9
458.17044	6.1
459.17474	3.8
462.20160	22.0
476.17981	4.5
480.20905	7.3
494.23404	13.9
495.19901	1.8
545.78717	1.0
559.25134	4.2
583.25409	6.3
601.26263	13.6
619.27435	59.5
620.27533	5.2
651.29645	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	651.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12475	3.0
51.28629	2.7
55.05458	28.7
63.74979	2.9
65.22062	3.3
67.05424	28.3
69.03338	22.7
69.06993	31.7
69.76041	3.2
70.06503	31.6
70.24963	3.0
71.04906	6.5
72.08062	7.2
73.02823	4.3
73.46416	3.3
74.03902	2.9
76.02097	3.2
79.05401	7.3
81.03357	6.8
81.06979	49.2
83.04895	16.3
83.08534	5.7
84.04427	7.0
84.08072	27.0
85.02832	46.0
86.09632	15.2
91.05407	6.5
93.06971	21.7
95.01251	6.9
95.08537	65.3
97.02812	33.0
97.06482	3.9
99.04393	21.5
103.03887	26.5
105.06973	14.8
107.08516	29.6
108.08076	6.7
108.50082	3.8
109.02839	13.4
109.10123	32.2
110.07098	5.2
111.08025	4.8
111.11699	7.2
119.08532	15.4
120.08073	18.3
121.10114	8.1
123.11655	17.5
124.07567	5.3
127.03883	43.9
129.10199	4.8
132.96045	4.0
133.10110	9.0
135.11656	5.8
136.07579	7.4
141.01817	19.7
145.04958	8.0
145.10097	5.3
147.11646	6.8
148.07465	5.6
149.13242	19.5
150.09145	7.0
152.07054	92.3
161.13225	4.7
163.05960	5.7
163.56393	3.4
166.08623	56.3
176.10629	3.5
199.15030	4.2
217.13275	3.7
223.20570	5.2
241.21617	5.8
251.11867	6.8
265.13364	8.5
267.11179	5.4
269.12781	18.8
279.11194	9.1
291.26791	4.3
295.10648	15.0
297.12344	34.0
299.13873	3.8
307.10208	4.7
309.11978	5.5
309.27844	36.1
310.13248	5.0
318.15991	5.8
323.15842	6.1
332.13998	7.0
337.11682	8.8
346.15442	13.8
347.19955	3.9
358.15518	5.0
360.17038	13.9
361.17807	4.6
362.18356	5.5
374.18799	7.6
375.19626	4.1
392.15729	7.1
394.21432	8.2
402.18130	4.2
406.17480	8.5
419.18271	8.7
420.18753	7.1
421.19955	16.0
422.20544	5.4
434.20822	59.9
435.20837	5.3
436.22220	36.1
462.20166	100.0
463.20856	5.9
480.20956	7.4
494.22543	63.5
510.21887	6.8
560.27179	3.8
583.25238	4.4
601.26300	13.5
619.27106	32.3
651.30194	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	651.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04962	0.4
60.14543	0.1
64.32917	0.2
70.06509	33.6
71.06834	0.4
72.08062	0.4
74.05997	0.2
83.06028	0.2
84.04424	3.8
84.08062	1.9
85.02818	0.3
85.06350	0.2
86.09625	0.7
91.05399	0.4
93.07013	1.4
98.05986	0.2
102.04572	0.2
102.05450	1.1
103.05396	3.5
109.02811	0.4
110.07105	1.5
112.08650	0.2
113.07061	0.2
114.05502	0.3
115.08630	0.2
116.07039	78.8
117.07400	0.7
120.08055	100.0
121.08412	1.7
126.34215	0.2
127.03866	1.2
129.10216	1.0
136.07610	0.3
137.05879	0.2
143.08142	0.3
151.03928	0.2
177.05444	0.2
181.04898	0.3
182.04958	0.7
208.02812	0.8
222.26660	0.2
223.06425	0.2
253.72079	0.2
263.13837	41.7
264.14203	1.2
272.84830	0.2
283.08356	0.6
313.73495	0.2
321.10965	0.2
491.64114	0.2
571.15381	0.2
633.10004	0.2
670.08838	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	3.0
55.05437	9.6
56.04958	1.8
57.03365	1.6
57.06990	1.8
61.02819	1.2
63.00581	1.2
63.07762	1.3
67.05425	14.0
69.03349	17.9
69.06978	15.6
70.06506	21.6
70.07311	1.4
71.04906	5.9
72.08049	3.3
72.20222	1.4
79.05397	8.0
81.03313	7.0
81.06972	30.3
82.07297	1.7
83.08570	4.6
84.04423	10.1
84.08084	13.7
85.02818	28.3
85.61807	1.7
86.09626	12.9
90.05541	1.5
91.05395	10.6
93.06966	18.6
94.07311	1.7
95.04877	15.7
95.08527	32.9
96.08857	3.2
97.02821	13.3
99.04384	12.1
103.03873	26.2
105.03329	100.0
105.04415	2.6
105.06969	17.5
105.15025	1.4
107.08533	21.5
109.02817	7.7
109.10107	30.5
110.07134	3.1
111.04398	1.5
119.08517	16.0
120.04410	1.7
120.08050	14.4
120.08796	2.3
121.06435	1.9
121.08436	1.5
121.10067	9.7
123.11649	12.8
124.07522	2.8
127.03854	30.8
127.11129	2.2
128.04190	2.4
128.06157	3.0
129.06906	5.8
129.10196	9.9
131.08556	10.5
133.10104	16.1
135.08020	5.7
135.11656	6.5
136.07538	3.2
137.13240	3.0
139.11154	1.7
141.01781	2.1
141.06982	7.6
142.07750	6.9
143.08537	16.9
145.04924	9.9
145.10046	5.5
147.11671	3.1
148.07590	1.9
149.13193	10.9
155.08511	9.2
156.09276	20.7
157.10092	7.3
159.07999	3.5
159.11656	2.7
161.09555	2.2
161.13228	1.9
163.05933	9.7
163.14848	1.8
166.08592	9.5
168.09293	10.0
169.10046	3.3
170.10890	2.1
171.11647	15.8
173.13260	2.1
175.14729	2.3
178.07671	8.8
181.06400	3.3
181.10062	2.5
183.11655	13.9
187.11275	2.1
189.16370	1.8
191.17734	1.7
193.10094	12.8
196.08737	9.1
199.11105	35.0
200.11534	1.8
201.12579	2.7
211.11098	19.0
217.19495	2.2
229.12173	20.2
247.13156	9.5
267.10983	1.6
273.25714	7.9
274.26010	3.2
279.11276	10.9
280.11688	7.5
291.26718	3.3
292.27072	2.7
295.10452	2.6
297.11783	3.1
298.12555	1.8
307.10181	5.9
309.11923	2.0
310.12778	3.3
333.14691	1.8
337.11673	2.0
339.13318	7.2
340.13779	2.4
351.15689	12.6
494.22366	1.5
601.26392	2.3
602.26599	3.5
620.27222	3.2
674.56537	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	1.2
57.07016	37.1
65.03856	0.8
68.27486	0.9
75.55969	0.8
83.04913	13.5
91.05411	3.6
103.97913	0.8
104.81154	0.8
105.06992	3.3
107.08496	1.0
117.06918	1.1
119.08534	1.7
121.10066	0.9
128.06148	1.7
131.08524	3.7
132.09311	1.3
133.10097	1.4
141.06937	7.6
142.07745	1.0
143.08543	3.5
147.02023	7.4
147.11665	24.8
159.08005	7.5
175.01498	3.6
180.49345	0.9
187.03030	1.8
193.04198	1.3
205.04131	3.8
211.05159	1.5
215.14236	6.5
223.05150	45.0
241.06102	6.9
243.17422	1.2
244.99716	5.6
271.20514	5.4
279.11356	14.9
297.12317	1.4
321.02844	1.9
326.33884	1.0
335.17752	3.8
377.08810	1.3
397.05560	1.7
433.15292	9.5
453.12384	6.9
509.18436	16.4
565.24738	14.8
614.96509	1.2
621.30963	100.0
622.31458	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	652.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11547	0.2
55.05453	0.3
56.04963	0.4
57.07007	0.8
58.06543	0.2
60.08096	9.0
62.55136	0.2
64.35661	0.2
67.05417	0.3
69.06986	0.3
71.07288	3.7
71.08540	0.3
72.53596	0.2
79.26242	0.2
81.06968	0.2
83.04920	0.2
83.08547	0.5
86.09629	47.1
87.09923	0.3
91.05421	0.3
93.07018	0.2
95.08517	0.3
98.98402	4.0
104.10675	3.6
107.09396	0.2
124.99967	32.7
139.27727	0.2
143.01009	0.8
184.07312	100.0
185.07689	1.4
201.90388	0.2
289.83646	0.3
337.02393	0.2
486.05267	0.2
652.41699	10.2
652.57990	0.3
653.41901	0.9
681.76788	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	653.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55714	0.3
54.81944	0.4
56.04965	1.9
61.94559	0.3
71.81362	0.3
75.10518	0.3
82.31996	0.3
83.00626	0.3
84.04429	55.8
85.02840	0.6
85.04766	0.4
91.05408	10.7
95.04893	5.3
102.05487	1.8
103.05396	0.5
109.06470	0.4
113.37251	0.4
119.04897	30.8
121.06480	2.1
123.04384	47.5
130.04204	0.3
130.04968	13.4
136.07555	100.0
137.06010	0.5
137.07877	2.4
147.04396	23.1
148.04773	0.6
165.05447	71.4
166.05771	1.6
182.08098	44.1
183.08443	0.7
184.07498	0.4
189.14915	0.3
200.06970	0.5
202.08606	14.9
203.09074	0.5
247.10966	0.4
248.09135	7.1
294.09604	7.3
311.12320	58.4
312.12744	2.9
331.03476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62639	0.3
53.03884	0.3
56.04970	2.5
60.05575	0.3
61.02882	0.3
64.62377	0.3
69.03360	0.3
70.06541	0.3
75.44115	0.3
77.26819	0.3
84.04426	58.7
84.08012	0.3
85.02824	1.5
85.04766	1.2
87.32865	0.3
91.03927	0.5
91.05404	8.4
93.06979	0.4
95.04897	5.8
97.02840	0.4
102.05473	1.8
103.05402	1.6
107.04896	0.5
114.37048	0.4
119.04893	28.0
120.05243	1.2
121.06489	1.7
123.04378	50.0
124.04739	0.7
127.08657	0.4
130.04964	12.5
133.35231	0.3
136.07549	100.0
137.05972	1.2
137.07880	2.1
145.04958	0.6
147.04385	22.4
160.07550	0.3
165.05435	73.4
166.05823	2.3
182.08090	44.0
182.65338	0.3
183.08435	1.4
200.07068	0.3
202.08578	14.1
203.08929	0.4
220.09767	0.5
248.09108	6.4
294.09631	6.1
311.12302	54.1
312.12415	2.1
420.44220	0.3
474.11401	0.3
646.38495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	8.3
55.01807	6.8
57.03375	5.2
57.40062	0.8
61.02850	2.3
61.64055	0.9
62.37966	0.8
68.99722	1.6
69.03353	22.3
70.06520	5.0
71.04909	2.5
73.02837	5.1
77.12880	0.9
79.05420	4.8
81.03345	25.3
84.04411	1.9
85.02339	2.3
85.02831	46.9
85.03358	1.7
87.00763	21.9
91.05409	7.8
91.30152	1.0
95.04906	1.7
97.02822	21.6
99.04382	10.6
100.11179	1.3
103.05395	5.2
105.01803	11.0
105.06985	11.1
107.04886	11.5
108.04439	1.9
109.02840	20.9
109.06490	1.3
115.05415	9.0
117.01821	1.3
117.06980	13.6
119.08539	4.0
122.03628	4.6
123.04398	2.5
124.05166	1.9
125.05925	1.1
127.03880	22.8
128.06189	1.4
129.01801	1.3
129.06956	8.3
130.04172	1.1
131.04890	6.7
131.08534	2.7
132.05663	2.3
133.06462	8.7
136.06172	2.0
137.05962	67.1
141.06931	1.5
143.04898	5.0
144.05734	4.6
145.04987	6.0
145.06483	24.5
147.08064	6.0
149.06021	1.7
151.03900	1.7
153.05547	1.6
155.05988	2.2
156.05695	7.0
157.06465	7.6
159.02872	12.2
159.08049	9.1
160.05176	16.0
161.05977	9.5
163.07570	2.1
167.07005	55.8
172.05177	2.3
173.05948	32.2
174.06689	2.5
175.07512	100.0
176.07959	1.4
187.07509	34.8
189.09109	5.8
190.06213	18.8
190.07758	1.7
191.06950	2.5
193.08580	18.8
199.07527	4.6
201.09056	1.1
203.06979	6.2
203.08606	1.8
205.08575	43.6
206.58452	1.1
217.08557	31.7
219.09932	1.5
231.04958	4.5
233.09679	1.9
234.06677	1.4
235.07394	2.1
235.09576	22.4
241.08614	4.4
247.07430	2.0
247.09673	5.2
248.08107	1.2
249.09048	4.1
259.68753	1.2
261.09042	5.1
263.06873	1.5
265.10699	22.5
266.08939	1.6
271.06052	6.1
277.08475	2.0
278.09351	2.1
281.11697	2.3
285.07535	7.3
289.08707	1.9
293.11713	4.3
300.09933	8.7
302.18076	1.2
302.93863	1.2
306.08786	1.1
307.09558	2.4
309.11127	1.9
313.10638	1.8
321.11179	6.7
326.11349	1.5
338.11343	1.4
341.13782	7.9
353.13739	16.5
355.15359	6.6
359.23099	5.2
359.73477	4.2
360.23633	1.5
370.08557	1.4
371.14847	19.9
558.80237	1.2
600.77942	1.1
604.88495	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28690	0.3
53.03870	1.7
55.01809	2.3
55.05446	0.5
56.04956	0.7
57.03368	1.1
60.04452	0.4
61.02843	1.6
63.10975	0.3
64.93883	0.3
65.03886	0.3
66.92936	0.3
67.05431	0.3
68.99698	1.4
69.02994	0.5
69.03345	6.9
69.06987	0.3
69.90300	0.3
70.06142	0.4
70.06509	8.7
71.04907	1.5
72.08066	0.6
73.02818	1.9
74.05984	0.4
74.50357	0.3
75.71327	0.2
75.89474	0.3
76.00450	0.3
78.04609	1.3
79.05412	4.5
81.03336	6.9
81.06957	0.6
83.04926	0.5
83.06007	0.3
84.04429	3.4
84.07637	0.4
84.08065	4.4
85.02341	0.6
85.02825	12.8
85.08369	0.3
86.09614	1.4
87.00748	6.4
89.05946	0.5
89.36753	0.3
91.03868	0.4
91.05402	5.9
93.03363	0.4
93.06950	0.5
95.04885	2.1
97.02808	4.5
98.05952	0.4
99.04381	2.9
100.27486	0.3
100.68354	0.3
102.05480	0.7
103.05408	2.2
105.01791	2.5
105.04527	0.3
105.06969	6.3
106.04099	1.5
106.72807	0.3
107.04898	8.2
108.04416	0.6
108.91908	0.3
108.94830	0.3
109.02821	5.2
109.06440	0.6
110.07101	1.9
111.04360	0.4
115.05382	2.7
116.06225	0.3
116.42496	0.3
117.01823	0.6
117.03284	0.4
117.06992	2.1
118.04102	0.6
119.04887	2.7
119.08513	3.2
120.08057	0.3
121.02911	0.4
121.06451	1.4
123.04385	5.8
123.08009	0.6
124.05183	3.3
125.05920	1.5
126.05455	0.5
127.03887	6.4
128.06175	2.1
129.01776	0.4
129.06964	7.5
129.10173	2.2
131.04926	3.7
132.05643	1.9
133.06451	5.7
136.05145	1.5
136.07559	0.4
137.05951	2.2
140.04645	0.3
141.06927	0.5
143.05956	0.5
144.05664	1.2
145.02867	0.5
145.04942	1.3
145.06456	3.0
146.07217	0.6
147.04350	0.6
147.08034	3.7
148.05162	0.4
149.05946	0.7
151.03867	1.7
151.07507	2.6
152.04639	4.0
153.05426	1.8
155.04869	1.6
156.05634	1.2
157.06516	0.7
159.02890	1.9
159.08020	6.2
159.09218	0.5
160.05150	1.8
161.05945	8.8
161.09563	0.5
162.06491	0.4
163.07518	0.5
165.05403	0.4
167.06999	100.0
168.05936	0.3
168.07312	2.1
169.06332	0.5
172.05205	2.1
173.05966	0.6
174.06686	0.4
175.07497	17.2
175.09021	0.6
176.04662	0.7
176.07864	0.5
177.05389	2.6
178.07727	0.7
178.36142	0.3
179.07005	7.4
179.08549	0.4
181.04851	0.4
181.08513	0.4
184.05229	0.7
184.07362	0.4
185.05922	0.6
187.07504	14.1
189.06779	0.4
189.09050	1.4
190.07622	1.0
191.06940	6.7
191.08389	0.7
193.08572	3.5
193.10048	0.7
194.07408	0.4
199.07504	6.2
201.09123	0.4
202.07774	0.5
203.08539	2.6
205.06494	0.7
205.08455	0.7
206.07211	2.1
207.08011	1.1
209.08038	0.7
215.08534	1.5
217.06570	0.9
217.08563	2.2
218.07231	1.8
219.08000	2.0
220.08829	0.7
221.09531	4.6
223.07513	0.4
230.06735	0.4
231.04901	0.7
231.08020	1.9
232.08774	0.7
233.05923	0.4
233.09596	2.5
234.06674	3.0
235.07469	2.0
237.09001	0.5
243.08101	0.4
246.06604	1.1
247.07401	1.7
248.08160	1.4
249.09056	5.9
250.09692	1.6
251.07002	1.8
251.10643	0.4
253.12334	0.4
259.07339	1.4
260.08182	0.7
261.09036	2.9
263.06848	0.5
263.10782	0.4
265.08405	1.3
266.09378	2.2
274.06345	0.4
275.06805	0.5
276.07611	0.6
277.08563	3.4
278.09308	1.2
279.06412	0.6
279.10165	0.5
281.11646	8.5
283.09674	0.4
289.08484	3.3
290.09360	0.6
291.06808	0.5
291.10150	1.5
293.08075	0.6
293.11627	0.7
294.08917	1.5
295.09534	1.6
296.10373	0.3
306.08777	0.5
307.09457	0.7
309.11172	7.2
310.11853	1.5
311.08960	1.2
321.11221	3.3
322.11911	0.6
326.11417	3.2
327.12051	0.5
338.11432	0.6
339.12198	0.5
341.13763	28.0
342.14069	1.7
351.12436	0.4
353.13754	11.4
359.14850	2.8
365.13672	0.7
371.14871	5.8
383.14835	0.4
389.15497	0.4
431.15045	0.4
456.87723	0.3
525.26007	0.3
544.46277	0.4
666.74713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00257	0.7
55.05441	5.9
57.06745	2.0
57.07011	47.1
65.03854	3.3
65.34316	0.7
70.58202	0.7
79.05463	0.7
83.04897	54.7
83.08511	0.8
85.39188	0.8
91.05400	10.5
92.71189	0.8
98.98385	2.0
105.06964	6.9
105.94308	0.8
115.05407	3.2
117.06977	0.9
119.08498	4.7
120.38847	0.7
129.06909	1.1
131.08488	1.7
132.09280	3.5
133.10051	3.4
141.06970	8.8
147.08032	1.8
147.11664	47.3
151.01527	9.7
159.08008	7.9
161.13185	3.7
163.01526	6.9
169.07562	1.7
175.01497	11.2
181.02515	1.0
187.01462	0.8
227.04617	7.6
239.04613	11.9
260.99167	1.5
295.10849	1.9
337.02286	64.8
338.02432	1.1
393.08530	29.9
394.08893	1.2
413.05188	1.8
453.53561	0.9
469.11707	15.8
525.10388	1.6
525.17871	30.9
581.24225	53.0
582.24243	4.6
630.26813	0.9
637.30389	100.0
638.30792	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.368
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02298	0.5
57.06744	0.8
57.07013	18.8
57.57850	0.6
60.10741	0.5
67.05428	13.0
83.19371	0.6
85.06470	4.7
91.05409	4.3
95.04873	0.6
98.98389	6.7
100.79429	0.6
105.06981	1.5
107.78279	0.6
115.05423	1.1
119.08482	0.6
128.06178	10.1
140.99437	1.3
143.08536	13.0
147.11659	15.8
155.05952	0.9
161.09589	8.3
165.03088	100.0
166.03403	0.7
171.09081	1.2
173.03586	16.8
175.01535	0.9
183.04147	5.8
187.01524	1.2
229.09834	3.9
239.08174	4.0
241.06201	16.1
292.42252	0.8
297.09042	0.8
297.12433	20.5
353.18671	34.0
354.18970	1.1
396.00928	0.8
469.15225	0.9
525.21936	5.3
581.28070	7.2
637.34064	77.8
638.34583	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	654.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00225	2.9
53.03891	4.2
54.54712	2.9
54.81792	3.1
55.01812	6.8
55.05450	13.9
56.68327	2.4
57.07017	44.0
67.05433	36.0
69.06979	16.7
71.04886	2.7
71.08554	27.7
79.05403	21.1
81.06966	33.4
83.04882	13.4
83.08528	15.0
85.10089	17.1
91.05405	13.0
92.64114	4.2
93.06982	27.5
95.04903	4.9
95.08527	32.9
97.06454	4.6
98.98402	12.6
107.04899	13.9
107.08523	13.0
109.10104	15.6
111.04391	16.5
111.08018	5.8
119.08519	5.7
121.10091	6.0
128.63283	3.3
131.08513	4.9
135.11650	17.7
145.10098	14.1
153.12744	7.6
155.00970	4.5
159.79648	3.1
163.11142	22.0
173.09566	4.8
174.37035	3.2
181.12157	13.4
184.07251	3.9
191.10664	5.4
227.12724	6.4
283.15335	12.8
313.26868	4.3
332.73447	3.0
349.17072	3.2
357.16663	3.7
362.85944	3.2
370.22681	3.4
521.38379	23.8
539.39343	100.0
540.39429	12.5
610.77618	3.6
655.37933	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	655.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62196	1.6
54.81445	2.7
62.84848	1.9
64.66654	2.2
66.80762	1.8
67.05431	5.4
70.13821	2.1
70.66867	1.7
78.33388	2.0
81.06964	3.3
88.71090	2.1
92.10960	4.1
112.75375	2.4
162.79414	2.5
187.92014	2.7
355.67917	2.2
514.16895	2.6
655.38739	3.5
655.49011	100.0
656.48419	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	656.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01540	0.2
51.02325	0.2
53.00245	0.2
53.03883	0.3
55.01807	0.1
63.02304	0.2
65.03863	2.6
67.05418	0.3
70.06514	0.2
76.03043	0.3
77.03835	0.8
79.05415	0.2
82.04125	0.3
85.02823	0.9
89.03824	1.1
91.05407	36.0
92.05748	0.4
93.03342	0.3
95.04898	0.7
102.63953	0.1
103.05392	0.8
105.03329	0.7
105.04475	0.1
107.04878	0.3
108.05659	0.4
110.03610	0.3
111.04408	0.3
118.04135	1.3
118.78136	0.2
119.04897	53.5
120.05226	1.3
121.02843	0.5
122.03642	0.3
129.03308	0.8
130.33658	0.2
131.04900	0.2
132.02052	2.5
133.02835	0.7
134.03609	0.2
135.04361	0.8
136.05185	1.1
137.05940	0.2
137.30679	0.2
138.03148	0.3
140.04660	0.2
142.02571	0.2
145.02843	1.3
146.03607	3.8
147.04390	46.7
148.04745	0.9
149.02287	2.5
150.03117	0.2
153.05408	0.2
157.03954	3.8
160.01509	0.3
162.03108	0.6
163.03807	0.2
164.04636	2.2
171.06512	1.3
174.01712	0.3
174.03094	5.0
175.03873	60.2
176.04231	2.1
177.01897	0.2
179.06989	4.7
181.04926	19.3
182.05255	0.2
192.04128	10.1
207.06497	100.0
208.06828	3.0
219.10152	0.2
473.47717	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	657.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00250	2.8
53.03879	11.2
53.59643	1.9
55.01814	5.4
55.05450	11.1
56.04963	4.1
57.03360	10.7
61.02849	11.7
63.49940	2.3
65.03863	5.3
67.05419	18.5
69.03349	54.5
69.06993	4.8
70.06514	51.3
71.04903	3.0
72.08043	4.0
73.02831	3.4
79.05394	11.5
81.03335	17.8
81.06968	21.4
83.04889	4.3
83.05978	2.8
84.04434	27.4
84.08063	28.2
85.02342	4.6
85.02827	100.0
85.06464	3.5
86.06004	3.5
86.09599	14.6
91.05402	72.4
92.05737	16.2
93.06949	11.1
95.04901	11.3
95.08517	20.1
97.02825	32.3
99.04387	15.1
101.07111	3.5
101.36636	2.4
102.05466	4.4
103.05396	5.9
105.06971	68.7
107.04896	42.9
107.08523	12.6
109.02820	5.1
109.06448	18.3
109.10115	38.9
110.07104	17.0
111.04397	4.3
117.06966	10.9
119.04893	63.9
119.08533	61.6
120.05231	17.0
120.08061	5.4
121.02799	5.0
121.10104	25.9
123.08000	12.3
123.11663	59.2
124.03877	3.4
125.05940	15.2
127.03875	14.5
129.10188	10.2
131.08528	13.0
133.06413	3.6
133.10054	2.7
134.07301	3.1
135.04327	3.2
137.05962	4.3
137.09563	4.1
142.07791	2.6
143.08516	3.0
145.02815	3.3
145.04904	6.2
145.06458	3.4
145.10080	19.6
146.03593	3.6
147.04388	44.4
147.08002	11.2
147.11668	69.5
148.04727	14.2
149.02307	73.1
149.05885	4.3
149.09575	15.6
151.07501	12.8
153.01804	13.5
156.09348	5.7
161.09554	4.4
163.11151	3.6
169.06419	3.3
175.03894	63.2
175.11029	3.3
176.04240	28.6
179.06987	4.3
181.04970	26.8
182.05257	5.7
189.12802	19.1
192.04138	11.1
193.04605	4.3
197.05975	4.8
207.06497	95.0
207.13770	63.0
208.06793	32.4
215.06972	84.0
225.14809	12.0
243.06462	87.0
244.06740	4.5
269.12280	3.4
271.05933	75.6
272.06357	2.6
289.07071	24.8
311.13095	2.8
333.16879	36.4
351.17957	40.8
369.19073	26.8
384.67813	3.1
413.16342	4.1
477.18738	16.4
495.19876	5.0
639.24487	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	658.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01560	0.1
53.03883	0.3
55.01813	0.4
65.03532	0.3
65.03867	7.2
67.05430	2.7
68.99695	0.2
69.03336	1.1
69.06985	0.4
70.06508	0.7
74.23981	0.2
79.05396	0.3
82.04120	2.3
84.08070	0.2
85.02831	5.2
91.05412	3.9
92.05720	1.0
93.03328	1.2
93.06944	0.2
95.04903	1.7
97.02853	0.3
97.06455	2.3
97.73950	0.2
107.04942	1.2
108.02036	1.3
110.03612	4.7
111.04385	2.4
119.04913	4.3
120.05244	1.2
121.06451	0.4
123.04382	1.0
124.05148	0.4
125.05959	2.6
129.10092	0.2
132.01952	0.2
135.04427	0.4
137.02330	0.3
138.03098	2.0
142.02585	2.6
147.04384	3.7
148.05197	3.2
149.02312	0.2
149.05989	0.3
153.05406	0.9
156.04054	0.3
157.03902	0.3
164.29623	0.2
167.07004	39.4
168.07359	0.9
171.06497	10.6
175.03864	4.3
176.04535	4.6
177.05551	2.3
179.06963	0.3
181.04924	100.0
182.05260	2.7
194.05737	4.2
207.06520	3.6
208.06847	2.7
209.08076	26.9
209.09621	0.4
209.10185	0.2
210.08334	0.2
243.01683	0.2
251.09183	0.6
264.70865	0.2
287.04117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98344	0.3
53.03876	2.6
54.04420	0.3
54.12571	0.3
54.16697	0.3
55.01807	0.8
55.05438	1.5
57.03361	1.5
67.05422	3.2
67.19775	0.3
68.82043	0.3
69.03351	7.0
69.06944	0.4
70.06488	0.8
71.04909	12.9
72.08074	0.5
73.02814	0.4
76.55865	0.4
77.05805	0.3
79.05405	13.9
81.03340	4.9
81.06982	2.9
83.04893	1.5
84.04438	0.5
84.08049	0.7
85.02833	2.8
86.09628	1.6
91.05408	13.3
92.10326	0.6
93.06974	4.2
93.48367	0.3
95.04887	5.4
95.08560	0.5
97.02822	1.6
97.06456	0.7
99.03794	0.7
99.04390	11.0
105.06979	29.6
106.07330	0.5
107.04194	0.7
107.04907	20.6
107.08538	5.9
109.02844	1.7
109.06473	3.4
109.10099	5.0
111.04377	1.8
113.05956	2.5
115.05414	1.8
117.06981	5.9
119.04890	0.7
119.08534	38.1
120.08875	0.5
121.06449	6.6
123.08018	0.7
124.07277	0.4
125.05964	2.3
127.03846	0.5
128.06200	6.3
129.06981	4.1
130.07738	1.6
131.04956	0.8
131.08580	2.6
131.44835	0.4
132.05678	0.8
133.06476	2.4
133.10100	40.8
134.10466	1.8
135.08020	1.6
137.09587	8.1
143.08548	18.5
144.08916	0.6
145.06444	3.3
145.10103	3.4
146.07239	9.6
147.08026	31.7
148.08421	0.7
151.03868	1.5
152.61671	0.4
159.08035	1.5
161.09586	100.0
162.09917	3.8
163.07521	0.4
163.11121	0.5
165.09090	12.2
171.08032	3.1
174.06778	2.9
179.10634	9.8
189.09068	14.4
207.10130	26.1
208.10498	0.7
225.11119	4.9
228.47957	0.4
271.05902	1.6
293.10193	0.6
311.11127	5.4
329.12244	51.9
330.12622	2.9
439.15189	0.4
455.15393	1.8
458.91541	0.4
473.16547	3.7
481.08307	0.7
534.43170	0.4
626.50397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94854	0.8
53.00229	1.2
55.05461	1.0
57.07013	14.6
58.06532	2.0
70.06508	27.2
71.08534	5.6
72.08089	1.6
76.38899	1.0
86.09620	2.0
88.07545	24.9
90.91132	1.1
92.10896	2.0
102.09118	22.7
149.02307	60.6
149.03485	2.7
154.29015	1.0
177.05435	1.5
179.05553	1.3
184.07346	4.8
193.04930	76.2
237.07535	21.8
256.26285	46.8
297.03894	2.0
313.07004	2.0
341.06522	12.2
359.07559	9.7
385.09122	25.1
429.11740	32.9
430.11874	1.3
432.13379	1.3
463.70615	1.1
520.03040	1.4
658.35699	100.0
659.36090	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	658.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20082	0.3
53.00242	0.4
55.01794	0.4
55.05433	0.4
56.96501	0.4
57.06736	0.7
57.07012	19.5
57.89423	0.3
58.06535	0.7
62.06019	18.7
64.59091	0.4
67.05453	0.4
70.06535	0.4
71.08183	0.7
71.08545	12.6
85.10102	5.7
86.09627	1.5
108.71824	0.4
109.10085	0.5
112.05038	0.5
119.08533	0.6
165.29121	0.4
184.07272	0.6
205.06900	0.4
211.28815	0.3
226.25314	0.4
226.85626	0.5
244.26305	100.0
245.26674	5.1
304.63071	0.4
348.62143	0.3
454.38699	0.4
573.20685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	3.9
55.01817	1.2
55.05442	8.2
56.04973	1.6
56.54944	0.7
57.03357	1.6
62.26304	0.7
62.42775	0.7
67.05419	11.5
69.03338	10.1
69.06979	1.3
70.06509	5.8
70.44669	0.7
71.01229	1.0
71.04893	4.9
72.08095	0.9
73.02839	1.0
79.05404	15.5
81.03336	13.2
81.06960	8.0
82.22416	0.7
83.04890	5.5
84.04425	7.1
84.08060	8.0
85.02826	9.8
86.09608	5.0
91.05397	10.6
91.93401	1.0
93.06945	4.4
95.04893	10.9
95.08515	5.6
97.02825	6.5
97.06456	1.7
99.04367	4.4
103.03873	1.8
105.06976	14.4
107.04888	24.5
107.08531	4.2
109.02795	5.1
109.06450	5.7
109.10098	40.7
110.07084	3.1
111.04404	4.1
117.07007	1.3
119.08538	14.9
120.08045	1.9
121.06443	1.9
123.04404	1.3
125.05868	1.0
127.03890	5.9
128.06184	5.5
129.06931	5.5
129.10158	4.6
131.39282	0.8
133.06413	1.1
133.10068	11.7
135.08047	1.2
136.07529	0.9
137.08513	1.8
137.09576	53.5
137.86150	0.7
138.09917	0.9
143.07050	0.8
143.07318	0.9
143.08522	14.2
145.05022	1.0
145.06450	1.3
145.10081	4.7
146.07201	3.4
147.04373	3.6
147.08020	20.0
153.01788	7.6
157.90012	0.8
159.07997	1.0
161.09573	100.0
162.09897	1.7
165.09067	54.8
166.09439	1.3
171.02975	0.8
171.08022	0.8
174.06712	1.4
179.10606	8.3
189.09026	7.1
195.02835	16.9
197.11613	1.3
207.10124	30.7
225.11229	9.8
271.16745	1.0
273.07544	7.0
285.07666	1.1
297.07718	1.0
315.08588	1.8
369.15262	3.4
387.16260	4.4
542.35132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10617	0.6
53.03893	6.9
55.01805	1.8
55.05433	1.6
57.03368	1.9
61.02855	3.6
61.51500	0.7
63.17327	0.7
67.05418	1.5
69.03346	15.6
69.07015	0.9
69.49725	0.8
70.06503	5.7
71.04915	6.3
71.66312	0.9
72.08056	1.0
73.02821	5.2
73.82061	0.7
78.08450	0.7
79.05390	0.8
81.03339	19.4
81.06967	4.8
83.01271	1.0
83.04877	0.9
84.04420	4.1
84.08080	8.0
85.02826	70.2
86.03158	1.2
86.09644	3.2
91.05399	4.3
93.06986	1.9
95.08529	3.6
97.02824	38.4
99.04386	58.6
101.02264	0.8
103.03877	100.0
105.06982	4.6
107.08543	4.0
109.02834	26.1
109.10116	3.4
110.07119	1.8
119.08548	4.4
120.08004	1.1
121.10104	2.9
127.03873	99.0
128.04199	1.4
129.10211	3.6
131.08540	3.6
132.08096	0.8
133.10110	1.6
135.11642	1.9
140.18672	0.8
145.04939	39.3
145.10136	1.8
147.11653	3.3
159.11656	3.6
161.13211	1.3
163.05988	38.4
163.14778	0.8
169.04921	1.1
173.13214	2.7
187.06003	3.6
196.90228	0.8
199.14697	1.0
205.07092	0.9
247.46736	0.7
255.21053	11.5
256.21344	0.9
271.08093	8.7
273.22119	8.8
289.09286	7.0
301.21573	9.9
307.10159	15.5
319.22562	4.3
461.09546	1.0
486.15482	0.8
607.30853	1.1
632.94513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05415	0.2
56.04964	0.4
57.07006	0.2
58.06518	0.2
60.08091	9.4
64.47281	0.2
67.05430	1.3
69.06978	0.2
70.06473	0.2
71.07284	3.7
79.05378	0.7
81.06964	1.5
81.59277	0.2
82.07249	0.1
86.09621	47.9
87.09936	0.6
91.67507	0.1
93.06963	0.3
95.08524	1.6
97.06477	0.2
98.98388	4.0
104.10664	2.6
105.06960	0.6
107.08539	0.3
121.10059	0.1
124.99953	33.5
125.09515	0.2
126.00333	0.2
143.00999	0.7
147.11668	0.3
175.99286	0.2
184.07294	100.0
185.07616	1.7
275.22876	0.2
519.40436	0.7
565.71747	0.2
614.33551	0.2
660.42206	9.4
661.42230	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00223	1.4
53.84297	1.3
55.01812	2.5
55.05455	24.5
55.33039	1.5
57.03363	3.1
57.07001	11.1
65.03863	1.9
67.05079	3.0
67.05430	80.2
69.03340	1.9
69.06988	28.5
71.08530	3.6
71.72199	1.6
79.05416	33.4
81.06976	100.0
81.07453	3.4
83.04876	2.6
83.08528	9.5
85.06461	3.7
85.10096	1.9
86.09621	2.5
89.05939	7.2
91.05402	25.0
92.10916	6.2
93.06970	25.2
95.04898	2.7
95.08534	49.6
97.06476	3.1
97.10106	2.1
98.98395	2.1
105.06992	27.8
106.52192	1.6
107.08523	12.4
107.09120	1.5
109.10091	15.1
112.28184	1.6
119.08527	13.5
121.10121	12.7
123.11647	9.8
133.10123	2.8
147.11650	9.9
166.42407	1.4
184.07291	10.2
193.06349	2.3
196.85667	1.8
208.16890	2.1
239.16328	3.1
241.54390	1.7
257.24100	1.5
306.27872	7.5
337.27573	6.3
433.69287	1.8
501.39359	69.8
502.39160	7.3
519.40375	82.4
520.40479	9.5
642.40845	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	660.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55500	0.1
53.61036	0.2
55.05441	0.3
56.04972	0.5
56.97299	0.2
58.06528	0.2
59.68613	0.2
60.08093	7.9
67.05406	1.3
69.06962	0.2
71.07291	4.1
72.87290	0.2
75.91682	0.2
79.05412	0.2
81.06968	1.1
84.92444	0.2
86.09623	44.5
87.09409	0.2
87.09945	1.3
91.05421	0.2
93.06993	0.2
95.08527	2.0
98.98391	4.2
100.04257	0.2
104.10691	2.4
116.99449	0.2
124.99959	32.6
132.99423	0.2
143.01003	0.9
184.07298	100.0
185.07637	2.4
385.87161	0.2
461.50375	0.2
601.60663	0.2
660.42389	7.3
661.42200	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71810	3.2
55.01805	7.7
55.05450	81.6
57.03360	8.7
57.07015	43.7
67.05432	41.1
68.46903	3.9
69.03359	4.6
69.06979	22.7
71.08545	29.7
75.05543	3.6
78.96363	3.5
79.05397	38.4
81.06976	34.8
83.04890	5.2
83.08524	51.2
85.10101	5.7
91.05357	5.6
93.06984	7.0
95.08537	27.5
97.10110	100.0
107.08526	22.4
109.10099	9.9
118.32886	4.7
119.30718	3.8
125.09586	90.1
144.00517	4.0
153.09067	17.4
155.27846	3.7
169.62378	4.0
171.10191	4.8
189.11176	38.1
227.12755	44.5
245.13904	6.5
313.27258	18.9
369.22656	27.8
387.23636	46.5
455.37100	19.1
483.36740	31.1
625.46661	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	36.8
57.03365	34.9
57.07010	73.8
58.15364	6.8
66.47241	7.5
67.05427	89.1
68.01293	7.3
69.06976	35.6
71.08536	53.1
79.05388	13.7
81.06965	64.3
83.08523	38.9
85.06475	7.5
85.10097	32.0
89.05892	8.7
91.05384	11.9
93.06966	55.0
95.08540	64.2
97.06459	8.1
97.10095	7.2
105.06985	8.8
107.08546	17.7
109.10106	69.6
119.08509	8.7
121.10094	9.1
125.09623	10.4
127.03713	7.0
130.48056	7.0
151.01529	7.2
209.99490	8.3
227.12961	24.4
229.14352	14.2
269.17484	12.7
308.58679	7.5
313.27338	100.0
351.25137	15.6
467.37064	51.8
475.27451	9.2
507.40317	91.1
522.12689	9.1
589.47760	32.6
607.48254	9.5
641.61993	10.7
660.26208	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	661.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78939	0.9
52.30080	0.8
54.81734	0.9
57.60947	0.9
57.84048	0.8
60.11055	0.9
65.03876	7.3
67.05416	1.2
70.06506	6.0
82.36447	0.9
84.04438	4.7
84.08047	1.5
85.02819	1.8
88.63907	1.1
91.05403	58.5
95.04916	2.3
97.06471	1.7
110.03594	1.9
110.07179	1.2
111.04391	1.3
119.04889	73.9
120.05244	1.5
129.03362	1.2
132.02025	2.1
135.04402	1.3
136.07455	1.1
145.02783	1.5
145.57053	1.2
147.03204	2.1
147.04378	58.3
147.05504	2.2
148.04727	2.5
149.02286	1.9
157.03925	4.3
162.78951	1.1
164.04636	2.4
171.06473	4.7
171.24635	1.1
174.03174	1.2
175.03868	68.3
176.04199	4.1
177.04286	1.1
179.06958	4.1
181.04906	57.0
182.05301	1.1
203.01196	1.2
203.03108	45.2
207.06482	46.9
208.06790	3.9
215.01541	1.4
216.62082	1.2
221.04135	1.6
229.04692	54.5
229.06979	2.0
257.02588	2.4
275.03629	4.5
395.05801	8.6
413.06915	2.3
437.06735	8.7
455.07867	100.0
456.08066	4.7
481.09314	8.5
601.11584	5.2
619.12781	4.1
632.40302	1.3
661.13611	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	661.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02317	1.0
54.81692	1.1
55.01814	1.1
55.05438	1.2
56.04970	1.6
60.12334	1.1
65.03866	11.4
67.05423	5.0
70.06509	21.9
74.98583	1.0
79.05389	1.2
80.78870	1.0
81.06963	1.3
82.06509	1.5
84.04438	8.4
84.08071	10.1
85.02859	9.3
86.09662	4.7
89.03850	1.5
89.80451	1.1
91.04827	2.0
91.05405	61.1
92.05732	2.1
93.06987	2.5
95.04865	1.5
97.02846	2.9
97.06500	1.6
99.04421	1.3
101.07074	1.2
101.09557	1.4
103.05444	1.2
105.03374	1.7
110.03645	1.5
110.07136	6.9
114.40830	1.1
114.77658	1.4
118.04057	1.3
119.04895	73.0
120.05247	2.6
120.08037	1.7
121.10117	1.7
127.03857	5.3
132.02007	2.1
137.05963	1.8
142.02655	1.7
145.02814	2.3
147.04385	57.2
147.05499	2.3
151.03908	18.4
151.05014	2.2
157.03983	5.9
164.04593	1.6
166.91585	1.2
171.06447	9.2
175.03870	67.0
176.04207	1.8
179.07001	4.9
181.04913	76.5
182.05287	2.7
203.03116	60.9
204.03465	1.3
207.06499	41.8
208.06891	5.4
209.06892	1.5
215.01627	2.4
217.08458	1.3
221.04213	5.7
229.04677	46.6
247.05832	6.8
247.56464	1.2
257.02692	4.7
275.03622	12.0
299.45401	1.2
315.08200	1.6
319.18948	2.4
337.19870	2.8
395.05777	5.4
413.06677	1.7
435.08762	1.7
437.07004	8.2
455.07867	100.0
456.08374	1.6
463.08490	6.1
481.09479	16.9
599.55225	1.5
601.11322	12.2
619.12354	6.3
633.41498	1.7
661.13605	93.5
661.45551	12.2
662.14191	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	662.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27938	0.6
55.05447	0.9
57.06993	0.8
60.08091	9.1
67.05431	1.1
70.35291	0.6
71.07285	5.2
74.66045	0.6
75.06770	0.6
81.06963	1.5
83.48539	0.6
86.09627	43.7
87.09965	0.9
95.08503	1.4
98.98395	3.4
104.10645	3.4
107.44981	0.8
109.10120	1.0
124.99963	33.0
128.89207	0.7
161.09586	1.0
167.41393	0.7
174.98131	0.7
184.07303	100.0
185.07658	1.5
200.90585	0.8
200.92560	0.7
274.51486	0.8
331.88367	0.7
340.67899	0.8
342.44131	0.9
495.29221	0.8
627.97791	0.7
662.43689	9.0
663.46130	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	662.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74048	0.4
52.52854	0.5
53.27480	0.5
56.04971	0.6
57.07023	0.5
60.08090	8.9
67.05422	1.1
71.07295	4.7
79.05391	1.0
81.06956	1.3
83.89868	0.6
86.09624	51.2
87.09958	0.6
98.98403	4.3
104.10686	4.5
124.99955	36.1
143.00969	0.8
184.07294	100.0
185.07664	1.2
494.54721	0.6
644.42480	4.9
662.43268	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	662.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35172	0.8
55.63741	0.9
56.85912	0.9
60.08091	9.7
62.43764	0.8
67.05418	1.4
71.07283	4.7
81.01931	0.9
86.09628	49.7
93.06961	1.2
98.98371	4.6
104.10678	1.9
121.81801	0.9
124.99050	1.2
124.99960	32.4
128.51236	1.0
146.35484	1.1
184.07304	100.0
185.07669	1.8
662.43549	7.5
663.44110	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01828	6.6
55.05446	51.6
57.03377	13.6
64.27982	5.5
67.05432	85.2
68.59918	6.7
69.06982	30.4
79.05399	100.0
81.06959	81.8
83.08552	12.2
91.05418	90.3
93.06971	91.8
95.04893	28.5
95.08537	46.6
97.10121	6.4
105.06978	72.4
107.08539	55.0
109.06452	7.5
109.10095	31.1
114.37022	6.5
117.07004	25.0
119.08533	48.6
121.10089	15.3
131.08542	33.1
133.10101	13.9
136.44012	6.0
141.06990	7.1
143.08519	6.4
145.10124	25.7
147.11624	23.2
149.13269	10.9
157.10112	7.8
159.11655	15.3
173.13165	9.2
185.13223	9.1
187.90056	6.5
227.12825	11.3
239.17888	8.3
256.26123	6.6
257.18915	10.2
275.19980	15.6
335.25888	46.7
349.23776	26.0
609.44666	44.4
663.45032	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	663.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01793	0.3
55.05452	0.2
55.44711	0.2
56.04954	0.4
56.96511	0.2
67.05441	0.4
69.03369	0.3
69.06980	0.4
70.05235	0.2
70.06510	2.8
70.12124	0.2
72.08050	0.6
75.80429	0.3
81.03325	0.6
84.04404	0.5
84.08050	1.5
85.02805	0.4
86.09617	1.2
91.05413	0.7
92.28240	0.2
97.02821	1.2
105.06958	0.3
109.02811	0.5
110.07126	0.5
116.98593	0.3
119.04893	0.5
119.08578	0.3
120.08042	1.2
122.05942	0.4
129.06749	0.3
129.10161	0.3
137.02324	6.2
140.07036	0.3
145.02789	0.5
149.02315	0.3
153.07001	0.5
157.06456	0.6
171.08095	0.6
174.05415	0.3
181.06473	1.1
199.07507	10.4
199.09276	0.5
200.07782	0.4
204.06592	0.6
209.05904	0.4
211.07570	0.2
227.07008	4.4
229.12219	0.5
237.05493	1.5
237.10280	0.3
243.11272	0.3
255.06468	100.0
256.06866	3.1
265.09610	0.4
278.10471	0.5
279.11230	0.4
293.09146	0.4
293.12689	0.3
309.12372	0.5
325.11673	0.4
327.13440	2.0
333.84344	0.3
339.13330	3.8
367.12985	1.9
368.13489	0.6
369.14343	0.4
399.15302	1.1
508.20612	1.4
540.23376	2.4
599.24457	1.4
645.23212	2.4
646.23065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04972	1.0
56.72578	0.7
61.47244	0.7
67.05412	1.1
67.35639	0.8
69.03369	1.2
69.06993	2.0
70.06513	10.7
72.08069	1.0
84.04432	1.9
84.08075	6.4
85.02837	4.7
86.09632	4.0
91.05405	0.9
94.06500	0.9
95.08542	1.4
97.02814	1.8
109.02827	1.0
110.07169	1.8
116.54872	0.9
120.08092	1.7
122.06023	4.1
129.10185	1.3
136.07585	5.3
138.75763	0.9
140.07014	3.4
145.10126	1.3
146.05949	1.1
146.09648	1.9
150.21588	0.9
158.51956	0.9
164.07053	1.6
204.06599	2.1
206.08220	1.0
221.10818	1.3
222.09305	1.0
222.11510	5.3
223.12160	1.1
235.08607	1.9
235.12332	1.3
236.09155	2.0
237.10147	1.9
237.13921	1.2
238.10704	1.0
247.08655	4.4
248.09377	7.7
249.10141	19.5
250.10934	8.3
251.11754	6.9
261.10150	5.9
262.10925	9.2
263.11722	100.0
264.12424	12.5
265.09863	1.2
265.13327	8.6
269.12866	1.4
275.07968	1.2
276.08759	1.5
277.09674	21.2
278.10300	1.9
279.11197	36.6
279.13953	1.8
280.11804	2.2
281.12790	11.2
282.13522	13.3
289.09668	2.3
290.10443	7.8
291.11179	39.7
292.11908	8.9
293.09317	1.4
293.12720	5.0
294.09930	1.4
295.10745	18.9
295.14163	1.9
296.11349	1.5
297.12167	1.6
303.07635	1.6
307.10757	10.2
308.11462	4.9
309.12247	62.1
310.12781	4.0
311.13828	2.2
316.79221	0.9
318.09955	2.3
319.10812	4.1
321.12338	1.2
323.10110	2.3
323.13834	52.2
324.14374	4.4
325.11835	1.0
335.10104	2.1
336.10989	40.8
337.11710	18.7
338.12622	3.9
341.14856	14.2
345.14398	1.8
351.13434	4.8
361.38962	1.1
367.12814	33.1
368.13565	46.5
368.18033	1.8
369.14349	82.2
370.15045	12.6
371.15472	1.2
399.15393	8.9
430.17981	1.2
459.17538	1.2
476.18231	2.0
478.19788	6.4
490.19516	2.0
491.20517	2.2
508.20630	38.7
509.21033	4.6
510.22281	17.1
511.22574	1.6
540.23322	48.5
540.31445	1.9
541.23743	5.6
599.25006	8.7
631.27545	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	663.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	1.7
67.05418	3.5
69.03347	2.1
69.06976	8.9
70.06516	13.4
71.04914	3.1
72.08047	2.0
81.06991	2.0
83.04877	1.8
83.36736	1.4
84.04433	6.6
84.08091	12.1
85.02814	6.6
86.09617	7.0
91.05395	2.0
94.06514	12.7
95.04891	2.3
95.08498	2.2
97.02821	18.1
98.03116	1.5
106.06480	1.6
107.08528	2.1
108.08067	2.4
109.10099	1.6
110.05965	2.1
110.07130	3.6
112.07535	2.4
119.08510	2.1
120.08014	2.5
122.05991	35.1
123.04389	1.7
124.07510	6.5
127.03893	2.9
129.10162	5.4
136.07547	6.3
139.03903	5.9
140.07048	41.9
144.04422	2.3
146.06013	15.9
148.07474	3.4
152.07047	6.9
162.05463	3.5
164.07060	1.8
172.03931	31.0
173.04588	1.7
174.05476	20.4
176.07094	13.8
190.04984	3.2
191.05774	2.4
192.06459	1.7
195.06335	1.5
196.09760	1.6
204.06528	51.5
206.08092	11.8
210.11324	1.6
211.08598	2.3
224.09285	1.7
225.10030	11.8
226.10919	1.8
227.11705	22.5
235.08720	2.6
237.10199	11.8
238.10896	6.9
239.11777	7.5
240.12381	2.3
249.10223	10.6
250.10890	2.5
251.07950	1.8
251.11737	18.7
253.09729	11.3
263.11740	9.1
265.09653	17.1
265.13287	3.4
267.11200	9.4
269.12894	12.5
271.10791	7.5
277.09692	7.7
278.10419	8.4
279.08157	2.2
279.11191	37.1
280.11954	8.3
281.12598	2.6
283.10773	10.8
284.11453	8.6
285.12253	9.7
287.13834	26.6
293.09064	5.9
293.12766	9.0
295.10632	7.5
297.12256	15.0
301.11990	2.5
302.13046	1.7
309.12323	15.8
310.12894	2.6
312.11191	5.3
312.14890	1.9
313.11749	20.5
314.12701	2.6
316.14426	6.0
317.15170	1.7
323.10358	3.0
323.13895	2.6
324.10992	2.1
325.11847	14.7
327.13400	33.4
328.14172	2.9
329.11575	2.7
329.15244	3.4
330.12314	2.5
330.15933	9.1
331.12778	14.1
331.16733	12.8
335.10370	3.0
337.11835	17.8
338.12512	3.3
339.13324	75.0
340.13913	6.5
342.12277	7.1
343.13120	2.7
344.17480	5.9
345.14447	16.1
353.11444	2.8
356.13898	3.0
357.14752	3.4
358.15433	11.4
363.15317	2.4
367.12851	38.6
368.13364	9.3
369.14468	3.7
370.15424	7.2
371.16052	3.4
372.16953	6.7
382.11694	2.2
383.13156	2.7
384.13300	14.1
385.13797	9.7
386.14709	8.8
386.19070	2.2
390.17831	7.8
398.14923	18.5
399.15701	37.1
400.16434	42.1
402.14453	2.3
414.17984	7.3
415.18405	2.1
416.16074	2.8
417.16800	8.7
418.17578	12.3
430.17126	3.1
431.18396	1.8
440.15915	8.2
458.16995	26.6
459.17892	18.8
460.18246	8.0
490.19653	2.6
508.20651	33.2
526.22009	4.9
540.23462	35.7
555.25507	2.3
581.23169	2.2
599.24939	100.0
600.25256	13.2
631.27911	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	663.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69927	1.0
57.00917	0.9
57.07016	69.9
58.51956	0.9
69.79237	0.9
71.99668	1.0
72.83832	1.1
75.30874	1.0
76.93946	1.0
77.29380	1.1
80.87988	1.1
91.05427	7.2
93.02847	1.1
95.04938	1.1
109.76027	1.0
114.40122	1.0
119.08543	1.9
119.68887	1.1
123.98877	0.9
131.23944	1.0
132.09308	1.3
147.11720	10.0
153.06998	2.2
180.06291	1.1
233.03571	5.9
251.04623	18.4
320.43011	1.1
327.07767	100.0
328.07950	2.5
383.13998	59.7
384.13910	1.3
439.20255	68.5
440.20578	2.2
495.26520	48.6
496.27118	2.0
551.32806	37.4
607.39081	43.4
608.39136	2.2
663.45361	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	663.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36940	0.4
55.01815	0.6
55.05450	4.3
57.03373	4.7
57.07012	4.5
67.05424	8.8
69.06992	3.4
71.08551	2.1
79.05402	5.3
81.06966	11.1
83.04908	0.6
83.08542	2.6
85.10104	0.9
91.05399	6.1
92.10930	0.9
93.06966	6.6
95.04910	0.6
95.08528	9.0
97.10113	0.7
105.06979	5.8
107.08550	3.0
109.10128	2.7
111.08073	0.4
117.06969	2.3
119.08527	4.3
121.10131	2.0
123.11568	0.5
129.06955	0.8
131.08557	2.4
133.10115	2.3
139.91930	0.5
143.08510	0.8
145.10120	3.0
147.11679	2.3
157.10085	0.8
159.11673	1.9
161.13210	0.8
173.13248	0.6
185.13251	0.6
186.52776	0.5
239.18005	0.6
257.19000	0.9
275.20145	1.8
313.27368	2.7
333.20432	1.8
337.27209	6.2
349.23779	1.8
351.21384	11.6
352.21844	0.8
407.23990	8.8
487.14319	0.5
514.98926	0.5
611.46649	2.5
663.47919	100.0
664.48138	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	664.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18945	0.4
55.05439	1.3
55.48154	0.4
57.07016	0.5
60.08097	9.1
63.62114	0.5
67.05424	0.7
71.07291	4.4
74.71613	0.5
76.30601	0.5
79.67305	0.5
81.06989	1.0
86.09629	50.0
98.20471	0.6
98.98388	3.6
104.10667	3.9
109.11980	0.5
124.99033	0.9
124.99964	33.2
184.07303	100.0
185.07614	1.0
196.01985	0.5
233.18935	0.6
373.02356	0.7
462.55566	0.8
577.36829	0.6
664.45508	7.0
665.43463	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60988	0.4
54.81403	0.5
56.04978	0.6
57.07010	0.8
60.07822	0.6
60.08095	9.9
67.05443	0.5
71.07283	5.3
77.85786	0.4
86.09624	52.9
93.06940	0.6
95.08505	1.8
98.98369	4.4
104.10665	3.0
124.99958	35.5
130.80363	0.4
133.10016	0.5
143.01035	0.5
164.11589	0.5
184.07295	100.0
185.07605	0.7
664.45624	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	664.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41014	0.6
56.04927	0.6
58.35692	0.5
60.08091	9.4
67.05427	0.8
69.24689	0.6
71.07278	4.1
86.09627	45.7
87.09951	0.8
98.98400	3.8
103.91096	0.7
104.10675	2.7
107.08672	0.6
124.99956	30.4
138.33099	0.6
164.62843	0.7
175.56398	0.5
184.07298	100.0
185.07491	0.7
232.03897	0.7
237.06125	0.7
240.82576	0.6
573.89667	0.8
628.49792	0.8
664.45459	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	664.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	1.8
53.03882	2.6
55.01817	2.6
55.05450	38.1
57.03135	1.3
57.03382	21.1
57.07010	5.3
57.22630	1.2
65.03864	5.6
67.05429	100.0
69.03345	1.8
69.06991	37.8
71.04906	2.7
71.08560	1.2
73.06451	1.2
79.05409	75.7
81.06976	89.9
83.04908	8.1
83.08545	16.3
85.06456	2.9
91.05408	51.9
91.24598	1.6
93.06974	56.5
94.07275	1.3
94.45048	1.2
95.04900	8.8
95.08530	60.7
97.06476	7.1
97.10105	16.5
99.08035	2.8
103.05408	2.2
105.04519	1.4
105.06969	46.3
107.04900	2.1
107.08543	48.2
109.06484	7.7
109.10107	24.6
111.08070	1.8
117.06970	18.7
119.08539	34.7
121.06491	1.8
121.10110	22.8
123.08016	1.4
123.11667	5.5
125.09605	7.5
128.06216	1.8
129.06989	8.8
131.08524	26.8
131.09425	1.8
133.10091	21.6
135.08003	2.4
135.11700	7.9
137.09615	2.8
139.11130	2.0
141.06990	1.7
143.08525	9.7
145.10088	21.5
147.11700	13.7
149.09583	2.7
149.13248	2.8
155.08591	3.3
157.10138	7.3
159.11656	15.2
161.13165	2.9
169.10115	2.1
171.11574	2.2
173.13234	6.5
177.12781	1.6
183.11659	3.1
185.13167	4.7
189.11285	6.1
197.13228	2.3
203.14354	2.7
227.12741	15.1
239.17931	2.1
241.14288	6.3
257.19009	8.6
275.20029	17.9
276.20123	1.5
299.90948	1.7
331.22418	1.6
337.27298	43.2
337.30975	2.4
349.23538	16.2
489.35638	2.9
499.55154	1.5
503.37405	1.9
507.36722	1.7
547.20752	1.5
611.46716	32.7
612.46844	4.9
629.47168	1.8
664.46484	1.4
665.49097	7.9
671.27795	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25499	0.1
53.03877	0.6
55.01803	0.5
56.04964	0.1
56.96494	0.1
57.03379	0.9
57.88069	0.1
61.02844	0.7
62.01199	0.1
68.99692	0.6
69.03352	4.1
70.06510	2.1
71.04898	0.4
72.08068	0.1
72.41956	0.1
73.02823	0.7
81.03338	3.3
84.04424	0.7
84.08066	0.6
85.00341	0.1
85.02824	5.8
86.09639	0.2
87.00760	1.6
87.04384	0.2
91.05386	0.5
93.04443	0.2
93.06963	0.1
97.02826	1.8
99.04382	0.9
103.03880	0.3
104.20039	0.1
105.01782	0.6
105.06980	0.1
109.02828	2.3
110.07096	0.6
115.03838	0.1
117.01789	0.1
119.04916	0.4
120.08039	0.3
121.02813	0.2
126.05492	0.1
127.03870	3.5
127.04790	0.2
129.01799	0.3
129.06966	0.2
129.10255	0.2
130.05008	0.1
133.02774	0.1
134.99547	0.1
137.02310	3.7
145.02835	0.8
145.04948	0.6
149.02290	0.1
153.06978	0.6
157.06444	0.5
159.02870	0.4
171.08044	0.5
176.88196	0.1
181.05064	0.1
181.06424	0.9
191.10695	0.1
199.07520	6.2
209.05933	0.2
209.11787	0.3
211.07515	0.2
223.06383	0.3
227.06999	3.1
227.12592	0.3
237.05397	1.9
238.05956	0.2
239.06990	0.2
250.06023	0.1
251.06961	0.1
253.04849	0.1
255.06458	100.0
256.06802	3.6
265.07449	0.5
279.06375	0.9
280.06760	0.1
281.04056	0.2
283.05737	0.4
283.08542	1.2
291.06601	0.2
293.07785	0.1
297.07553	2.6
307.08490	0.2
309.07547	0.1
321.07520	0.3
417.11667	2.4
427.12628	0.5
459.12579	0.5
485.10773	0.5
503.11752	11.5
504.12183	1.0
665.17218	1.3
666.17169	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	665.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.7
54.81347	0.1
55.01815	0.9
56.04957	0.2
56.96513	0.1
57.03363	0.6
59.72118	0.1
61.02842	0.5
65.18867	0.1
68.99701	0.8
69.03349	4.5
70.06178	0.1
70.06511	1.9
71.04910	0.4
73.02828	0.6
81.03342	3.6
83.06009	0.1
84.04435	0.9
84.08066	0.6
85.02831	5.8
86.09637	0.3
87.00753	1.9
91.05418	0.5
91.37845	0.1
92.10900	0.2
97.02827	2.1
99.04390	1.3
101.02341	0.1
102.05493	0.2
103.03854	0.5
105.01800	0.7
109.02827	2.5
110.07118	0.4
112.08669	0.1
115.05400	0.1
116.07087	0.1
116.98591	0.1
117.01837	0.2
119.04884	0.5
127.03887	2.9
129.01785	0.2
129.06984	0.3
129.10162	0.2
130.05029	0.1
131.08502	0.1
133.02812	0.2
134.99643	0.1
136.07480	0.1
137.02310	4.4
145.02861	0.9
145.04921	0.5
149.02318	0.2
153.06985	0.6
157.06522	0.6
159.02870	0.5
165.06937	0.1
171.07997	0.5
181.04962	0.2
181.06396	1.1
195.07936	0.1
199.07515	6.1
209.05937	0.2
210.06781	0.1
211.07486	0.1
223.07639	0.1
226.06241	0.1
227.07014	3.7
237.05405	2.3
239.06992	0.7
251.06912	0.1
253.05037	0.1
255.06473	100.0
256.06836	3.2
265.07462	0.2
267.06345	0.3
279.06424	1.4
283.08655	0.9
291.06583	0.2
291.52484	0.1
293.08130	0.2
297.07513	2.8
307.08618	0.2
321.07547	0.5
324.37531	0.1
325.09409	0.2
339.08658	0.1
351.08612	0.1
353.21664	0.1
375.51117	0.1
417.11725	2.5
427.12576	0.1
459.12509	0.2
485.10495	0.7
497.70547	0.1
503.11755	12.0
504.11896	0.5
665.17047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22901	0.1
50.86596	0.1
53.03882	0.2
53.10750	0.1
55.01808	0.5
57.03374	0.7
58.28980	0.1
59.53827	0.1
61.02596	0.1
61.02859	0.9
68.99706	0.1
69.03349	2.9
70.06519	0.8
71.01276	0.1
71.04898	0.2
73.02822	0.6
73.76899	0.1
81.03339	1.1
84.04400	0.1
84.08072	0.1
85.02824	6.9
87.04372	0.3
91.05408	0.7
93.48359	0.1
97.02825	1.7
99.04366	0.5
101.02311	0.4
103.03873	0.2
103.82938	0.1
109.02837	0.8
110.07071	0.1
114.37737	0.1
115.03871	0.2
116.98543	0.1
119.04878	0.5
121.02751	0.1
121.52785	0.1
127.03864	0.9
129.06978	0.5
131.04878	0.1
131.08551	0.1
133.02844	0.4
137.02310	4.5
143.08540	0.1
145.02835	0.9
145.04933	0.1
146.05948	0.1
149.02315	0.3
153.06970	0.5
157.06445	0.8
170.06021	0.1
171.08023	0.4
181.06450	1.5
183.07942	0.1
185.05972	0.2
193.10922	0.1
195.07936	0.1
199.07510	7.8
200.07892	0.2
209.05936	0.5
211.07512	0.1
215.02353	0.1
223.07716	0.1
225.05312	0.1
227.06970	3.9
237.05406	2.8
238.05957	0.1
239.06999	0.5
251.06801	0.1
253.04927	0.2
254.05650	0.2
255.06464	100.0
256.06818	2.9
279.06442	1.1
283.05872	0.1
291.06485	0.1
293.08228	0.2
297.07532	3.4
309.07538	0.1
321.07559	0.5
417.11700	15.4
418.11829	0.9
427.12622	0.2
466.52066	0.1
503.11703	0.6
665.17126	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81541	0.3
55.01801	0.3
55.05451	0.4
56.16341	0.4
56.70947	0.3
57.25128	0.3
58.88015	0.3
59.37530	0.3
67.05414	2.3
68.04951	0.8
69.06979	6.7
70.06522	0.4
72.44463	0.4
79.05405	0.7
80.04913	0.8
89.03835	0.3
93.05683	0.5
94.06487	11.1
95.04894	1.8
97.06474	0.5
101.62472	0.4
106.06499	0.6
107.73730	0.4
108.08057	3.3
110.05969	1.6
112.07559	2.2
114.57694	0.4
116.04942	2.2
118.06504	0.9
120.04380	0.6
120.08047	0.9
121.05177	0.7
122.05976	38.4
123.04368	1.7
123.06295	0.5
132.08086	0.4
134.05981	2.6
136.07570	0.6
138.05470	0.5
140.07033	46.7
144.04449	3.7
145.05157	0.5
146.05975	19.3
147.06764	2.0
148.07524	3.2
152.07079	1.8
160.07590	1.8
162.05450	3.7
163.06236	1.4
166.08624	0.6
172.03886	33.8
173.04665	2.8
173.07060	0.4
173.10826	0.4
174.05455	24.0
174.09166	0.6
175.06026	0.7
176.07025	15.9
177.07663	0.6
182.15457	0.5
184.11270	0.5
187.12288	1.6
188.07024	0.9
190.04941	6.4
191.05705	4.8
192.06474	3.5
197.07057	0.5
197.10745	1.7
198.07671	0.7
198.09151	1.9
198.11470	0.6
199.08623	2.9
200.09337	0.7
201.03818	0.4
201.10199	1.6
203.11800	0.4
204.06517	51.2
205.06941	1.8
206.08096	12.0
209.10701	0.6
210.11446	0.6
211.08598	3.0
211.12267	1.6
212.09438	1.9
213.10147	4.4
214.08734	0.4
214.10892	1.8
215.11795	5.4
215.59610	0.4
216.10255	0.6
223.08498	0.4
224.09294	0.7
225.06921	0.5
225.10173	5.2
226.08580	1.8
226.10989	1.9
227.08141	0.7
227.11792	2.3
228.10330	0.5
228.12514	0.5
229.09334	0.4
231.11194	0.6
236.09370	0.7
237.10115	3.1
238.10869	1.5
239.08336	0.7
239.11795	3.4
240.12502	0.4
241.09547	3.5
243.11226	22.1
244.09441	0.5
248.09523	0.5
249.10278	1.7
250.10861	0.7
251.08122	0.4
251.11868	2.7
252.09015	0.7
252.12352	0.8
253.09662	2.1
254.10498	0.8
255.11308	2.6
256.12009	1.5
257.09103	0.9
257.12823	0.9
259.10696	4.1
260.11038	3.1
263.08206	2.0
263.11676	0.7
264.08871	1.8
265.09631	5.4
265.12335	0.5
266.10452	1.0
267.11206	3.1
269.09067	3.7
270.09869	0.7
271.10776	4.0
271.67154	0.5
272.11517	0.8
273.12323	0.9
277.09644	0.9
277.13013	0.4
278.10391	0.8
279.11133	3.0
280.12057	0.9
281.09219	1.5
281.12653	0.7
283.10687	7.9
284.11273	2.8
285.12274	19.5
287.10318	5.0
287.13904	2.2
288.11185	0.5
290.12784	0.7
291.11176	0.8
295.10641	1.6
296.11606	0.7
297.12378	0.9
298.13010	1.5
299.10318	2.6
299.13586	1.0
301.11697	4.6
302.12354	3.5
302.16208	0.6
303.13330	36.4
304.14316	3.1
305.15253	0.8
311.10413	0.8
313.11749	29.6
314.12445	0.8
314.16339	0.8
315.13998	0.6
316.10751	2.4
316.14505	2.5
317.11627	0.8
317.15195	2.6
318.12732	0.7
318.15952	5.7
319.16705	4.2
323.10324	2.5
323.13672	0.5
324.11328	1.2
325.11737	1.4
326.12967	0.8
327.10779	0.5
328.11176	0.6
328.14761	0.6
329.11795	1.9
330.12372	5.8
330.15881	1.0
331.12915	12.1
331.16592	0.7
332.13785	2.2
332.17548	1.5
339.13498	0.6
340.14563	0.6
341.12152	0.6
342.12387	1.0
342.16138	0.9
343.13617	2.2
344.13879	4.9
344.17642	0.5
345.14407	23.2
346.15408	8.1
347.16284	6.3
348.16992	0.6
354.12363	0.7
355.13226	0.8
356.14017	2.3
357.11038	0.6
357.15167	1.5
358.11664	2.5
358.15543	5.4
359.12238	0.6
359.16217	1.7
360.13409	0.6
360.17133	5.9
363.15536	2.8
368.13919	1.7
370.11743	2.2
370.15665	1.9
371.12280	3.8
372.13196	9.4
372.17139	1.3
373.13876	5.9
374.14752	6.9
376.16678	1.7
378.18082	2.0
379.18707	0.6
382.15506	0.7
384.17017	1.9
385.13721	2.8
386.14899	14.0
387.15710	11.6
388.16495	8.4
390.18365	0.7
396.13403	0.9
398.14886	0.6
400.12222	0.7
400.16556	2.0
401.13391	1.8
401.17896	1.1
402.13599	3.4
402.18237	2.1
403.15253	0.6
404.15900	4.8
405.16855	3.2
406.17514	8.1
407.18582	0.6
408.19327	0.6
410.15060	0.5
414.14252	11.0
414.18912	0.5
415.15128	22.4
416.15921	33.4
417.16345	2.2
418.12921	0.6
418.17599	2.0
419.18539	0.8
428.16064	2.9
429.16641	2.9
430.17651	8.3
431.18042	1.7
432.15298	4.2
433.16174	6.0
434.16968	5.7
438.14319	0.8
446.16949	10.9
447.17770	5.1
456.15286	6.3
457.16156	1.7
458.17047	2.0
460.14862	2.4
474.16525	24.8
475.17233	11.4
476.17966	5.2
477.18927	0.8
506.19147	3.9
507.20102	1.6
571.25293	1.5
573.23315	2.3
597.23645	4.3
615.24341	100.0
616.24670	8.8
633.25446	0.6
647.26947	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	665.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47623	0.6
63.34161	0.6
69.06996	1.4
76.87286	0.6
84.04416	0.7
94.06483	2.9
122.05979	8.1
136.07552	1.3
140.07028	8.1
146.05998	4.9
146.09639	1.2
148.07568	1.2
162.05504	0.7
162.84198	0.7
164.07027	1.1
172.03909	11.0
174.05498	3.0
176.07079	3.4
190.04898	0.9
192.06622	0.9
204.06537	16.0
206.08113	3.4
215.11905	0.9
221.10776	1.2
222.11523	0.7
223.12239	0.8
225.10425	0.8
237.10143	2.6
237.13770	1.4
238.11002	1.1
239.11861	1.3
243.11346	2.9
247.08594	1.1
248.09349	5.1
249.10182	18.7
250.10796	3.5
251.11705	5.3
261.10156	3.9
262.10944	6.3
263.11719	100.0
264.09515	1.1
264.12357	9.4
265.09787	2.6
265.13275	8.9
269.09271	0.8
277.06647	0.8
277.09647	21.6
277.12497	1.3
278.10120	1.3
279.08072	0.9
279.11215	28.6
280.11926	3.6
281.12704	3.9
282.13409	0.8
285.12323	1.4
287.10291	0.9
289.09488	1.1
290.10358	7.7
291.11188	42.7
292.11905	9.4
293.09348	0.9
293.12918	1.6
295.10715	18.1
295.13974	1.0
296.11450	0.8
297.12161	0.9
299.10602	1.1
301.12173	0.8
303.07578	3.6
303.13269	7.2
307.10715	5.4
308.11411	3.3
309.08710	1.7
309.12262	42.7
310.12955	4.5
311.13803	4.5
313.11780	2.8
318.10080	6.9
319.10599	1.0
323.13824	63.6
324.14362	4.9
325.12027	0.9
331.12787	1.1
335.10278	1.4
336.10956	47.1
337.11789	16.5
338.12634	4.8
341.15070	1.0
344.13858	0.9
345.14282	4.5
346.15683	1.3
353.11490	1.2
354.11978	3.0
355.12939	6.3
356.13657	1.3
360.17203	1.0
367.12762	23.1
368.13553	39.4
369.14346	40.7
370.15189	15.4
372.13461	1.3
373.14267	0.9
374.14709	1.0
386.14795	1.5
387.15695	2.7
388.16525	1.3
401.13422	1.2
406.17627	1.6
414.14594	3.1
415.15329	5.0
416.15982	7.5
430.17471	1.2
434.17218	2.5
446.17120	2.7
447.17880	0.9
474.16321	4.7
475.17126	3.3
476.17798	2.8
478.19742	11.5
489.18649	2.7
493.18185	1.4
494.18881	4.7
507.19781	1.4
508.20685	46.6
509.20825	4.4
510.15097	1.3
510.22214	28.7
525.20453	0.8
526.21832	4.7
597.22736	1.4
615.24353	22.3
629.25836	1.5
633.25043	3.8
647.27283	5.3
665.27319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	1.4
55.05193	0.6
55.05455	2.9
56.04979	0.7
56.96499	0.8
65.03864	4.5
67.05158	0.5
67.05435	7.4
69.03342	1.4
69.07001	4.3
70.06511	7.6
72.08068	0.8
72.37572	0.5
79.05397	2.4
81.03337	0.7
81.06977	2.7
83.04900	0.9
83.06007	0.6
84.04420	4.9
84.08073	8.7
84.23315	0.5
85.02823	3.0
85.06474	0.6
86.06026	0.7
86.09628	1.3
88.39086	0.5
91.05415	6.0
93.03337	5.1
93.06989	0.7
94.06512	4.7
95.04905	1.3
95.06033	0.8
95.08537	10.8
97.02828	100.0
97.06441	0.9
100.11193	1.3
101.07082	0.7
102.05480	0.7
105.06993	2.4
107.04869	1.4
107.08525	1.0
109.02801	0.7
109.06481	1.2
109.10107	1.2
110.05993	0.8
110.07129	4.6
111.04425	1.1
112.07541	0.9
117.06993	0.7
118.06485	0.7
119.04905	15.6
119.08516	2.4
120.04469	0.7
120.08098	1.2
121.02840	2.8
121.06499	0.9
121.10078	1.1
122.05996	15.9
123.08038	2.5
123.66064	0.5
124.07542	6.7
125.02338	0.6
127.03889	1.3
128.06267	0.8
128.07100	0.8
129.07004	0.9
129.10208	3.8
131.04915	0.6
131.08578	4.7
133.10117	1.3
134.05963	1.1
135.04372	0.8
135.11687	0.9
136.07570	3.0
137.05937	0.7
137.09634	0.9
140.07043	11.2
141.06970	3.5
142.08571	0.5
143.08589	0.7
144.04565	1.1
144.05704	3.3
146.06000	15.4
147.04395	70.6
148.07561	2.1
149.02322	4.4
149.09570	6.0
150.05476	0.6
153.06999	1.3
154.05080	0.6
157.06467	3.2
158.07205	0.6
159.04440	0.8
159.08032	19.0
159.09061	0.8
160.07474	1.3
161.09576	1.2
161.13278	0.8
162.05385	1.0
162.09148	1.0
165.12721	0.8
167.03384	10.9
169.06429	8.1
170.11496	0.5
171.07982	1.1
172.03909	4.2
172.07536	0.8
174.05484	9.4
174.07785	0.6
174.09119	1.0
182.15417	1.1
184.07491	1.3
185.05884	1.0
186.09137	3.3
187.07454	8.1
188.07059	2.9
189.12740	1.1
190.04893	1.0
190.08611	1.3
191.05731	1.1
192.06470	0.9
197.05946	9.3
199.08647	0.9
200.07101	4.8
200.10704	0.9
201.00757	1.1
201.10185	0.6
202.08650	0.6
202.11046	0.8
203.11728	3.1
204.06528	8.9
206.08128	4.0
207.13728	5.1
209.10818	1.1
210.14903	2.4
211.08713	0.9
212.07129	1.0
213.10167	1.3
214.05045	0.9
214.08676	5.5
214.10541	0.7
215.06787	7.7
215.11710	0.7
216.06645	1.0
225.10147	0.9
227.08084	3.4
227.11685	2.1
228.06543	8.5
228.10226	3.0
229.09706	2.4
230.08110	1.0
231.11272	3.0
237.02959	0.7
237.10112	2.7
238.08662	0.9
238.10857	0.9
239.08032	1.0
239.11694	1.2
241.09679	3.0
242.08075	4.0
243.06549	2.6
243.11150	4.3
244.06044	3.6
244.09714	1.4
245.12831	0.7
249.10164	3.4
250.10773	1.3
251.08078	2.9
251.11729	0.9
252.09091	0.7
253.09720	3.9
253.13191	0.8
254.10439	1.2
255.11237	3.9
256.06021	6.0
256.09521	0.8
257.09100	1.1
258.07556	3.0
259.10736	33.7
261.07535	24.5
261.09888	1.0
263.11777	3.5
265.09637	5.6
266.07809	0.9
267.11215	3.3
269.09198	4.2
269.12854	1.3
271.10629	1.3
273.12234	4.2
277.09744	0.9
279.08282	3.8
279.11252	4.5
281.09045	3.1
281.12695	2.9
283.10724	3.4
284.05490	4.3
285.09177	0.8
285.12259	5.8
286.07074	4.4
287.10187	1.2
288.08469	0.9
289.09515	0.8
291.11224	1.4
293.09219	4.1
294.10205	0.9
295.10730	3.4
296.11438	0.7
297.08984	0.8
297.12326	3.9
301.11780	24.0
303.13458	3.2
307.10770	2.8
309.12350	4.8
311.10181	4.6
313.11758	4.4
316.08066	7.1
317.08636	1.1
318.09579	1.4
319.09482	1.2
319.12836	22.4
321.08707	2.2
323.13867	1.2
325.11795	7.1
327.13480	4.8
329.11407	3.6
331.12854	1.2
335.10202	3.2
337.14343	6.7
339.09702	4.8
341.87509	0.6
342.12140	0.7
343.13062	1.3
345.14240	3.1
353.11279	12.3
354.11963	1.2
355.13254	1.0
356.13788	0.8
358.15445	1.0
368.13544	1.1
369.14401	1.2
371.12244	4.6
373.13504	1.0
385.13977	6.4
386.14749	1.0
396.13104	0.8
403.14996	4.9
414.14398	2.9
415.15176	1.0
416.16095	1.1
428.15778	1.5
446.16867	4.2
448.18332	1.0
456.15375	3.7
457.16077	5.8
463.75427	0.7
468.20786	0.7
474.16434	7.2
475.16943	2.4
476.17825	2.1
480.17163	2.4
488.17737	0.9
489.18512	2.4
490.19373	0.9
492.17569	2.8
494.19199	5.4
506.19098	21.0
507.19199	3.8
508.20255	2.6
512.20044	0.9
524.19574	2.5
597.23328	7.7
615.24304	15.7
616.24725	0.9
622.45404	0.8
629.25146	3.4
633.25507	4.5
647.26752	5.7
665.28583	0.9
665.49115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.6
55.01802	0.4
55.05451	1.2
56.70687	0.3
57.03363	0.8
57.06993	0.3
61.02856	0.3
67.05441	3.7
69.03360	3.1
69.06978	0.5
70.06510	1.8
71.01276	0.5
71.04918	4.6
72.08061	0.3
73.02821	0.4
73.77585	0.3
79.05426	0.5
81.03324	2.3
81.06982	2.4
83.04905	1.7
83.08499	0.4
84.08061	0.5
85.02831	7.7
85.06472	2.0
86.09621	0.8
91.05403	0.7
93.06963	2.2
95.01277	0.6
95.04861	0.5
95.08533	17.9
97.02823	100.0
98.03152	0.8
99.04374	0.6
101.02339	0.7
103.03905	0.3
103.05408	7.3
103.43611	0.3
105.06956	1.5
107.08533	2.8
109.02831	3.4
109.06441	0.6
109.10103	1.9
111.04382	0.5
113.05959	1.6
115.05407	0.7
119.08538	3.8
121.06452	0.4
121.10094	2.4
123.08011	5.4
123.11686	0.7
127.03857	3.8
128.06181	5.9
129.05464	0.7
129.06894	0.4
131.04889	31.1
133.10089	1.6
135.11700	0.8
137.09557	0.4
141.01839	1.6
141.06969	2.9
143.04913	0.4
143.07423	0.7
143.08542	18.8
145.04938	1.5
145.10103	0.6
147.08090	0.7
147.11694	1.5
149.09596	8.2
153.06953	5.5
155.08565	2.3
157.09982	0.4
161.13243	1.8
163.11145	0.6
165.12724	1.4
169.05130	0.4
169.06415	2.3
171.08000	4.7
171.11617	0.6
173.13231	0.7
177.00592	0.4
179.14291	0.4
181.06465	4.8
184.07378	0.5
187.06003	1.4
189.12695	2.6
199.07498	7.9
207.13768	9.8
209.05908	0.4
227.07042	3.8
245.08037	29.3
246.08293	0.5
246.11865	0.4
263.09061	6.2
430.20889	0.3
505.72946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	4.4
54.81093	4.0
55.05437	23.2
57.06997	6.5
61.02843	4.4
67.05431	40.2
67.23384	3.2
69.03330	16.1
69.06976	44.8
70.06491	5.9
71.04900	4.0
71.08533	4.2
74.84871	3.7
79.05402	6.9
81.03330	8.8
81.06974	83.9
83.08515	23.5
84.04387	3.6
84.08069	4.5
85.02827	53.5
86.09643	5.3
92.10851	6.0
93.06956	17.2
95.04901	5.8
95.08524	93.1
97.02825	20.6
97.10085	20.6
99.04376	35.5
103.03871	53.0
105.06973	4.1
107.08527	25.7
109.02805	15.3
109.10111	100.0
111.11678	6.0
121.10061	20.1
123.11624	32.7
127.03873	63.6
135.11653	20.0
137.13217	14.1
140.67932	3.4
145.04913	7.7
149.13228	7.1
151.14842	4.3
163.06006	5.0
163.14778	4.5
191.17842	3.8
235.82657	3.6
261.25668	16.6
279.26688	20.2
289.25262	16.8
307.10135	5.3
307.26233	44.1
308.32263	4.4
697.96124	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03337	1.4
61.62632	1.2
67.05425	2.4
75.20767	1.4
79.05408	2.4
80.05762	1.3
95.08555	1.8
98.53521	1.3
102.80864	1.4
107.08559	2.1
121.84621	1.5
123.26153	1.3
143.26604	1.4
191.94308	1.4
212.00670	1.4
238.40535	1.5
434.22925	1.4
446.22821	1.8
453.33167	1.5
490.29327	5.8
610.35315	10.6
611.35406	1.7
666.41113	100.0
667.41272	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	666.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	0.5
56.04957	1.0
57.06997	0.4
58.06533	0.3
60.07789	0.3
60.08092	8.6
62.93884	0.2
67.05408	0.3
71.07290	4.1
79.05392	0.5
81.06955	0.3
86.09622	42.1
87.09972	0.3
93.06921	0.4
95.35168	0.2
97.10100	0.3
98.98389	3.7
103.99590	0.2
104.10668	2.3
121.10096	0.3
124.99956	29.5
143.00940	0.3
148.26570	0.3
154.09966	0.2
184.07294	100.0
185.07605	1.3
301.85126	0.2
417.01419	0.2
476.47516	0.3
525.37494	0.5
666.32477	0.4
666.43219	9.1
667.43506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20229	0.2
53.48040	0.2
55.05440	0.5
56.04964	0.7
57.06996	0.5
58.06522	0.3
60.08099	10.6
63.27887	0.2
67.05424	0.6
68.32881	0.3
71.07005	0.2
71.07300	4.1
71.08569	0.3
79.05399	0.3
81.06929	0.5
81.16554	0.3
86.09633	53.1
87.09956	0.7
98.98394	4.7
104.10683	3.5
116.79048	0.3
124.99972	38.2
126.00272	0.4
128.76236	0.4
143.01042	1.2
163.40338	0.3
184.07315	100.0
185.07695	2.9
200.48337	0.3
467.18823	0.4
666.46826	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	666.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39551	1.3
53.03882	2.5
53.62124	1.5
54.51875	1.4
55.01804	3.7
55.05449	52.2
55.99590	1.4
57.03372	8.4
57.07003	2.9
67.05427	88.2
68.05792	1.7
69.03345	4.2
69.06985	26.7
71.04900	2.0
71.08543	18.9
79.05410	38.3
81.06971	73.5
83.04910	6.9
83.08525	26.9
91.05397	20.1
93.06967	35.3
95.04900	4.0
95.08527	45.5
97.06453	2.0
97.10096	63.1
99.08031	10.5
105.06960	21.7
107.08527	33.8
107.09197	1.9
109.10094	23.2
111.08067	2.5
112.00384	1.4
117.06966	2.1
119.08546	9.6
121.10103	10.7
123.11678	2.3
125.09588	46.8
129.06960	1.6
131.08556	3.7
133.10092	15.3
135.08020	3.6
135.11647	3.7
143.08519	2.0
147.11705	7.5
151.11166	3.3
153.09073	2.1
159.11723	1.7
163.11067	3.2
165.24933	1.7
171.10109	3.0
179.14384	2.1
189.11180	18.3
209.47897	1.8
227.12733	100.0
227.14894	3.9
228.12993	2.1
261.79297	1.6
263.23535	2.4
277.21594	10.8
337.27222	16.7
338.27505	2.5
351.25226	19.8
435.34250	2.3
507.36551	10.9
515.40826	3.4
613.39032	2.7
613.48145	42.2
614.48297	3.4
631.48480	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	667.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14831	1.8
50.21285	2.4
54.02594	2.1
55.05429	2.3
63.69624	2.0
66.60734	2.2
67.05412	5.0
69.03305	2.1
69.06985	55.9
70.06495	13.2
79.05397	3.8
81.03342	2.9
81.06960	4.5
84.04410	10.7
84.08070	9.2
85.02840	8.2
86.09621	4.1
91.05385	5.1
94.06488	3.5
95.04906	4.6
95.08526	3.9
96.08080	2.5
97.02811	5.3
105.06924	2.6
106.06487	10.8
107.08496	4.3
108.08070	11.2
110.05960	5.1
119.87797	2.4
120.08074	4.1
122.05984	16.8
122.09543	2.4
124.07558	48.5
127.03881	21.4
129.10201	9.0
133.10103	3.4
134.05974	3.1
136.07536	30.6
138.05521	4.8
140.07043	80.6
146.05994	20.6
148.07581	17.8
150.09093	10.1
152.07045	65.2
158.05994	2.6
158.99878	2.6
162.09053	3.9
164.07060	29.6
166.08606	66.2
172.03874	16.0
172.07465	2.9
174.05438	5.7
176.07025	9.6
182.08055	4.8
190.04990	3.9
197.10718	3.4
204.06502	20.2
206.08092	5.1
209.10536	4.5
210.11566	3.3
211.12317	4.6
213.10135	3.3
218.08130	5.7
222.11423	2.8
223.12241	11.7
224.12982	3.1
225.10158	11.2
226.08557	2.7
226.10835	3.4
227.11748	11.3
229.13284	5.1
236.09251	5.4
237.10121	25.3
237.13832	5.4
238.10893	11.0
239.11720	29.2
240.12523	2.6
243.11203	11.2
249.10104	9.8
250.10899	9.1
251.11755	30.9
252.12390	4.7
253.13194	10.8
255.11168	5.2
261.12430	4.0
262.10724	2.9
263.11627	18.5
264.09940	3.3
264.12433	19.9
265.09628	11.0
265.13263	31.0
266.10425	3.8
267.11169	21.3
268.11884	3.6
269.12808	18.8
271.10556	3.5
271.14227	5.5
273.12329	3.3
277.09625	4.2
278.10425	2.9
279.11246	49.5
280.11862	4.7
281.12827	12.0
283.10760	5.5
285.12234	11.2
285.15399	2.6
287.13751	14.3
291.11157	5.1
292.12030	3.9
293.09067	3.8
293.12799	15.6
294.09921	13.0
295.10648	21.0
295.13754	2.8
296.11539	16.5
297.12299	93.7
297.15604	3.0
298.13110	20.0
299.13690	9.1
303.13580	4.4
309.12296	42.8
310.13055	23.8
311.10464	5.7
311.13818	41.2
312.14508	4.2
313.11740	22.9
313.15399	8.8
315.13348	3.6
321.12161	14.8
323.10187	4.6
324.10443	2.8
325.11826	2.8
329.11295	2.9
329.14877	4.4
330.12393	4.3
330.16138	3.2
332.13736	5.5
337.11731	20.2
338.12338	10.5
339.13354	25.6
344.17551	3.1
345.14429	3.1
346.15280	3.5
355.12735	4.9
358.15497	4.8
359.16013	3.9
360.17139	19.7
361.17554	3.7
369.14301	3.8
370.14813	2.7
371.16003	4.6
372.16977	8.9
373.17719	2.8
374.18744	22.5
386.18436	3.5
387.19604	3.5
388.16245	8.1
392.19489	13.1
398.18546	2.9
399.15729	3.6
400.16351	4.2
402.18124	4.8
416.19589	13.7
417.16525	11.7
418.17352	12.0
420.19193	31.2
432.19150	100.0
433.19196	4.8
434.20645	61.7
435.21164	4.0
437.19281	4.0
438.19788	3.4
442.17386	2.7
444.19153	16.4
446.16809	15.6
450.20135	20.6
452.21738	65.5
453.22052	3.6
460.18661	53.9
461.19095	3.3
462.19952	12.9
464.18317	4.5
476.18338	2.8
478.19611	55.9
480.21234	2.7
492.21118	33.9
496.21017	7.6
510.22437	28.6
581.23804	11.6
599.24731	28.0
617.25952	71.0
635.27051	61.1
636.27466	3.3
649.28851	21.1
667.29163	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45836	0.4
54.21228	0.4
54.36912	0.4
61.46547	0.5
68.24438	0.4
69.06992	1.7
70.06517	2.0
74.22656	0.4
84.08057	0.7
86.09644	0.5
90.05485	0.6
91.05399	0.5
94.06482	1.0
95.04910	0.5
102.98856	0.4
106.06512	0.7
110.07150	0.7
117.03358	0.8
122.05974	2.8
134.05971	0.5
136.07559	13.6
136.55299	0.5
137.02286	0.5
137.36627	0.5
138.05441	0.8
140.07040	5.0
144.75018	0.5
145.02841	1.0
146.06033	2.3
146.09639	1.0
151.03877	0.7
154.08691	0.5
162.05536	0.5
164.07036	16.3
164.17050	0.4
166.08618	4.8
172.03969	2.9
172.24582	0.5
176.06978	0.9
177.05402	2.3
192.06404	0.5
193.08315	0.5
204.06590	3.6
206.08195	1.0
209.10454	0.6
210.11482	2.3
218.08185	0.5
222.11420	1.9
223.12291	1.0
224.13124	1.9
225.10207	0.8
227.11813	0.5
235.08687	0.7
235.12276	2.4
236.13060	1.0
237.10117	6.6
237.13866	2.5
238.10823	1.9
239.11778	2.7
247.12180	1.6
248.09367	4.3
249.10193	7.2
250.11046	5.1
250.16220	0.5
251.11732	8.3
252.12448	1.9
253.13451	0.9
254.10513	0.5
257.07919	0.7
261.12308	0.6
262.10818	0.8
263.11743	29.2
264.09885	0.5
264.12506	5.0
265.09763	10.8
265.13342	22.5
266.10440	0.5
266.13998	1.1
267.11319	0.7
269.12878	3.0
276.75046	0.5
277.09634	1.8
278.10532	2.1
279.11240	24.7
280.11996	1.6
281.12708	3.3
282.13678	2.2
283.14240	0.9
287.13797	0.6
291.11197	7.8
291.14157	0.5
292.12076	2.1
293.12811	5.2
294.10037	0.6
294.13437	0.9
295.10614	3.4
296.11508	0.6
297.12299	17.7
297.15564	0.8
298.12952	1.0
309.12296	64.9
310.13019	18.3
311.13849	8.3
313.11850	0.9
313.86008	0.5
319.10736	5.0
321.12329	0.7
337.11752	36.6
338.12564	16.7
339.13278	5.6
342.15598	0.6
351.13437	1.1
355.12839	0.6
369.14401	71.4
370.15094	17.8
371.15805	4.2
399.15723	1.0
400.16806	1.5
418.17407	0.7
450.20279	0.7
452.21405	0.9
458.17123	0.5
478.19308	3.1
510.22269	100.0
511.22726	7.0
599.24750	2.8
617.25977	0.7
631.27295	2.3
635.26837	3.1
667.29266	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	667.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05392	0.5
69.07000	1.9
70.06472	0.5
74.62321	0.2
81.03365	0.3
84.04383	0.3
84.08049	0.3
92.10884	0.6
94.06512	1.8
95.04900	0.5
96.91408	0.3
106.06441	0.5
108.07998	0.4
110.06014	0.3
114.37416	0.3
118.06481	0.3
120.04419	0.4
120.08006	0.4
122.05984	5.3
124.07503	0.3
134.05946	1.3
135.59297	0.2
136.07555	15.6
138.05441	2.2
140.07040	7.0
144.04446	0.4
144.08096	0.3
145.45799	0.2
146.06018	3.3
146.09662	1.7
148.07523	1.5
150.09142	0.2
152.06978	1.5
154.04944	1.0
158.05844	0.3
162.05450	1.1
162.09050	1.1
164.07034	19.5
166.08585	7.9
172.03903	4.0
174.05525	2.1
176.07037	3.4
190.04944	1.1
192.06602	0.4
204.06512	5.8
206.08064	2.2
208.09656	0.3
209.10666	0.5
210.11459	4.2
211.12228	0.5
218.08047	1.0
220.09946	0.5
221.10756	1.1
222.11450	1.6
223.12202	2.4
224.12996	1.7
224.80449	0.3
225.10086	0.5
225.13786	0.4
227.11714	1.1
235.08594	1.2
235.12224	2.5
236.09355	0.5
236.13052	1.1
237.10216	7.1
237.13774	3.0
238.10948	3.6
239.11749	5.2
240.12639	0.3
241.09764	0.3
243.11153	0.4
247.08511	0.3
247.12260	1.4
248.09312	3.4
248.12892	0.9
249.10144	6.8
250.10912	5.9
251.11711	10.5
252.12411	1.7
253.13332	2.8
254.10500	0.4
255.11240	1.1
259.10858	0.3
261.10022	0.3
261.12497	0.4
262.10928	1.0
263.11725	31.6
264.09244	0.8
264.12457	6.3
265.09720	8.3
265.13303	28.8
266.10370	1.2
266.13971	2.3
267.11157	2.4
268.11819	0.4
269.12793	3.7
270.13544	1.0
271.10809	0.4
271.14352	1.2
275.11755	0.5
277.09634	2.3
277.13010	0.4
278.10428	2.3
279.11224	36.6
280.11874	3.2
281.12772	3.6
282.13620	2.3
283.10632	1.0
283.14276	1.5
284.11426	0.4
285.12253	0.5
287.13876	1.5
291.11212	10.7
292.11945	2.8
293.12805	7.9
294.10217	0.4
294.13474	1.1
295.10693	3.2
295.14203	0.4
296.11496	2.4
297.12280	20.7
298.12906	2.3
299.13705	0.5
305.14835	1.0
309.12289	68.4
310.13019	20.0
311.13840	12.9
311.16672	0.3
312.14523	1.3
313.11780	0.5
313.15436	0.5
319.10706	5.5
320.11230	0.9
321.12225	1.8
323.10257	0.4
323.16238	0.5
325.11859	0.8
325.15460	0.4
331.12964	0.3
331.16586	0.3
337.11771	48.3
338.12512	21.8
339.13281	9.2
340.14111	0.3
341.15070	0.6
343.13251	0.3
345.14441	2.0
351.13260	0.6
352.14218	0.4
355.12967	1.0
363.65356	0.3
369.14377	61.1
370.15112	11.2
371.11417	0.5
371.15958	10.6
372.16382	0.4
374.14746	0.6
384.13226	0.3
398.15030	0.6
399.15482	1.1
400.16516	1.4
414.18225	0.4
416.15869	0.6
417.17181	0.5
418.17706	0.3
434.16949	0.6
450.20087	1.5
452.21674	6.0
458.16922	1.9
459.17694	1.0
460.18573	0.3
466.19574	0.3
476.18259	0.9
478.19620	6.4
494.19135	0.5
495.19736	0.3
496.20502	0.5
510.22266	100.0
511.22540	5.0
548.05731	0.3
575.24554	1.2
599.24725	4.4
604.15533	0.3
607.27289	0.5
617.26031	1.8
631.27374	2.4
635.27191	5.7
649.28540	0.4
667.29657	5.5
667.40436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07748	0.4
54.81547	0.4
55.95652	0.3
56.18779	0.3
67.05398	0.7
67.93465	0.3
69.06980	2.6
78.00031	0.3
88.26263	0.4
94.06486	3.3
106.06481	3.0
107.07265	0.4
108.08044	0.4
110.05945	0.7
112.07516	0.5
120.04432	0.4
120.08047	0.6
122.05083	0.4
122.05978	9.8
132.08028	0.4
134.05910	0.8
136.07550	15.2
140.07027	11.6
144.04453	0.3
146.06007	4.3
146.09616	3.1
148.07527	4.7
149.87735	0.3
150.09074	0.5
152.07011	1.4
154.04956	1.4
162.05475	0.6
164.07013	25.0
166.08585	20.1
172.03905	4.9
174.05464	4.3
176.07022	5.9
187.70940	0.3
190.04884	1.7
192.06499	0.6
204.06477	5.8
206.08105	0.7
208.09761	0.5
209.10556	0.5
210.11418	2.5
211.12268	0.9
218.08064	0.7
221.10635	0.7
222.11432	1.8
223.12202	3.2
224.09296	0.5
224.13008	1.6
225.10234	0.8
225.13788	1.5
226.10898	0.4
227.11693	0.6
235.08548	2.4
235.12152	3.3
236.09250	0.6
236.13008	2.1
237.10146	10.1
237.13730	3.4
238.10899	5.1
238.14400	0.5
239.11703	9.0
240.12378	0.7
246.07701	0.5
247.12335	1.4
248.09346	5.4
249.10117	10.5
250.10873	7.2
251.11694	16.0
252.12408	3.0
253.13251	3.7
255.11295	1.2
262.10858	1.4
263.11703	32.9
264.08881	1.5
264.12439	6.5
265.09692	11.7
265.13275	50.0
266.10440	0.8
266.13867	4.5
267.11215	2.9
267.14737	0.7
268.11972	0.8
269.12787	2.0
270.13531	0.6
271.14392	1.7
271.92453	0.4
275.11780	0.6
276.08463	0.6
277.09619	8.0
277.13242	1.8
278.10287	3.3
279.11197	58.3
280.11755	6.4
281.12753	3.1
282.13528	2.0
283.11102	0.7
283.14322	2.6
285.12317	2.2
287.13788	2.8
291.11221	13.5
292.11841	3.9
293.12778	12.1
294.10367	0.5
294.13458	2.9
295.10751	12.1
295.14236	1.5
296.11337	3.1
297.12277	22.6
298.12915	3.2
305.14917	0.8
309.12253	81.1
310.13019	30.2
311.13809	27.1
312.14496	3.6
313.11752	2.8
313.15530	2.4
319.10681	11.8
320.11469	1.5
321.12323	2.6
323.16061	1.4
324.10764	0.5
325.11707	0.7
330.15979	0.5
331.12735	0.7
337.11734	100.0
338.12512	34.2
338.16776	0.5
339.09290	0.8
339.13297	19.0
340.14072	0.7
345.14362	1.4
355.12762	0.8
357.14435	0.4
358.15289	0.5
369.09583	0.8
369.14337	26.5
370.15134	6.2
371.15866	9.4
373.14508	0.5
386.14560	0.4
390.18109	0.6
398.15030	0.5
399.15540	2.1
400.16418	2.0
401.13272	3.2
416.16000	0.4
418.17395	0.6
434.16663	0.6
450.20151	1.7
452.21686	22.2
453.22006	1.9
458.16983	2.5
476.18240	1.4
477.18573	0.5
478.19623	35.4
479.20074	2.7
480.21249	0.5
494.19202	2.9
496.20670	9.7
510.22217	52.3
511.22556	4.2
575.24811	1.3
591.28833	0.6
599.24805	4.2
607.27051	0.4
617.26074	5.0
631.27704	0.7
635.26971	19.9
636.27692	1.4
649.28546	0.5
667.29498	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	667.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60326	4.9
56.04973	8.8
67.05431	12.0
68.25957	5.9
69.06993	63.4
70.06506	74.6
72.08073	14.8
81.07007	13.2
84.04435	30.1
84.08050	48.0
85.02846	23.1
86.09627	25.8
91.05410	15.3
93.00381	5.6
93.06972	11.1
93.46250	5.7
95.08539	25.5
95.25414	6.3
97.02821	24.7
105.07000	6.9
107.08553	10.6
109.02852	9.4
109.10025	5.9
110.07116	11.6
120.08050	14.3
122.05968	27.4
123.11656	6.9
124.07548	40.3
127.03902	8.7
129.10225	23.9
136.07550	24.9
140.07063	100.0
146.06021	15.5
148.07477	8.3
152.07074	58.4
164.07027	10.0
164.10725	7.2
166.08614	39.1
172.03961	14.0
174.05515	27.5
176.07018	6.6
184.07327	7.4
192.10152	7.3
197.10886	7.8
204.06543	36.0
206.08084	8.0
225.10121	7.5
237.10251	10.6
239.11752	27.3
241.09616	9.5
251.11652	14.7
252.12605	7.6
263.11697	7.7
265.09671	26.9
265.13297	28.9
267.11249	13.8
279.11215	41.6
281.12729	15.4
287.10147	32.0
295.10495	8.0
297.12241	30.6
298.13123	28.2
299.13919	13.1
309.12341	26.0
310.13324	7.5
311.13855	30.4
313.11777	11.1
325.11792	12.3
337.11673	25.2
338.12592	25.8
339.13211	25.7
353.11346	9.2
450.20340	14.8
452.21640	75.2
460.18619	10.8
478.19522	75.0
510.22083	60.7
519.70355	8.0
573.26849	8.2
617.26447	19.7
634.17517	6.5
635.26892	71.4
667.29010	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	667.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04973	1.5
57.84682	1.3
58.49040	1.1
67.05420	5.3
69.06986	57.4
70.06503	9.3
70.86389	1.3
72.08070	1.9
79.05434	2.6
81.06976	5.3
84.04423	7.0
84.08067	8.0
85.02824	2.5
86.09628	2.9
93.26301	1.5
94.06509	2.8
95.04895	2.4
95.08517	2.7
95.40640	1.3
97.06493	1.7
106.06462	5.7
108.08061	9.7
110.05956	2.2
120.04381	1.4
120.08036	3.1
122.05964	7.4
124.07529	22.4
127.03883	8.5
129.10211	3.2
132.08073	1.6
134.05954	1.5
134.09616	1.4
135.04373	1.3
136.07561	17.1
138.05464	11.1
139.86932	1.4
140.07042	100.0
140.08130	3.3
144.08080	1.5
146.05994	12.1
148.07539	14.7
150.09117	14.6
152.07040	65.1
158.06004	1.9
160.03407	1.6
160.07469	2.1
162.05421	1.7
162.09108	3.0
164.07022	23.7
165.07896	1.9
166.08595	42.1
172.03932	7.4
172.07603	1.4
174.05466	7.0
176.07054	7.9
182.08128	1.7
192.06520	1.7
192.10089	2.0
194.08113	2.6
197.10672	2.0
204.06551	11.6
206.08018	3.1
209.10513	2.5
210.11465	2.2
211.12244	6.4
213.10246	1.4
215.11765	1.6
218.08076	6.9
221.10660	1.6
223.12190	5.4
225.10236	5.1
225.13884	1.8
227.11771	5.7
229.13292	2.1
236.09283	1.8
237.10063	8.6
238.10866	5.8
239.11717	25.3
240.10095	1.7
240.12361	2.4
243.11205	6.9
245.12738	2.1
249.10208	3.5
250.10942	3.1
251.11760	13.2
252.12521	7.6
253.09703	3.1
253.13298	9.5
255.11165	3.2
261.12347	6.3
263.11740	7.0
264.08832	2.5
264.12506	9.3
265.09659	9.8
265.13309	22.2
266.10403	5.3
266.13931	2.1
267.11215	9.4
267.14340	1.9
268.12045	1.9
269.09695	1.4
269.12775	13.8
271.11020	1.7
271.14301	6.0
277.13431	2.0
278.10309	3.1
279.08328	2.7
279.11227	34.4
280.11862	9.4
281.09769	1.6
281.12793	14.2
283.10675	5.5
284.11398	2.5
285.12320	12.1
287.13776	10.3
291.10950	2.2
293.09299	2.4
293.12775	8.8
294.09943	3.3
295.10693	10.6
295.14322	7.1
296.11600	7.0
297.12289	44.4
298.13049	23.2
299.13837	9.6
303.13400	2.7
305.15060	2.6
309.12262	20.4
310.13062	11.8
311.10178	7.2
311.13821	32.5
312.14557	8.5
313.11725	16.7
313.15414	10.3
316.14166	1.6
319.10660	2.1
321.12369	5.8
324.10840	5.6
325.11633	5.7
329.14954	1.9
331.12744	2.7
331.16931	1.9
337.11646	12.3
338.12430	10.5
339.13281	20.7
340.14154	6.9
345.18408	1.7
346.15207	2.1
358.15076	2.6
359.16510	2.0
360.16806	8.1
371.16208	5.5
372.16873	3.2
374.18472	6.5
378.17926	2.9
388.16531	3.0
392.19571	6.6
400.16498	3.3
401.12881	1.9
402.17999	2.3
404.19897	2.2
406.17062	1.8
410.20541	3.0
416.19873	5.1
417.16528	3.2
418.17493	9.5
419.17880	2.4
420.19119	12.6
432.19095	42.3
434.20712	23.4
436.18515	2.8
437.19397	7.3
438.20093	5.5
444.19193	1.7
446.16742	3.4
450.20319	31.4
451.19781	2.4
452.15631	3.0
452.21704	78.6
453.21979	3.1
460.18597	23.3
461.19113	2.0
462.19958	2.5
464.17975	7.7
478.19659	64.8
479.19916	3.4
480.20908	3.2
492.21436	13.5
496.20459	11.7
497.21042	1.7
510.22296	33.7
511.22220	1.9
557.23346	1.9
575.54956	1.6
581.23492	6.5
591.27618	2.6
599.24390	10.3
617.25928	41.8
618.26074	3.2
635.27014	78.1
636.26819	6.1
649.28137	6.4
667.29626	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	668.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92217	0.5
53.78228	0.5
54.04509	0.5
55.05456	5.3
57.03373	0.8
57.07011	0.7
59.13452	0.6
59.83959	0.6
60.16763	0.5
61.02847	0.7
64.33068	0.6
65.06403	0.6
66.22532	0.6
67.05439	4.6
69.03347	5.0
69.06989	2.4
69.33698	0.7
69.99747	0.5
70.06515	6.0
71.04918	1.1
71.75500	0.5
72.08073	0.9
76.55714	0.6
78.12269	0.5
79.05424	2.9
81.03335	2.3
81.06973	7.5
83.04903	4.1
83.08537	4.2
84.04447	1.4
84.08076	2.9
85.02823	7.2
85.06461	1.4
86.09632	1.2
87.04382	1.4
91.05410	2.4
93.06963	4.4
95.04897	2.7
95.08527	4.1
97.02824	100.0
97.06448	1.3
98.03145	1.0
99.04383	1.3
103.05399	11.8
105.06971	5.3
107.08530	8.5
109.02830	0.8
109.06475	3.6
109.10110	10.2
111.08052	0.7
115.05431	1.2
119.08570	2.7
120.08060	2.3
121.10077	6.2
123.08042	0.7
123.11660	3.2
127.03870	4.3
128.06190	6.8
129.07014	0.7
129.10255	1.0
131.04898	35.0
131.08566	3.4
133.10095	13.5
135.07979	0.8
135.11609	0.8
141.06944	4.7
143.08536	22.0
145.04944	0.8
145.10075	1.4
147.11642	2.3
149.13266	3.6
151.11139	4.8
153.06967	7.0
153.09070	0.7
154.53606	0.6
155.08560	3.0
158.10915	0.8
161.13255	0.7
163.14771	0.8
165.12672	0.7
167.14285	5.6
169.06447	2.2
169.73630	0.6
171.08009	4.5
173.13162	4.8
181.06430	4.4
184.07358	1.0
189.12637	0.7
191.14294	3.8
197.29340	0.6
199.07536	7.9
199.15480	0.6
209.15343	17.4
219.01813	0.6
227.06883	2.3
237.02812	2.3
245.08043	16.2
263.09079	2.6
525.35138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80615	3.1
55.05448	4.5
57.07013	37.4
61.17277	3.2
63.41845	3.7
80.15933	4.2
83.04903	47.7
86.09610	5.6
91.05397	4.2
107.61324	4.0
141.07005	6.3
147.11650	30.3
151.01556	9.0
152.40831	3.9
174.72438	3.8
201.61365	4.1
217.99571	5.1
239.04634	5.1
262.92044	4.2
307.05988	5.0
337.02399	56.0
393.08539	24.6
407.26132	4.6
409.38837	4.9
469.11304	6.8
525.17511	21.8
581.24219	36.5
637.11511	4.6
637.30566	100.0
638.30316	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	669.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04970	0.8
60.93251	0.3
70.06493	0.9
72.63455	0.3
79.05428	0.4
84.04428	31.2
85.02821	1.4
89.24577	0.4
91.05402	0.5
102.05447	0.6
103.05381	5.6
107.04874	2.7
116.71830	0.4
120.08055	100.0
121.08442	3.0
127.02928	0.7
127.03873	20.6
128.04199	0.4
130.04965	3.8
131.04878	3.6
136.07520	0.4
149.05992	1.9
166.08601	27.0
167.09018	0.8
186.09102	8.8
194.00557	0.4
225.29460	0.3
232.09650	5.2
233.45073	0.4
237.02654	0.4
278.10208	3.4
295.12842	26.3
296.13101	1.4
337.69275	0.4
411.71823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96893	0.5
55.01793	0.8
55.05446	2.9
57.03375	0.8
57.07002	0.6
67.05431	7.3
67.54683	0.5
69.06989	2.7
71.04922	0.5
71.08550	1.0
79.05411	4.3
79.05805	0.7
81.06980	7.0
83.04887	0.7
83.08531	1.4
91.05405	2.8
93.06969	4.3
95.08540	5.7
96.08871	0.7
97.10129	1.0
102.59663	0.6
105.06985	2.1
107.08504	1.1
109.10115	2.7
119.08504	1.1
123.07978	0.6
135.90399	0.6
150.18301	0.6
193.33380	0.6
227.12610	0.9
247.13094	0.9
308.28885	0.6
315.19482	0.6
333.20239	7.9
337.27377	1.0
389.23141	3.1
401.01511	0.7
458.10950	0.7
533.97803	0.6
669.46869	100.0
670.47314	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	670.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.5
55.01798	1.7
55.05437	0.7
56.04963	0.3
57.03386	2.4
59.79814	0.3
60.71973	0.3
65.03854	0.3
67.05402	1.4
69.03014	0.4
69.03352	8.9
70.06203	0.2
70.06512	4.3
70.34361	0.3
71.04546	0.5
71.04906	9.2
72.08083	0.4
73.02839	0.3
79.04959	0.4
79.05408	10.1
81.03339	2.9
81.06980	3.0
83.04897	1.3
84.04423	1.7
84.08062	1.4
85.02831	7.9
86.09624	0.6
91.05405	10.5
93.06967	3.5
95.04884	4.6
95.08517	0.5
97.02802	2.4
97.06449	1.5
99.04385	12.6
101.02298	0.6
102.05466	0.5
103.05415	0.7
105.03300	0.3
105.06979	23.4
106.07327	1.3
107.04900	19.4
107.08532	5.6
109.02815	1.6
109.06485	2.5
109.10101	3.1
110.07101	0.8
111.04376	1.7
112.88319	0.3
113.05950	1.8
113.68333	0.3
115.03845	0.3
115.05367	1.4
117.06971	4.5
119.04879	2.5
119.08537	29.9
121.06451	4.7
125.05917	2.5
127.03902	4.2
128.06172	5.5
129.06998	3.8
129.10187	0.6
130.07800	1.0
131.04863	0.4
131.08572	2.1
131.09407	0.3
133.06477	2.7
133.10097	35.4
134.06815	0.5
134.10388	0.4
134.97368	0.4
135.08031	0.7
137.05940	0.5
137.09590	9.6
140.52092	0.3
141.27351	0.3
143.08542	14.8
144.08919	0.4
145.04967	0.6
145.06490	2.4
145.10095	3.8
146.07254	6.8
147.04346	0.6
147.08032	30.7
148.08322	0.8
159.08014	0.6
161.05956	1.9
161.09586	100.0
162.09915	3.2
163.07571	0.4
163.11159	1.2
165.09084	11.2
171.08047	2.9
174.06693	2.7
175.03860	2.1
179.10632	8.9
180.08595	0.3
181.04909	1.2
187.07585	0.4
189.09090	16.3
190.09364	0.4
191.07062	0.4
207.06520	2.8
207.10136	25.2
208.10463	0.6
225.11185	4.2
232.68486	0.4
249.11198	0.4
280.38321	0.3
311.11188	7.6
329.12250	69.5
330.12582	3.9
350.99371	0.4
428.19403	0.3
455.15182	2.2
473.16425	15.5
474.16763	0.6
487.24722	0.4
544.30408	0.4
579.83466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80034	0.7
53.00249	1.0
55.05440	4.0
57.07011	37.7
58.72692	0.8
64.49850	0.9
65.03864	10.6
65.64068	0.7
67.05428	1.7
70.96439	0.8
72.76746	0.8
78.03024	0.9
79.47379	0.8
81.06968	1.4
83.04894	17.7
83.08570	1.0
84.39459	0.9
88.38934	0.8
91.05399	12.6
92.10291	1.3
93.06945	1.3
95.08506	1.0
97.01007	1.5
99.02607	100.0
100.02923	1.8
105.06965	8.7
115.05412	1.2
119.08543	5.6
129.06935	1.3
131.08548	1.1
132.09308	3.8
133.10078	1.7
141.06993	5.1
142.07748	4.4
147.11665	38.6
159.08076	3.0
161.13243	1.3
173.04106	1.8
175.01508	12.0
178.99232	1.2
187.98792	1.0
189.16397	1.1
197.00307	7.8
203.99422	1.0
214.28578	1.2
221.03389	1.2
239.04654	3.5
255.02357	4.3
273.03333	12.0
329.09549	18.6
353.00000	21.2
409.06213	18.6
416.95090	1.2
467.35669	1.0
485.09283	7.1
541.15625	23.1
542.15497	1.1
597.21869	31.4
598.22070	1.3
651.72144	1.0
653.28094	100.0
654.28149	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	670.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38233	0.5
56.04971	4.1
56.61490	0.5
58.06530	3.1
58.15772	0.5
60.75201	0.7
64.33306	0.5
70.06509	100.0
71.06846	1.0
74.05598	1.0
74.05990	16.6
74.69576	0.5
84.04425	3.1
84.08064	1.4
86.06006	0.6
86.09626	69.6
91.05392	0.9
92.10246	1.3
98.09611	0.6
101.07082	21.0
110.18768	0.6
126.09103	1.4
126.12756	0.8
133.06053	7.0
142.12282	8.1
143.11787	7.8
159.74916	0.6
169.13358	2.2
170.18425	0.5
182.15271	0.7
187.14384	98.0
188.14676	1.0
199.18016	2.4
209.16582	0.8
211.14391	0.8
213.08687	7.8
215.13878	38.7
230.11313	54.1
231.11601	1.2
283.20151	1.2
328.22244	25.5
339.13419	0.8
343.19666	4.7
349.37000	0.5
393.15216	0.6
413.31161	3.1
423.29568	0.6
437.24902	0.7
441.30573	10.8
456.27930	0.8
530.58820	0.6
643.19403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	1.4
55.34143	0.8
57.07014	1.0
65.80522	0.9
67.05432	1.6
79.05438	1.5
81.06998	1.0
82.68149	0.8
83.04892	2.1
91.05412	9.2
95.04952	0.9
95.08530	1.1
103.28967	0.8
104.06180	1.0
107.08549	3.6
117.07011	1.1
119.08543	100.0
120.08869	1.9
133.06458	1.5
135.08081	1.3
193.24962	1.1
588.38837	1.0
653.43689	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04968	0.4
57.06742	0.3
57.07010	7.6
57.12162	0.2
58.06524	0.5
62.06018	0.3
70.06509	11.2
71.08540	4.1
80.38375	0.3
81.19013	0.3
85.10089	1.5
88.07550	16.0
92.10899	0.7
102.09126	3.4
106.08608	6.8
112.48159	0.3
112.67432	0.3
127.03877	0.3
132.82230	0.3
140.98457	0.3
143.49489	0.3
148.50198	0.3
164.39171	0.3
170.23064	0.3
172.95134	0.4
184.07350	0.3
190.96280	0.4
232.28419	0.3
235.48410	0.3
240.26845	0.4
258.27893	1.1
264.65903	0.3
270.27875	1.1
284.29440	5.3
302.30472	100.0
303.30875	4.6
318.29932	2.5
319.30264	1.1
506.70337	0.3
611.24896	0.6
629.22302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96502	3.4
62.55486	0.7
77.34168	0.8
86.09610	1.0
98.97521	1.8
102.92538	3.3
116.98557	2.0
136.93111	4.0
143.00125	1.2
146.99632	1.1
154.94122	19.6
158.99637	1.1
161.01221	2.2
172.95201	100.0
177.00667	1.3
179.02296	1.2
184.07265	1.6
190.96255	92.6
192.95551	1.2
195.01747	1.1
195.96809	4.6
199.38837	1.0
208.97310	3.6
210.96753	13.1
212.98370	1.2
213.97838	1.5
214.96165	1.4
228.94252	1.1
228.95670	1.9
228.97813	43.7
229.00105	1.4
237.02837	3.8
238.96114	1.1
246.98901	11.6
255.03725	6.5
280.97101	1.1
298.98303	3.4
300.02820	1.0
313.20419	1.9
316.99387	9.9
331.21408	4.6
335.00409	16.8
373.01926	2.2
391.02921	3.8
393.16901	6.8
411.17670	1.1
431.18637	2.0
449.19659	20.9
467.20798	9.3
490.22174	1.5
611.24884	87.3
612.24994	4.2
629.25726	1.6
652.26770	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	671.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	6.0
55.01801	1.5
55.05434	3.4
57.03358	1.6
61.02842	3.3
62.28812	0.8
64.32922	0.7
67.05417	3.8
69.03355	13.3
70.06510	11.9
70.89968	0.7
71.04891	5.0
72.08048	1.5
73.02826	3.3
74.27887	0.8
78.13356	0.8
79.05405	3.0
81.03337	18.1
81.06969	3.3
83.04907	1.9
84.04420	4.7
84.08080	7.5
85.02828	64.2
86.09623	4.0
91.05395	5.1
93.06973	5.9
95.04886	1.0
95.08554	6.0
97.02222	1.4
97.02822	29.4
97.10087	1.5
99.04388	63.0
101.07087	1.0
103.03880	100.0
104.04213	1.4
105.06976	12.4
106.42737	0.9
107.04900	1.0
107.08517	1.6
109.02826	19.1
109.10091	1.2
110.07117	4.4
119.04928	1.2
119.08512	1.6
120.08056	0.9
121.10087	3.3
127.03876	90.8
128.04247	0.9
129.06958	2.0
129.10204	1.8
130.06491	2.1
131.08531	6.9
131.75732	0.8
133.10117	2.1
136.07523	2.8
141.06879	1.6
143.08531	12.2
145.02875	1.7
145.04936	37.5
145.10136	4.1
147.11713	1.4
149.05930	1.9
153.01776	1.2
155.08510	8.9
157.10085	9.6
159.11595	1.4
163.05986	28.9
169.04900	0.9
169.10100	4.9
171.11633	1.9
177.05453	1.3
177.24168	0.8
181.04910	1.2
181.10057	4.9
182.49889	0.9
183.11627	7.2
185.13223	0.9
187.05959	3.6
187.07501	0.9
195.11617	6.7
197.13225	9.2
203.10674	0.8
205.07056	1.5
209.13240	7.2
211.14838	1.5
215.06775	1.1
225.16342	10.7
227.10703	0.9
227.17863	4.5
229.12128	1.2
237.16324	12.7
239.17911	3.9
241.12158	2.0
243.17380	17.2
245.18782	1.2
253.06979	1.8
253.15805	1.5
255.13405	1.0
255.17366	13.7
257.18903	5.0
260.63971	0.9
265.15933	1.8
271.05804	13.9
271.16922	16.9
272.06216	1.0
273.18448	4.9
283.16885	17.8
289.09088	5.7
301.17911	24.6
307.10272	6.6
311.16440	1.1
319.19019	8.1
329.17319	7.1
347.18457	13.6
348.18570	1.0
365.19507	29.8
366.19797	1.8
671.25781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	2.7
57.03382	1.7
57.07003	2.3
57.71250	1.4
67.05441	3.8
67.43137	1.7
69.06979	2.5
72.94234	1.9
76.56711	1.7
78.71211	1.8
81.06992	3.9
82.98755	1.8
91.05453	1.8
96.89214	2.1
102.52415	2.0
109.10129	1.8
150.17242	2.2
163.49629	1.9
183.63260	2.4
212.34018	2.0
255.46590	2.2
286.24942	2.3
335.21719	4.7
336.57916	2.8
493.36212	2.0
568.57568	2.4
671.48474	100.0
672.49011	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	672.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	8.0
57.03369	8.0
57.06737	3.7
57.07011	79.7
61.02617	1.5
61.02858	27.4
62.74912	1.4
67.05427	18.4
69.06997	15.4
71.04891	1.7
71.08183	3.2
71.08549	52.0
72.22944	1.6
73.02823	11.3
75.04395	3.9
77.72862	1.6
81.06971	21.6
83.08539	18.0
84.87626	1.5
85.02831	25.1
85.10101	31.4
86.09618	4.0
90.23483	1.7
91.03882	25.2
95.08541	37.8
97.02821	10.4
97.10066	7.4
99.04389	2.1
109.10123	21.5
111.11670	2.0
120.33199	2.1
123.11663	7.6
127.03801	2.2
137.13193	2.4
145.04945	3.1
146.06036	1.9
163.05971	8.0
184.07321	7.9
209.45010	1.6
224.14449	2.0
228.19522	1.8
239.23645	17.8
257.24677	2.8
302.30359	3.1
313.27332	100.0
314.27753	3.2
331.28439	31.7
347.73505	2.0
609.13000	2.2
692.25153	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92690	0.9
55.05450	6.2
56.04967	1.7
56.56362	1.0
57.07008	16.6
59.04938	1.7
66.92946	1.1
67.05428	36.8
67.51978	1.0
68.69064	1.0
69.06996	2.4
71.07287	17.9
71.08553	8.7
81.06979	11.6
83.08554	7.3
85.10109	5.9
86.09622	68.2
87.92783	1.1
91.05406	1.5
93.06943	1.2
95.08524	8.6
109.10106	27.9
110.71762	1.2
123.68079	1.3
124.99981	1.2
125.04899	1.2
146.98163	47.0
146.99243	2.1
173.11691	1.7
184.07286	1.5
306.28003	4.3
338.81616	1.4
357.10718	1.2
357.50531	1.4
461.85785	1.4
467.37357	1.7
489.35388	51.3
489.42450	2.0
490.35629	2.1
613.34644	100.0
614.35364	5.7
672.42059	61.0
673.42493	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	672.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41499	0.2
55.05440	0.5
56.04973	0.5
57.07014	0.3
58.06531	0.3
60.08093	10.3
62.44983	0.2
67.05422	0.9
69.06995	0.3
71.07289	4.5
81.06990	0.3
83.04890	2.6
86.09627	54.2
87.09947	0.4
93.06972	0.4
95.08552	0.3
98.98389	4.9
104.10697	3.0
104.44318	0.2
109.10095	0.3
116.99439	0.2
124.99963	37.6
143.01035	1.1
144.43375	0.2
147.11676	0.3
175.01465	0.4
181.02565	1.4
184.07306	100.0
185.07646	1.1
227.04550	0.3
313.11850	1.1
340.17139	0.3
369.17960	0.3
408.68591	0.3
437.23352	0.2
483.36130	0.3
553.12952	0.3
599.24536	1.2
655.30774	1.5
656.31848	0.3
672.42194	10.5
673.42871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	2.9
56.04972	0.5
57.07007	3.3
58.06541	0.4
60.08095	8.1
67.05434	1.3
71.04916	0.4
71.07289	4.7
77.27954	0.2
78.06539	0.2
79.05376	0.3
81.06984	0.4
83.04899	12.7
86.09626	49.3
87.36673	0.2
91.05414	1.1
92.10935	0.5
93.06972	0.3
95.04921	0.4
98.98396	5.5
104.10680	3.4
105.06964	0.4
119.08543	0.3
124.99963	32.3
125.09554	0.2
128.06201	0.3
129.06999	1.8
131.08478	0.3
143.01022	0.4
147.08022	1.4
147.11650	1.6
149.02324	0.2
151.47922	0.2
154.20827	0.3
157.07623	0.4
175.01517	6.2
181.02573	9.4
184.07301	100.0
185.07675	1.0
199.03607	0.3
227.04634	3.9
238.17976	0.3
257.05701	1.3
283.10834	1.4
301.44266	0.2
313.11868	6.8
314.12180	0.3
331.12915	0.4
354.05545	0.3
369.18317	2.0
445.57297	0.3
487.12582	1.0
543.18964	2.6
599.25336	7.1
600.25299	1.2
655.31384	9.7
656.31097	1.2
672.42230	7.8
673.41852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81777	0.4
57.06773	0.4
57.07011	5.6
58.06535	0.8
62.58146	0.3
70.06517	0.4
71.08534	2.6
72.08068	19.3
78.35025	0.3
86.09634	0.6
88.07533	2.0
88.33990	0.4
89.84073	0.4
90.09116	16.3
98.59344	0.4
108.29952	0.3
119.08561	0.8
132.35095	0.4
132.64096	0.4
156.95456	0.4
181.99472	0.4
184.07307	1.8
187.23083	0.5
205.21271	0.4
214.25288	0.6
230.77693	0.4
256.26294	0.8
258.27859	100.0
259.28238	2.5
276.95029	0.4
611.17145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	64.8
57.07003	29.7
67.05431	100.0
69.06991	10.6
71.08531	25.4
77.35719	6.3
79.05403	11.4
80.36723	6.4
81.06973	42.7
83.08543	48.8
83.15690	6.3
86.09617	9.8
89.05944	27.7
93.06926	13.2
95.08527	27.4
97.10098	67.9
104.64919	6.0
107.08543	14.1
109.10122	65.2
125.09598	60.2
135.08043	6.9
166.08820	6.1
180.10709	5.9
189.11295	13.9
227.12802	64.0
227.43845	6.5
283.46649	6.1
381.22751	9.5
399.23740	60.1
432.59479	6.8
435.05615	7.1
467.37106	38.5
474.54593	6.4
483.36670	36.0
637.46326	26.6
672.48633	26.5
673.49988	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	673.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68137	0.8
60.62686	0.9
67.57544	0.8
69.03342	1.6
70.06509	4.6
79.90675	0.9
81.06995	1.2
84.04437	1.3
84.06384	1.0
84.08067	6.0
85.02840	5.7
86.09627	2.0
97.02831	5.3
99.04411	1.4
102.05468	1.0
103.03873	1.8
107.08568	0.9
107.78918	0.9
108.69520	1.0
109.02869	1.1
110.07133	1.6
112.14909	1.0
114.05782	1.1
127.03878	2.2
129.10173	1.7
147.06549	4.3
148.03679	10.8
148.74065	1.1
154.36584	1.1
161.04527	1.0
162.05217	2.1
163.06062	1.3
165.09161	1.5
165.19853	1.0
165.45424	1.1
170.23053	1.1
170.77296	0.9
179.05505	35.0
179.07042	1.7
180.06325	2.3
188.06812	1.9
220.05759	1.4
221.06584	4.5
227.05589	2.0
255.06557	1.5
275.11539	1.4
285.12112	2.1
290.13821	1.7
293.12610	1.8
301.09171	3.3
310.02682	1.0
315.10898	4.6
316.11679	9.2
317.12268	9.3
318.13333	3.5
319.10397	11.1
319.13776	1.1
333.11960	7.3
334.13010	8.8
335.13718	4.5
345.14157	10.9
359.10034	6.5
360.10666	21.8
361.11487	67.5
362.12259	5.5
393.13956	9.0
440.19168	4.1
458.20459	6.1
462.77771	1.0
483.97720	1.0
484.17990	4.1
485.18448	1.4
486.19638	1.2
516.20966	3.9
517.18097	4.9
597.27332	2.3
641.25769	63.9
642.26276	3.9
673.28259	100.0
674.28674	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	674.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09675	0.5
55.01820	4.6
55.05452	2.3
57.07019	5.4
58.99516	6.6
59.99947	0.6
60.08089	10.6
60.59816	0.5
67.05434	5.1
69.06607	0.6
69.06980	3.4
71.07294	5.3
71.08539	3.3
72.04417	1.3
74.83270	0.5
76.02141	24.7
79.05417	0.9
81.06982	5.0
83.04874	1.1
83.06046	0.9
83.08524	3.0
84.04436	4.6
85.10088	1.0
86.00530	0.6
86.09628	49.7
86.98965	3.3
88.02132	0.7
90.05484	7.6
92.10248	0.8
93.06953	2.7
95.08522	4.7
98.98389	4.1
104.01622	4.0
104.10673	3.5
105.07052	0.6
107.08541	1.3
109.10115	1.4
116.01643	5.3
121.10149	0.6
124.99967	34.9
126.05473	7.2
126.85162	0.8
128.01620	3.3
129.06522	1.0
141.04837	0.7
142.03214	0.9
144.06516	3.4
148.51047	0.6
158.02684	17.1
175.05296	2.7
176.03732	6.4
184.07307	100.0
185.07668	0.7
186.67252	0.6
187.05405	0.8
193.06416	12.1
233.05803	3.4
322.10593	0.9
325.25531	5.9
335.29517	1.0
352.31961	1.0
353.30530	0.6
428.31512	1.4
507.79651	0.7
527.35028	18.9
528.35126	1.1
545.36121	5.9
546.36304	0.8
585.35474	4.3
674.43628	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	674.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00263	2.1
55.01816	16.0
55.05437	12.2
57.03362	2.0
57.07018	15.7
58.99521	23.3
60.08091	8.8
66.19777	1.6
67.05431	18.1
69.03342	2.3
69.06984	15.4
71.07288	2.1
71.08541	13.2
71.21221	1.7
72.04424	7.9
76.02139	87.5
79.05408	8.0
81.06974	15.8
83.04893	3.4
83.06030	8.2
83.08519	9.3
84.04424	15.6
85.10092	4.8
86.00600	2.1
86.09627	34.6
86.98975	11.7
88.02119	2.2
90.05482	38.1
91.05402	2.0
93.06969	8.4
94.61771	2.7
95.04925	2.3
95.08556	18.4
97.10089	9.1
100.02185	2.9
104.01649	15.0
107.08510	4.3
109.10104	8.7
116.01627	31.3
117.88045	2.0
121.10081	2.9
124.99969	25.4
126.05466	30.4
128.01613	11.3
129.06561	4.5
130.03197	7.9
133.10078	2.6
135.11656	3.9
141.04771	2.5
141.33032	1.8
142.03206	9.8
144.06540	11.1
144.70895	2.0
158.01382	2.8
158.02678	79.4
175.05338	9.6
176.03752	20.4
184.07286	69.3
187.05251	7.4
193.06378	53.1
233.05865	9.9
274.93423	2.0
325.25540	22.2
335.29324	3.4
352.31946	4.8
353.30289	2.4
428.31818	8.9
496.13144	2.1
527.35071	100.0
528.35028	7.9
533.38007	4.0
545.36145	14.5
559.86456	2.3
560.41681	2.5
585.35388	10.3
586.35413	2.4
615.29736	4.3
674.40155	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	674.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12445	0.2
54.81991	0.2
56.04965	0.3
57.09999	0.2
58.01583	0.2
58.06518	0.3
60.07783	0.4
60.08092	10.2
62.87707	0.3
65.48167	0.3
67.05417	1.0
71.07288	4.7
75.02512	0.2
86.09625	47.0
92.10815	0.4
96.82586	0.3
98.98392	4.1
104.10693	4.0
124.99963	34.0
128.84065	0.2
143.00990	0.4
162.64680	0.3
178.44490	0.3
179.32083	0.2
184.07298	100.0
185.03365	0.3
185.07594	1.2
243.63065	0.3
263.68942	0.3
278.89709	0.3
559.39069	0.3
674.32733	0.4
674.43811	10.0
675.43457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31300	0.2
56.04973	0.4
58.06522	0.2
59.07297	0.2
59.25521	0.2
60.08093	8.7
64.42355	0.2
67.05419	1.2
71.07278	4.2
73.21741	0.2
81.06937	0.2
81.79579	0.2
86.09622	49.4
87.09975	0.3
97.74491	0.2
97.84257	0.2
98.98390	4.5
104.10673	3.1
109.10085	0.3
124.99958	37.1
137.37914	0.2
143.00992	0.7
165.72153	0.2
184.07295	100.0
185.07568	1.4
211.68181	0.2
434.30313	0.2
439.35773	0.2
480.86090	0.2
515.22510	0.2
571.31445	0.3
622.40137	0.2
674.32495	0.3
674.43719	9.0
675.44098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81886	0.6
55.05438	3.4
57.06995	3.5
71.04910	8.9
83.04431	1.3
83.04899	23.8
86.09611	3.7
86.24325	0.7
93.08287	0.7
95.01276	0.7
101.05962	6.1
107.04903	64.5
121.06470	1.4
124.99944	3.7
132.15028	0.8
135.17152	0.7
147.08028	8.0
148.65059	0.9
149.05966	19.5
159.08017	5.3
161.08095	7.8
163.11148	100.0
164.11467	1.8
169.26247	0.8
184.07274	6.1
203.14368	6.3
205.12164	5.0
219.17421	27.2
220.17894	0.9
258.61887	0.9
267.12216	52.8
309.13406	1.2
323.18478	42.6
324.19067	1.3
415.17508	11.0
433.18668	10.7
434.18701	1.0
471.23752	13.3
489.24747	15.4
527.29865	14.8
528.30560	1.2
545.30756	6.9
583.35315	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65148	1.5
53.00242	6.9
53.03876	3.3
55.01804	9.0
55.05225	2.0
55.05451	36.6
57.03107	1.4
57.03378	55.8
57.06739	3.1
57.07013	87.0
58.07347	1.6
59.04940	1.9
59.49775	1.2
67.05089	3.5
67.05431	78.3
69.03349	2.8
69.06987	48.7
70.82655	1.6
71.04906	19.7
71.08185	2.2
71.08549	51.0
78.60979	1.7
79.04959	2.3
79.05410	57.4
80.05715	1.9
81.03340	28.6
81.06506	3.2
81.06977	93.3
82.07272	2.0
83.04899	11.5
83.08527	28.1
84.15556	1.4
85.06464	10.1
85.10096	24.8
86.09601	7.9
89.05939	2.0
91.05407	38.4
92.10184	3.0
93.06979	51.6
93.53430	1.8
95.04910	19.9
95.07973	2.4
95.08540	56.5
95.37387	1.6
97.06464	100.0
97.10111	14.1
99.08025	79.0
103.05385	2.2
103.07488	1.9
105.04434	2.0
105.06978	29.8
107.04896	30.5
107.08539	27.3
109.06479	15.3
109.10110	31.7
111.04365	2.0
111.08008	3.6
113.05963	3.7
117.06975	17.5
119.08543	22.1
121.06425	10.4
121.10107	16.2
123.04382	2.9
123.08008	10.8
123.11633	7.5
124.99963	3.9
125.09589	3.3
127.07536	18.5
129.06953	11.0
131.08539	24.5
133.06430	10.2
133.10136	15.5
133.10966	2.4
135.08038	13.1
135.11649	3.3
137.09628	3.3
141.06924	3.4
142.59451	1.6
143.08551	10.3
145.06450	3.4
145.10092	15.3
147.08025	12.7
147.11655	9.0
149.09567	15.1
149.13226	6.1
157.10092	8.2
159.07970	2.0
159.11693	11.3
161.09583	9.6
163.11147	3.8
165.12657	2.1
171.11658	3.7
173.09604	2.0
173.13226	6.1
175.11134	3.7
177.12640	2.6
183.11624	3.0
184.07332	13.2
187.11125	1.7
195.13780	2.0
199.14857	2.3
201.12836	2.1
203.14200	1.8
217.15788	7.1
219.13730	2.6
227.12654	3.1
227.17877	1.7
229.14273	9.4
233.15311	10.9
235.16821	2.1
239.23686	2.5
255.17459	2.5
261.37595	2.0
269.17328	11.4
273.18411	29.2
279.26144	1.7
291.19482	44.3
307.18756	11.4
309.20419	2.5
313.27322	86.6
314.27689	3.7
338.71436	1.6
347.21985	8.1
365.23062	21.1
367.68640	1.6
383.24124	1.8
406.69455	1.7
467.37143	11.2
507.40344	52.4
508.40466	9.5
545.29230	2.0
545.42053	38.6
546.42145	7.6
585.44855	3.6
594.34668	1.8
603.46155	40.0
604.46881	2.5
621.47205	50.9
622.46735	7.7
645.87219	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29437	4.4
55.05445	22.8
56.05815	5.6
57.03366	26.0
57.07019	63.7
67.05430	46.0
69.06988	52.1
71.04907	7.3
71.08547	41.0
72.32828	4.4
73.96341	4.3
79.05407	32.8
81.03331	12.5
81.06962	72.8
83.08544	8.1
85.10088	23.8
85.20834	5.6
86.09623	6.5
89.05988	5.0
89.31720	4.6
91.05399	27.5
93.06963	35.6
95.08528	34.3
97.06466	100.0
97.10104	6.8
99.08030	32.1
105.06939	10.6
107.04900	6.9
107.08539	19.1
109.06470	10.3
109.10125	11.5
111.08046	8.3
119.08549	10.2
131.08554	8.0
135.07971	6.2
145.10146	9.8
149.09618	5.6
149.13280	6.5
161.68802	5.2
168.08882	5.3
184.07368	8.5
245.18921	5.8
247.79671	4.9
250.75613	5.4
269.17410	6.2
273.18387	8.8
291.19547	6.3
307.18698	9.5
313.27249	56.6
365.22675	6.6
507.40338	60.4
545.41724	8.0
603.45972	20.2
621.46649	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	675.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45658	0.6
52.26537	0.4
53.03877	2.9
53.21494	0.5
54.81808	0.5
55.01805	1.0
55.05447	5.6
55.05663	0.7
57.03372	0.5
57.75541	0.5
60.01596	0.5
64.33588	0.6
67.05428	9.3
69.03349	9.3
69.06965	2.4
70.06535	4.5
70.06836	0.6
71.04899	3.2
72.08051	0.7
79.05414	17.4
81.03335	9.6
81.06973	5.6
83.04909	4.6
84.04427	2.6
84.08067	4.9
85.02826	3.6
86.09621	2.1
87.42007	0.6
91.05407	8.0
93.06979	3.6
93.50533	0.6
95.04882	9.7
95.08541	3.1
97.02820	3.3
97.06468	4.0
99.04403	4.5
101.02229	0.7
102.43967	0.5
105.06977	13.0
107.04908	23.1
107.08508	3.5
109.02845	3.7
109.06443	5.8
109.10107	40.9
110.07096	2.9
110.10474	0.9
111.04376	3.6
117.06949	3.1
119.08534	10.7
121.06451	3.5
121.10020	1.0
123.04398	1.0
123.08014	0.8
125.05934	2.5
127.03886	1.2
128.06189	5.8
129.06987	4.1
129.10158	0.9
131.04839	1.0
131.08543	1.2
133.06429	0.8
133.10124	12.4
135.08012	1.0
136.07599	0.7
137.09596	57.6
138.09897	1.0
143.07011	0.6
143.07329	0.8
143.08546	16.1
145.06412	0.8
145.10110	1.3
146.07251	3.8
147.08031	20.6
148.08415	0.9
149.02304	6.6
153.01822	2.8
159.07973	0.9
161.09587	100.0
162.09937	2.5
163.11145	1.2
165.09087	56.2
166.09361	2.2
171.02786	0.9
171.08020	1.1
173.04335	0.7
174.06644	2.3
179.10695	7.2
189.09081	7.9
197.11765	1.1
207.10149	33.9
215.06955	7.4
225.11182	11.2
243.06508	7.9
270.35251	0.6
271.05988	15.4
351.36572	0.6
369.15247	4.0
387.16562	4.9
519.48602	0.6
651.17114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	0.7
60.08090	9.3
67.05418	1.5
68.51813	0.6
71.07272	3.6
81.06956	2.5
86.09623	46.3
87.09924	0.7
89.24345	0.7
95.08523	1.2
96.43764	0.7
98.98380	3.9
104.10667	2.6
124.99961	33.6
184.07292	100.0
227.70683	0.7
357.72360	0.7
409.17212	4.2
676.41632	9.6
677.29584	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	676.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	0.3
55.22884	0.2
56.04972	0.8
58.06525	0.2
60.08095	10.1
67.05422	1.0
69.06979	0.3
69.29157	0.2
70.06525	0.2
71.07288	4.8
76.20096	0.2
86.09627	49.1
87.09977	0.4
98.98405	3.8
100.40747	0.2
104.10684	3.1
107.69373	0.2
115.51965	0.2
120.34106	0.2
124.99957	35.1
143.01054	0.5
178.93063	0.3
184.07301	100.0
185.07620	1.1
239.65117	0.2
265.09418	0.2
355.90381	0.3
462.10785	0.2
489.50656	0.2
508.73163	0.2
519.24524	0.3
676.45331	9.9
677.45837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81569	0.2
55.05435	0.2
56.04988	0.8
57.07011	0.2
58.06532	0.4
60.08098	10.4
66.43684	0.2
67.05435	1.0
69.08174	0.2
71.07291	4.5
79.68691	0.2
81.06997	0.2
86.09633	52.7
87.09963	0.5
94.16116	0.2
98.98413	3.6
104.10693	3.3
109.10154	0.2
124.99971	34.9
143.00998	0.3
156.79515	0.2
184.07318	100.0
185.07715	1.2
191.21138	0.2
605.01447	0.2
676.45404	9.6
677.45233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81384	1.1
57.07006	1.8
60.08091	8.9
67.05437	1.2
67.67901	0.8
71.07284	5.1
71.08564	0.9
78.75854	0.7
79.81378	0.8
81.06970	1.4
86.09625	49.3
87.09933	0.9
89.05943	4.1
92.10179	1.3
92.34211	0.7
95.08508	1.0
98.98388	4.2
104.10677	3.8
122.70580	0.9
124.99954	35.7
184.07298	100.0
185.07756	1.4
245.18562	0.8
409.16876	0.9
464.17282	0.8
475.84097	0.9
534.28571	0.9
547.47705	0.9
676.45447	7.4
677.29327	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	677.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	10.3
57.03366	5.5
57.07009	4.8
60.08096	4.8
61.02856	35.1
61.03101	3.6
67.05424	91.5
69.06992	11.3
73.02812	11.3
75.36053	4.3
79.05414	66.9
79.05840	6.1
81.06974	100.0
82.67954	4.0
83.08538	5.8
85.02839	39.4
86.09615	26.3
91.03875	27.8
91.05413	35.7
92.10934	5.6
93.06972	96.8
95.08533	72.7
97.02843	10.0
105.06957	25.9
107.08536	53.9
109.10084	37.2
109.65421	5.0
117.06871	6.1
119.08529	22.1
121.10073	45.7
123.11726	15.8
124.99975	29.0
131.08540	27.5
133.10097	19.2
135.11665	30.7
145.10138	24.3
147.11642	16.6
149.13263	19.6
159.11720	10.4
163.14799	7.7
173.13145	7.0
184.07292	71.4
187.14677	10.4
192.06517	4.8
243.21068	25.3
261.22086	62.0
335.25757	8.0
353.26730	16.3
523.15485	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06938	0.4
53.33454	0.4
55.05428	0.4
56.04977	0.6
56.37657	0.4
58.01690	0.3
60.08093	9.2
63.29061	0.4
67.05412	1.0
71.07301	3.9
71.08536	0.4
79.53300	0.4
79.66821	0.4
81.06960	0.4
86.09628	46.3
87.09959	1.7
95.65450	0.4
98.98399	4.5
104.10696	2.9
105.03284	0.4
107.08504	0.5
119.39888	0.4
124.99966	32.7
149.05894	0.5
151.13490	0.4
168.74721	0.5
184.07307	100.0
185.07677	3.2
186.07657	1.0
219.23904	0.4
234.57126	0.4
275.72830	0.6
651.81696	0.5
678.43433	11.9
679.43561	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25277	0.2
51.35769	0.2
56.04975	0.4
57.06997	0.3
58.06529	0.4
58.28184	0.2
60.08094	8.9
70.33132	0.2
71.07283	4.6
81.06967	0.4
86.09624	44.8
87.09962	1.9
89.51468	0.2
89.53941	0.2
91.58157	0.3
95.08473	0.3
98.98394	3.7
104.10670	3.3
124.99954	33.3
126.00246	0.6
141.01517	0.2
143.01013	0.9
163.62213	0.3
184.07298	100.0
185.07683	2.7
186.07739	1.1
194.34200	0.3
256.58383	0.2
272.20068	0.3
644.72668	0.3
660.45569	0.3
677.46027	0.5
678.46899	8.6
679.44299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	0.3
56.04964	0.4
57.07009	0.4
60.08095	8.8
63.22014	0.2
67.05412	0.5
71.07291	4.2
81.06986	0.2
86.09627	47.5
87.09940	0.4
98.98402	4.3
104.10680	3.2
109.10110	0.2
124.99963	33.2
143.01044	0.3
155.74535	0.2
184.07303	100.0
185.07657	1.5
382.25500	0.2
564.53406	0.2
678.46948	10.9
679.47211	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	20.9
57.03359	16.6
57.07011	15.9
67.05422	85.5
69.06985	21.9
72.97813	12.2
79.05403	17.0
81.06976	84.1
83.08526	13.1
86.09627	30.7
91.05411	72.2
93.06956	58.7
95.08524	71.3
105.06971	55.3
107.08537	26.7
109.10123	14.7
119.08506	12.1
145.10069	18.5
151.50409	12.4
184.07321	100.0
337.27335	54.1
678.45752	62.6
679.45367	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	8.1
56.31304	3.7
58.17440	3.8
60.21437	3.4
67.05438	5.5
69.03320	8.0
69.06978	4.4
70.06506	51.1
71.04913	5.7
72.08060	6.2
72.33073	3.9
73.02822	5.1
74.05986	4.5
76.55587	4.1
79.05407	5.9
81.03343	5.3
81.06945	8.3
83.08537	7.5
84.04446	30.0
84.08055	45.4
85.02843	36.4
86.09614	10.6
91.05391	9.7
92.79435	4.7
93.06999	6.2
94.06459	7.2
95.01312	5.2
95.04877	4.1
95.07295	5.0
95.08546	6.4
96.08052	25.4
97.02823	35.3
100.10664	4.4
100.11193	78.5
105.06891	5.2
107.08501	8.8
108.08088	33.8
110.07104	16.6
110.09635	41.6
111.04374	7.2
119.04865	5.9
119.08542	7.3
120.08073	29.7
121.10027	5.2
122.05958	16.2
124.07537	19.1
127.03831	7.2
128.07037	4.4
129.10153	19.4
133.10054	6.3
135.08035	5.4
136.07576	48.5
138.09119	44.2
140.06999	8.5
145.10144	5.4
146.06042	34.7
148.07506	18.6
150.09100	6.6
152.07002	27.7
154.12198	5.3
157.04993	7.5
164.07021	17.5
166.08589	88.6
172.03922	42.0
182.15347	28.7
190.04944	27.3
198.09023	4.3
198.11336	5.1
204.06529	48.9
209.16479	10.5
210.11484	6.6
210.14842	34.7
211.12256	7.7
223.12328	5.8
225.10187	5.3
226.11183	4.3
227.11676	7.2
237.10168	6.9
238.10828	10.2
239.11774	30.3
249.10077	27.1
250.10841	18.2
251.11644	27.7
252.08632	5.0
252.12476	6.5
253.13187	9.5
255.10957	5.0
256.12054	5.4
263.11771	59.5
264.08578	4.7
264.12485	21.4
265.09665	6.8
265.13278	28.9
267.11172	18.5
269.12869	6.1
279.11234	51.1
281.12640	17.9
283.10779	6.9
285.12338	33.2
291.11130	42.4
292.11777	7.2
293.12848	38.7
295.10522	8.3
297.12256	59.5
298.12692	5.2
299.13800	29.6
309.12268	37.1
311.13788	23.7
313.11694	28.7
315.13260	19.6
319.10669	25.5
321.12305	7.8
323.10199	8.8
325.11652	41.4
327.13470	7.0
337.11722	100.0
341.11209	8.6
357.14682	7.3
369.14334	6.2
373.13815	20.0
390.17770	4.9
397.31183	5.2
462.19885	10.0
464.21985	52.5
490.19592	73.8
491.19690	6.3
522.22119	55.1
629.25977	10.0
647.26691	36.6
679.29572	8.0
679.50879	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01797	24.8
55.05439	5.5
57.07003	21.2
58.99508	4.6
60.08082	6.8
67.05425	12.9
69.06974	6.1
71.07291	6.0
71.08540	16.1
72.04424	5.1
74.00559	8.7
76.02129	20.6
79.05364	3.7
81.06976	13.1
83.06007	4.1
83.08528	7.3
84.04421	16.5
85.10112	4.3
86.09624	53.9
87.09919	4.1
88.06613	3.6
90.05478	21.8
91.13713	3.1
92.01583	7.7
95.08502	6.0
98.98376	3.5
104.10680	13.9
109.10076	5.8
115.68147	3.7
122.02678	59.1
124.99960	36.6
126.05460	38.5
127.04991	45.7
131.99313	6.6
144.06508	19.2
145.06067	7.8
153.06619	5.4
155.08189	13.9
158.02661	4.5
177.99873	20.3
184.07303	100.0
185.03725	29.5
185.07610	4.6
191.04839	46.6
209.51088	3.2
213.35378	3.8
225.03448	7.1
231.04324	52.2
235.10913	3.3
249.03552	6.0
265.03052	19.2
308.25739	8.0
312.06671	5.2
341.27625	4.8
358.23883	16.2
360.25537	6.2
467.42105	3.6
550.29712	72.1
568.06104	4.2
590.29187	27.6
679.32666	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	679.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	3.2
53.57682	2.9
55.01807	2.9
55.05444	31.2
57.03368	5.5
57.07011	17.4
57.29811	2.4
61.02848	27.9
67.05424	98.9
69.03343	5.5
69.06991	22.0
71.04907	2.8
71.08553	5.5
73.02470	3.2
73.02837	16.8
74.05990	3.2
79.05428	24.4
81.03326	5.1
81.06975	100.0
83.08544	15.8
84.64902	2.9
84.65418	2.8
84.95960	5.1
85.02814	29.7
86.09628	17.7
91.03877	30.1
91.05406	15.7
93.06957	31.3
95.08535	86.3
97.02840	7.2
97.06493	5.2
97.10111	15.1
105.06980	14.4
107.08540	18.4
109.10124	39.9
119.08549	13.0
121.10105	26.3
123.11649	20.9
124.99974	12.9
127.03871	5.6
133.10089	14.7
135.11647	12.0
145.04927	7.0
147.11646	7.2
149.13281	7.5
151.14824	4.9
161.13223	15.7
163.05977	4.8
163.14771	5.6
175.14761	13.5
184.07297	41.3
189.16212	3.8
245.22581	43.1
258.62799	3.0
263.23654	55.8
265.51450	3.7
337.20605	4.7
337.27188	27.1
418.68051	3.3
604.32703	3.7
640.83020	3.3
679.50848	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	679.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60532	0.1
53.03862	0.2
55.05450	20.3
56.04952	0.1
57.06999	0.9
58.06519	0.2
67.05425	0.9
69.06985	1.2
70.06508	1.8
79.05404	0.2
81.06973	0.9
82.06054	0.2
82.06501	4.6
83.04899	2.1
83.08539	17.8
84.08071	1.6
85.06476	1.2
92.10917	0.3
94.06499	0.1
95.04879	0.1
96.08052	0.6
97.06451	0.5
98.09627	2.7
100.07552	7.7
100.11186	98.1
101.05947	0.2
101.11526	0.8
108.08067	0.1
109.06440	0.2
110.05990	3.5
111.04390	11.5
112.07554	3.4
112.11175	0.8
117.13827	1.7
119.08575	0.2
123.61622	0.1
124.07465	0.2
126.09116	2.9
127.08650	2.2
128.07037	8.7
129.05409	0.7
136.11160	0.2
139.08641	5.2
140.07034	3.4
140.21198	0.1
147.11655	1.1
149.13208	0.3
150.12755	0.2
164.14360	0.9
166.15875	1.4
168.13824	0.7
174.12723	0.2
175.11156	0.2
182.15373	41.9
183.15669	0.2
192.13834	1.7
192.91115	0.1
193.12231	0.2
209.16460	31.6
210.14862	41.7
211.15211	1.1
226.19110	7.4
227.17482	4.0
228.15903	3.8
245.18417	0.4
308.23596	0.2
308.26788	1.0
309.25314	2.0
325.29593	0.1
326.27957	7.0
327.28473	0.2
335.24454	1.1
336.22736	4.5
337.20786	1.2
343.30624	3.0
408.91113	0.1
417.32208	0.2
434.35013	0.5
435.33191	1.9
436.31891	0.6
452.35825	3.0
453.34143	1.5
534.43787	0.6
552.44348	1.4
562.39276	0.2
569.47595	0.2
635.78461	0.2
661.49957	9.5
662.50629	0.3
679.51038	100.0
680.51361	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	680.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40836	0.6
57.07011	1.1
57.42626	0.5
60.08094	8.9
67.05416	1.3
71.07285	4.7
71.48176	0.7
81.06994	0.6
81.98087	0.7
86.09624	46.1
90.18105	0.6
91.11221	0.6
95.08521	0.7
98.98404	4.5
104.10673	3.2
124.99037	0.7
124.99962	33.7
184.07304	100.0
185.07562	1.2
378.18890	0.7
680.44769	14.7
681.44452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44204	0.4
53.00240	0.7
57.07014	63.9
58.07320	0.5
60.87058	0.5
91.05408	5.8
93.68127	0.5
105.06980	2.9
110.62420	0.6
119.08525	0.8
147.11671	8.3
153.06955	2.6
233.03560	2.5
251.04631	16.9
307.10901	1.0
327.07739	100.0
328.08145	4.6
362.64352	0.6
383.13980	47.4
384.14130	2.4
439.20245	78.3
440.20657	4.5
495.26505	66.9
496.26685	4.4
551.32782	22.1
552.32831	0.8
607.38983	49.5
608.39325	4.3
663.45245	48.2
664.45721	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	681.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13242	0.1
52.51735	0.1
53.00241	0.1
53.03875	0.5
55.01810	0.4
56.95948	0.1
57.03375	1.4
59.80126	0.1
61.02852	1.0
68.99699	0.4
69.03346	4.5
70.06506	1.6
71.01262	0.4
71.04903	0.4
71.23650	0.1
72.08063	0.2
73.02808	0.6
74.05949	0.1
81.03335	1.8
84.04414	0.8
84.08057	0.9
85.02825	12.2
86.03152	0.1
86.09618	0.3
87.04373	0.5
91.03878	0.2
91.05424	0.8
92.10340	0.3
92.10929	0.2
95.08553	0.8
97.02824	3.0
98.14108	0.1
99.04393	0.8
101.02322	0.2
102.05479	0.1
103.03888	0.2
103.05360	0.2
107.04891	0.2
109.02824	1.6
110.07114	0.4
111.00735	0.2
115.03864	0.1
119.04874	0.7
120.08097	0.4
121.02791	0.2
121.26215	0.1
127.03873	1.6
129.10181	0.2
131.04871	0.2
136.07555	0.1
141.06918	0.4
145.02817	1.3
145.04922	0.6
147.04359	0.1
147.08095	0.1
149.02313	2.7
149.09579	0.1
153.01794	5.5
159.04333	0.8
159.74710	0.1
165.01793	0.6
169.06451	0.9
171.02782	0.1
173.05858	0.1
175.03934	0.2
177.05453	0.1
181.04944	0.2
187.03899	0.1
187.07428	0.2
197.05917	0.9
207.13788	0.4
213.05522	0.1
215.06995	5.7
225.05347	0.5
243.06485	4.0
244.06631	0.1
253.04843	2.5
254.05672	0.7
255.06352	1.2
259.10995	0.2
262.90826	0.1
267.06506	0.2
269.04227	0.1
271.05945	100.0
272.06281	4.5
280.13422	0.1
286.08081	0.1
295.06003	1.1
301.11783	0.2
307.05936	0.1
313.07001	2.9
325.06912	0.2
337.06918	0.5
433.11206	6.9
434.11609	0.5
484.04871	0.1
519.11212	1.7
520.11737	0.2
681.16278	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1658
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.00239	0.2
53.03894	1.2
55.01806	1.2
55.05433	0.2
56.04964	0.4
57.03369	2.1
61.02842	1.1
61.57505	0.2
68.99709	0.9
69.03001	0.3
69.03352	5.2
70.06509	2.9
71.04552	0.3
71.04912	5.8
72.08070	0.2
73.02824	1.1
74.05472	0.2
75.44582	0.2
76.66833	0.1
79.05402	0.2
81.02846	0.2
81.03336	6.3
83.04899	0.4
83.06053	0.2
84.04429	1.4
84.08061	1.5
85.02828	14.2
86.09632	0.4
87.00756	4.7
87.04402	0.4
91.03881	0.4
91.05421	0.2
92.10867	0.5
92.64067	0.2
97.02825	3.4
99.04401	2.1
102.05477	0.3
103.03860	0.7
105.01816	2.4
105.03344	0.2
107.04884	0.2
109.02834	4.0
110.07103	1.0
111.00783	0.7
111.04402	0.4
115.03894	0.2
117.01792	1.2
121.02802	2.3
122.05952	0.2
127.03883	5.8
129.01785	0.7
129.05434	0.3
129.10176	0.6
133.02838	0.3
135.04419	0.2
136.07545	0.3
137.02365	0.6
145.02800	0.4
145.04961	1.7
146.06009	0.2
147.04381	0.2
151.03896	0.3
153.01813	3.0
159.02873	2.8
165.01747	1.6
165.45654	0.2
166.74773	0.2
172.03923	0.2
177.05368	0.7
183.02866	0.7
185.05905	0.7
204.06543	0.3
213.05521	1.2
214.08676	0.3
231.04779	0.4
231.06732	0.3
231.11197	0.2
241.04871	0.3
242.08086	0.2
249.10278	0.3
256.03278	0.2
258.05200	1.1
259.06100	0.3
259.10754	2.1
271.05914	1.2
276.30179	0.2
279.11301	0.3
287.05450	100.0
288.05795	4.4
301.11740	1.6
319.12784	1.3
337.13727	0.2
383.12143	0.7
504.50290	0.2
535.10394	1.1
623.52155	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	681.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	0.7
55.05431	1.3
56.04955	0.7
64.33739	0.7
67.05427	1.0
69.06982	2.3
70.06511	10.2
75.35127	0.6
75.76966	0.6
76.56693	0.6
79.05395	0.7
81.03339	0.8
83.06011	0.6
84.04431	6.4
84.08063	5.2
85.38647	0.5
86.09597	2.5
88.19216	0.5
91.05376	0.8
94.06489	5.2
96.04433	0.5
97.06447	0.8
100.03854	0.7
110.05956	0.9
110.07112	2.3
118.06493	0.6
119.04919	0.7
120.08067	1.3
122.05975	17.5
123.04354	0.8
124.07518	0.7
129.10205	1.1
130.05009	0.6
136.07533	2.4
138.05472	0.7
138.06528	0.6
140.07040	13.6
143.08533	0.8
144.04437	2.0
146.05998	9.9
150.05479	3.1
152.07051	1.3
158.09708	0.9
160.07600	1.2
160.10008	0.6
161.09566	0.9
162.05489	2.3
170.09602	0.6
172.03891	15.9
174.05461	4.3
175.03821	0.6
175.08540	0.9
175.12212	0.7
177.10030	0.7
186.09105	6.7
187.08678	0.7
188.09311	0.9
191.05765	1.4
192.06490	0.7
198.09138	2.5
200.07062	0.7
200.10735	2.5
201.10095	2.1
202.10980	2.7
203.11739	9.9
204.06532	23.4
206.08084	6.3
213.10260	2.5
214.08614	14.4
215.08130	6.8
216.08736	0.7
217.09804	1.1
227.11687	1.0
228.10236	4.1
229.09657	2.4
230.10402	1.4
231.11174	8.4
235.11720	0.7
241.09605	2.7
242.08087	3.4
243.11215	1.4
245.09082	4.0
247.10683	1.2
255.06429	1.2
255.11179	7.6
256.09625	2.9
257.12747	1.1
259.10715	100.0
260.10999	2.7
271.05923	3.5
271.10715	2.2
273.12201	7.9
283.10681	3.4
284.08987	0.8
285.12177	1.2
287.10126	1.1
301.11771	69.2
302.12115	2.3
303.09155	0.8
313.11642	5.9
319.12817	69.6
320.13147	1.4
331.12796	2.8
335.12384	0.9
337.13821	18.7
338.14050	0.7
345.14365	5.3
371.17596	0.6
474.98785	0.7
663.26190	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	681.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.5
55.01799	2.4
55.05445	3.3
56.04983	2.5
65.03849	2.3
67.05423	3.0
69.03333	6.2
69.06985	5.9
69.81704	1.4
70.06508	43.7
71.04934	1.5
71.06824	1.6
72.08067	2.9
74.06020	1.7
79.05402	9.9
81.03329	3.5
81.06983	12.6
82.06491	10.0
83.06009	1.6
83.08554	1.6
84.04429	18.2
84.08064	23.8
85.02812	12.1
85.08408	1.9
85.91065	1.5
86.09613	6.2
87.00741	2.3
87.04369	1.5
91.05396	10.0
93.04423	2.0
94.06468	3.0
95.04888	2.4
96.08056	2.8
97.02795	6.2
98.05977	1.8
102.05487	5.8
103.03905	1.3
106.06536	1.6
107.04926	6.2
109.02831	2.7
110.05994	26.7
110.07095	14.7
115.05434	2.6
117.06981	5.7
119.04906	3.4
120.08066	2.1
122.05981	5.7
123.06733	2.8
124.07542	17.3
126.05493	7.4
127.03889	6.9
129.10222	11.2
130.04982	1.6
130.06534	1.5
132.08018	3.3
134.05952	2.8
134.62039	1.3
135.88411	1.3
136.03889	1.5
136.07544	8.1
138.05476	3.2
139.59528	1.4
140.07051	8.2
144.08096	2.6
145.02820	6.3
145.06467	8.0
146.05994	2.6
147.04419	1.7
149.02260	1.6
149.05936	1.5
151.03876	3.1
152.07051	60.1
153.01796	8.7
159.09180	6.8
162.05490	2.5
167.06990	6.0
170.08063	1.9
174.05568	2.2
177.05446	7.7
181.04762	2.0
186.08939	2.2
189.09109	1.8
197.05827	1.6
199.97372	1.9
211.08540	6.8
212.07047	1.8
214.08513	1.7
215.07059	6.9
217.04781	1.9
223.08673	9.0
224.09409	1.8
225.10179	10.4
227.08157	2.9
227.11792	2.9
228.10173	2.8
229.09572	2.2
234.11392	1.5
235.08516	3.2
236.09459	1.9
237.10141	16.9
238.10849	2.9
239.08145	8.8
239.11678	12.7
241.07521	1.7
241.09753	5.9
242.08031	2.2
243.06421	2.5
243.11198	2.0
244.09573	7.0
248.09370	6.4
249.07584	5.6
249.10173	12.5
251.08078	17.5
251.11711	9.6
252.08658	3.3
253.09642	52.5
253.13335	3.1
254.10349	2.7
255.07547	1.7
255.11163	10.2
261.10141	6.8
262.10892	6.0
263.08484	2.2
263.11743	39.9
264.12384	3.4
265.09637	37.0
266.10379	9.6
267.07605	6.2
267.11194	15.9
268.08511	2.1
269.09131	9.0
269.12811	2.1
271.05951	100.0
272.06393	3.5
277.09662	7.8
279.07571	8.5
279.11197	17.8
280.08380	3.5
280.11859	2.0
281.09164	21.4
281.12717	7.1
282.09644	2.9
283.06998	2.1
283.10675	10.2
287.05429	16.8
290.10126	2.0
291.07782	5.7
291.11185	20.0
292.11722	2.7
293.09100	23.0
294.09857	8.2
295.10672	22.2
296.11438	2.0
297.12253	12.3
299.10187	6.5
301.15332	2.4
307.10684	14.0
309.12241	14.6
311.10178	37.1
311.13626	2.8
312.10883	7.0
313.11856	21.8
314.12415	2.3
321.08542	7.6
321.12085	2.4
323.10431	2.8
323.13806	21.4
325.11795	58.8
326.12296	2.4
327.13406	12.8
329.11304	2.7
335.10181	6.0
336.11029	17.6
337.11780	6.0
339.09744	23.5
340.10464	2.7
341.11249	3.1
343.12796	21.4
344.13803	2.2
351.09610	6.5
353.11319	33.6
354.11984	10.0
354.16187	1.6
355.12759	7.9
367.12830	17.1
368.13733	13.9
369.10431	2.9
369.14429	5.8
370.11612	2.4
371.12363	42.9
372.13223	13.0
372.17111	2.5
373.13910	16.2
385.13895	58.3
386.14383	2.5
387.15533	1.8
416.16034	5.9
420.15381	2.6
444.15396	6.9
445.72388	1.9
448.15253	2.0
454.13815	2.0
462.16476	2.7
472.14966	7.0
480.17752	10.6
490.15842	3.4
491.16309	2.1
494.19116	5.9
495.18393	2.6
504.17532	59.2
505.17810	5.6
506.18839	6.7
508.21207	19.2
510.18292	7.6
512.20258	18.8
522.18652	24.6
523.18610	2.5
524.20215	2.9
526.21606	2.7
540.19629	51.2
541.19824	2.0
613.23053	17.0
630.61523	2.4
631.23438	8.5
645.25555	15.2
663.25934	10.0
674.32837	2.1
681.27216	14.5
691.84052	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52877	0.4
53.21041	0.4
55.01814	0.8
55.05438	0.9
56.95491	0.3
61.17778	0.4
63.68618	0.4
63.68958	0.4
67.05402	0.5
68.04950	0.4
69.06988	0.6
70.06508	2.2
76.56381	0.4
84.04385	0.5
84.08047	2.1
85.02826	2.0
88.24854	0.4
91.05438	0.8
94.06492	3.3
95.04869	0.4
95.08531	0.5
97.02808	0.7
97.06435	1.9
99.04412	0.7
103.03831	0.6
109.02843	0.9
110.05992	2.0
121.77226	0.5
122.05991	10.2
124.07500	0.9
127.03851	2.1
131.05363	0.5
136.07559	0.7
140.07040	6.4
144.04436	0.9
145.04973	0.8
146.06021	4.6
148.07526	0.5
149.09521	0.5
150.05443	1.9
152.07039	2.0
160.07561	1.1
160.09990	0.5
162.05516	0.9
163.72307	0.5
170.09647	1.9
172.03918	7.4
172.07573	0.4
174.05417	2.7
175.08665	0.7
175.12280	2.0
186.09125	7.3
187.08597	1.1
188.09393	1.0
191.05766	0.8
192.06560	0.8
196.07538	0.7
196.32784	0.6
198.09111	0.8
199.08685	0.6
200.07202	0.5
200.10646	2.2
201.10239	0.8
202.10942	5.0
203.11792	9.0
204.06549	10.9
206.08105	2.7
213.10228	2.2
214.08617	14.7
215.08141	6.9
216.08824	0.6
217.09714	0.7
227.11720	1.1
228.10231	4.7
229.09792	2.3
230.10481	2.5
231.11244	9.3
238.08475	0.4
240.08897	0.6
241.09669	3.6
242.08028	1.9
245.09039	2.4
245.12898	0.9
246.09843	0.7
247.10750	1.8
255.11281	6.0
256.09540	4.1
257.09128	0.7
257.12772	2.1
259.10733	100.0
260.11108	3.9
272.11383	0.6
273.12366	8.3
283.10663	4.0
287.05475	1.1
287.10239	0.7
301.11789	70.3
302.12054	3.4
313.11673	1.1
319.12848	57.1
320.13199	0.8
337.13885	17.2
345.14377	1.9
510.08429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	3.3
53.14756	1.8
55.01822	3.1
55.05440	3.8
55.79124	2.0
56.04959	4.8
65.03852	2.3
67.05415	11.8
67.85226	1.8
69.03338	5.3
69.06988	5.1
70.06506	66.9
71.04909	3.2
72.08050	2.3
74.05994	2.6
79.05402	12.3
81.03335	9.4
81.06976	19.9
82.06500	14.8
83.06023	3.4
84.04421	28.8
84.08079	27.6
85.02816	16.4
85.08375	2.8
85.09999	2.0
86.09646	16.1
87.00767	3.9
91.05390	12.2
92.41685	2.7
93.04466	2.2
93.05679	2.3
94.06483	5.7
95.04909	4.5
96.04414	2.4
96.08013	4.6
97.02847	3.9
98.05946	2.8
99.04381	4.1
101.07040	3.2
102.05495	4.7
103.03876	2.5
105.06958	3.0
106.06506	2.6
107.04916	2.5
109.02821	2.7
109.06431	3.6
110.05985	56.1
110.07118	17.1
111.00708	3.1
114.35989	2.5
115.08607	3.1
119.04884	4.0
120.08083	2.9
122.05980	10.3
122.07182	2.2
123.06766	4.1
124.07561	29.0
126.05465	17.1
127.03846	10.3
129.10196	15.0
132.08064	4.1
134.05968	3.0
136.07570	14.6
138.05476	5.3
140.07050	10.7
141.10190	2.5
144.08052	5.2
145.02803	4.8
145.04918	2.5
145.06512	2.4
146.05971	5.0
149.02353	2.7
151.03848	8.9
152.07053	92.2
153.01797	4.6
156.89069	2.2
159.09142	12.1
162.05449	4.0
167.07063	5.1
170.08089	8.1
172.03812	2.7
177.05399	9.6
199.08647	4.2
202.05128	2.3
210.09097	3.6
211.08614	10.5
214.08717	3.7
215.06911	3.9
223.08569	14.7
224.09326	4.3
225.10182	17.1
226.10966	3.0
227.08119	3.1
227.11835	3.7
228.10345	3.1
235.08600	4.9
237.10112	25.8
238.10622	2.3
239.08109	13.2
239.11725	18.5
240.08884	4.3
240.12675	2.6
241.09619	4.7
243.06439	3.4
243.11278	3.1
244.09584	12.7
248.09407	4.4
249.10201	18.5
250.10855	9.1
251.08072	30.4
251.11678	17.0
252.08879	5.7
253.09682	79.4
253.13362	5.1
254.10220	3.2
255.11206	16.7
257.09100	3.7
261.10123	9.2
262.10977	10.8
263.08582	4.1
263.11710	67.6
264.12396	2.8
265.09650	48.8
265.12732	4.2
266.10364	21.0
267.07663	11.2
267.11191	23.3
269.09109	11.2
269.12653	3.6
270.09882	3.8
271.02985	3.6
271.05930	94.4
271.08655	4.3
271.10611	3.3
272.09195	3.5
277.09720	19.1
279.07578	16.6
279.11179	25.6
280.08325	4.1
281.09161	32.2
281.12680	9.4
282.09888	5.5
283.10742	16.6
287.05423	28.7
290.10452	3.1
291.07999	4.8
291.11169	32.8
292.08435	3.2
292.11902	5.3
293.09171	31.8
294.09961	5.0
295.10666	37.6
296.11456	5.3
297.12158	20.1
299.10214	9.4
299.13818	2.4
301.15445	4.2
307.10730	24.7
308.11337	2.6
309.12323	19.7
311.10156	59.2
312.11053	16.0
313.11777	35.3
318.17892	2.8
321.08475	11.7
323.10403	3.7
323.13828	35.7
325.11768	97.4
326.12164	5.5
327.13239	23.3
330.12024	4.2
335.10147	8.8
336.11142	22.3
337.11862	10.5
339.09607	33.6
340.10391	14.4
341.11246	4.0
342.12231	2.7
343.12921	33.0
344.13647	4.1
351.09558	14.3
353.11301	53.7
354.12015	9.2
355.13019	17.4
358.15533	3.8
367.12769	33.2
368.13675	23.8
369.10361	4.3
369.14322	13.9
370.11218	2.6
371.12332	68.0
372.13086	25.6
373.13889	20.2
385.09225	4.5
385.13855	95.2
386.14346	5.5
387.15387	2.8
402.14227	2.6
416.16034	5.1
420.15530	3.3
444.15097	12.2
446.16818	2.6
448.14706	3.7
454.13745	4.2
462.16199	3.2
464.18079	2.8
472.14645	10.2
480.17511	13.9
488.18118	3.4
490.15848	5.6
494.19077	9.0
504.17532	100.0
505.18069	11.2
506.18814	13.6
508.21268	21.6
508.27097	2.8
510.18301	10.2
512.20367	29.7
522.18701	42.1
523.19250	3.2
524.19940	5.5
540.19659	76.9
613.22632	31.6
627.24316	3.0
631.23987	4.2
645.25330	29.7
663.26978	19.5
681.27722	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94300	1.6
55.05441	2.0
57.03373	1.7
60.04465	1.4
61.02858	1.6
67.05445	1.6
69.06985	2.8
70.06513	24.2
74.05983	1.8
79.05414	1.7
81.06975	1.9
81.69031	1.3
83.04942	2.0
84.04425	10.1
84.08080	13.3
84.84000	1.4
85.02832	8.2
85.82064	1.4
86.09628	6.0
91.05413	2.7
94.23859	1.5
96.08089	1.4
97.02820	2.3
100.11150	2.5
102.05485	2.9
104.60904	1.6
105.07018	1.7
106.06478	11.5
107.07301	1.8
107.08561	2.5
108.08049	6.6
109.10159	1.8
110.05986	2.0
110.07119	6.2
111.84751	1.4
114.56811	1.8
115.08713	1.7
116.08833	1.7
119.04926	1.6
120.08068	1.8
121.10107	1.6
122.05969	3.8
122.09636	1.5
124.07542	27.2
129.10199	3.8
134.06067	1.5
135.11644	2.2
135.76872	1.5
136.07547	26.0
138.09138	9.3
140.07080	1.8
141.01755	1.7
146.05994	9.4
148.07576	12.4
150.09084	8.2
152.07063	33.9
160.07581	2.3
162.05495	1.6
164.07016	36.1
166.08597	59.5
172.03896	6.2
174.05496	6.9
174.09079	3.4
176.07019	12.4
188.10670	2.9
190.04945	2.2
191.05560	1.6
204.06572	14.1
210.11461	6.9
211.12315	8.8
218.08102	3.0
222.11644	1.9
223.08611	2.1
223.12224	6.3
224.09416	1.8
224.13042	3.4
225.10176	7.3
225.13931	1.8
227.11739	6.5
236.09424	2.8
237.02878	1.9
237.10179	18.8
237.13849	7.7
238.10846	11.6
239.11687	25.0
245.12834	2.0
246.07437	1.8
249.10118	19.0
250.10905	13.1
251.11710	38.2
252.12566	9.9
253.13298	10.0
255.11295	2.0
263.11728	24.5
264.08875	5.9
264.12448	7.4
265.09726	13.6
265.13303	71.8
266.10452	2.7
266.13965	8.2
267.11227	15.4
268.11914	1.8
269.12833	22.9
270.13458	1.9
271.14325	7.3
277.09708	2.6
278.10370	2.2
279.11200	90.9
280.11914	7.3
281.09225	1.6
281.12900	10.1
282.09982	3.1
282.13556	2.3
283.10785	7.8
283.14111	2.7
284.11548	3.5
285.07379	6.6
285.12347	2.7
291.11154	8.1
292.11978	2.8
293.12744	19.3
294.09854	1.8
294.13635	3.3
295.10745	22.5
295.13797	3.4
296.11386	9.1
297.12247	63.2
298.12949	12.3
299.13870	7.2
305.15051	1.8
309.12311	100.0
310.13007	44.4
311.13828	54.2
312.14493	15.9
313.15570	3.0
315.13220	2.9
319.10773	7.0
321.12155	6.0
323.16141	2.0
324.10992	10.3
325.11795	12.9
327.13251	13.9
332.18161	1.8
337.11755	67.9
338.12540	41.7
339.13248	32.2
340.13895	2.3
346.15479	5.9
353.11032	2.8
359.15997	2.6
360.17035	2.7
369.14490	17.7
370.15109	12.0
371.16165	21.2
372.16779	2.3
390.18036	2.1
394.21143	3.0
399.15591	2.3
400.16110	2.9
401.13351	6.7
402.18188	3.8
420.19077	3.8
434.21078	10.8
436.16394	1.7
436.22220	42.0
446.20535	1.7
451.20859	2.1
458.16943	8.4
462.20129	30.1
464.21756	18.1
466.23297	27.8
474.20096	3.1
476.18198	3.5
480.20972	6.6
492.21234	52.2
493.21509	6.1
494.22971	26.0
510.22134	12.5
524.23810	45.7
525.24561	2.3
559.25513	2.5
583.25281	6.3
601.26373	11.9
613.27509	2.0
619.27527	46.4
620.27356	3.2
631.27148	2.4
649.28607	21.4
651.30127	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	681.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81484	0.9
55.05441	4.8
56.04965	1.1
57.03368	2.3
61.94555	0.7
67.05424	2.1
68.04982	0.9
69.06976	2.3
70.06506	8.4
71.01264	1.1
71.04906	13.7
72.05235	1.1
72.08058	1.6
73.02845	1.2
74.06000	1.1
75.04378	1.0
77.06985	0.9
80.04980	0.8
80.99904	0.9
81.03354	1.1
81.06976	3.3
83.04908	3.7
83.08489	1.1
84.04439	4.3
84.08075	9.4
85.02834	21.1
86.03159	1.3
86.09619	3.7
91.05422	3.8
92.10106	1.8
92.63554	1.0
95.01247	1.6
95.08537	4.7
96.83656	0.8
97.02805	7.5
100.11184	3.8
105.06932	1.3
107.08553	1.2
109.02861	1.1
109.10115	1.8
110.07099	4.3
111.04332	0.9
116.83258	1.0
120.08059	2.0
122.05989	1.4
123.11666	1.4
124.07557	31.4
127.03893	4.1
129.05473	1.7
129.10214	6.4
133.10088	2.3
133.78868	0.9
136.07550	6.4
141.01819	4.4
144.04482	1.4
146.05994	8.0
147.04367	1.2
147.06569	1.3
152.07072	1.4
159.09087	1.1
166.08502	1.0
172.03886	10.8
174.05502	9.5
176.07076	6.4
184.07306	0.9
190.05031	1.0
191.05702	1.6
192.06566	1.9
194.08046	1.2
204.06535	14.6
206.08083	2.0
209.16473	1.6
211.08585	1.3
215.11723	1.7
224.09210	1.2
225.10210	2.2
235.08710	1.5
236.09332	1.7
236.20245	1.2
237.10205	8.7
239.11771	1.6
243.11176	12.0
249.10150	8.2
250.10921	3.9
251.11736	16.3
252.12389	1.7
253.09685	5.4
253.13463	1.7
263.11649	1.8
265.09677	19.9
266.10272	2.2
267.11292	7.4
269.12775	5.3
277.09756	1.6
278.10516	7.8
279.07657	4.5
279.11227	22.8
280.11960	7.1
281.12839	1.0
283.10675	2.2
285.12238	8.3
287.10107	3.2
293.09180	6.9
293.12793	7.5
294.09851	2.2
295.10706	3.9
295.14438	4.1
297.12265	13.9
301.11655	1.3
303.13336	20.9
307.10703	4.2
309.12289	7.1
310.12958	1.1
311.10245	4.1
311.13724	1.5
312.10907	7.9
315.13306	5.2
318.15799	1.9
323.13730	1.7
324.11105	3.8
325.11765	17.6
326.12204	2.3
327.13324	48.9
328.13828	1.6
329.11459	1.2
329.14944	5.3
335.10220	4.1
336.10913	1.7
337.11673	6.4
339.13327	100.0
340.13754	9.7
347.16125	2.1
353.11359	11.3
357.14487	1.3
360.17108	1.8
367.12851	64.8
368.13562	15.1
372.13272	3.8
373.14182	2.2
374.14792	1.9
385.13977	9.0
386.14874	5.4
387.15793	5.2
388.16379	3.7
399.15491	20.2
404.15930	2.3
406.17450	3.8
414.14127	4.2
415.15179	10.6
416.15964	11.5
429.73651	1.1
430.17410	1.2
433.16150	1.1
434.16901	2.2
446.17007	4.5
456.15378	1.8
460.18951	1.3
464.21783	2.1
474.16479	7.6
475.17111	4.3
476.17923	1.3
492.21234	46.0
493.21399	5.1
510.22354	7.9
524.23816	84.3
525.24365	9.3
581.23560	1.2
599.24841	39.2
600.24835	5.5
618.00360	1.2
631.27319	6.3
681.30798	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	681.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68672	1.1
55.05441	1.9
56.04981	1.5
60.66590	1.2
69.03346	2.7
69.06976	1.4
70.06511	18.5
71.04907	2.0
72.08070	2.5
74.05972	1.9
81.03335	1.7
81.06981	1.4
84.04424	6.9
84.08051	9.7
85.02815	7.3
86.09637	8.5
91.21982	1.3
93.06976	2.0
97.02826	6.1
100.11201	1.4
105.06910	2.0
108.08002	1.8
109.02856	2.0
110.07101	6.6
122.06001	1.9
124.07548	10.3
125.17696	1.6
127.03844	1.6
129.10185	6.7
133.10071	1.7
138.09038	1.8
140.10707	2.0
141.01768	1.9
145.10114	1.5
146.05984	3.2
152.07069	3.6
166.08601	1.7
172.03918	3.1
174.05493	2.6
176.07036	1.8
184.07191	2.0
194.08104	2.2
204.06487	3.0
210.14893	2.3
225.10301	3.4
236.09325	2.0
237.02808	2.5
237.10120	7.9
239.11714	2.3
240.12428	1.8
243.11276	1.9
249.10175	7.6
250.10919	6.2
251.11725	14.7
252.12598	1.6
253.09630	10.9
253.13297	2.4
263.11765	3.2
265.09598	21.1
266.10413	2.4
267.11209	7.7
278.10333	6.9
279.08078	2.5
279.11203	21.6
280.11880	3.2
283.10587	2.6
285.12222	2.6
293.09103	11.9
293.12726	8.7
294.09973	3.4
295.10730	10.7
295.13831	3.9
296.11539	1.6
297.12271	9.7
299.13913	2.4
301.11899	2.1
303.13254	3.7
307.10666	2.9
308.11310	1.9
309.12283	10.7
311.10275	3.4
311.14014	6.2
312.10953	12.8
323.13693	1.9
324.10870	6.2
325.11890	15.4
327.13324	71.6
328.13690	3.3
335.10046	3.5
337.11777	2.5
339.13303	100.0
340.13916	8.7
346.15421	1.7
351.13123	2.7
353.11188	13.8
354.12079	2.0
367.12787	88.2
368.13651	16.6
369.14383	13.1
385.13724	3.1
389.49332	1.8
399.15411	14.3
415.15228	2.1
416.16257	2.7
462.20081	2.4
464.21548	3.6
474.16486	2.8
492.21213	77.2
493.21255	5.1
510.22009	11.5
524.23792	81.8
525.24377	2.7
599.24921	14.6
631.26337	2.1
649.27960	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	682.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10647	0.2
53.56873	0.2
53.93903	0.2
55.05459	0.3
56.04965	0.3
57.03367	0.4
61.02850	1.2
64.87941	0.2
65.03873	0.2
67.05428	0.2
69.03353	2.3
70.06511	5.0
72.08078	0.9
73.02850	0.3
81.03337	1.1
82.01560	0.2
83.06026	0.2
83.44469	0.2
84.04423	3.6
84.08075	3.1
85.02825	7.3
85.06468	0.5
86.09622	0.9
87.04382	0.3
91.05404	1.2
95.08523	0.4
97.02835	1.7
99.04401	0.4
101.02307	0.2
102.05472	0.9
103.03845	0.2
104.98714	0.2
107.08593	0.3
109.02863	0.9
110.07101	1.2
119.04893	0.4
119.08572	0.2
120.08065	2.5
127.03893	1.5
129.10199	0.4
131.08549	0.3
133.02740	0.2
136.07553	0.3
137.02321	3.4
137.05937	0.2
145.02840	1.0
146.05980	0.4
146.33607	0.2
147.04410	0.3
149.02299	0.3
149.09621	0.3
166.08598	0.3
177.05374	0.3
181.04956	0.4
181.06401	1.0
191.10626	0.3
198.68860	0.2
199.07542	5.3
209.11707	0.4
216.85860	0.2
227.07013	3.2
227.12547	0.2
237.05499	1.6
239.06967	0.5
255.06473	100.0
256.06796	4.5
271.05936	0.4
279.06458	1.3
297.07547	3.8
321.07458	0.3
351.53000	0.2
371.00510	0.2
411.15631	0.2
417.11731	15.2
417.17343	0.5
418.11893	0.8
503.11594	1.1
665.16962	10.4
666.17371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	5.7
55.05450	35.0
57.03368	16.2
57.07013	5.4
62.12165	2.3
63.23519	2.5
67.05080	4.0
67.05426	100.0
68.23455	2.7
69.06989	28.6
71.08546	6.2
79.05400	55.0
81.06970	74.3
83.04873	3.9
83.08537	17.9
91.05402	44.1
92.10953	2.6
93.06965	62.2
95.04900	12.3
95.08542	41.5
97.06454	5.5
97.10094	5.2
97.40315	2.5
99.08027	4.2
105.06967	29.0
107.08533	34.2
109.06468	4.0
109.10110	32.3
117.06981	17.0
119.08523	17.8
120.66460	2.4
121.10104	16.1
123.11649	5.1
125.09566	3.0
127.92688	3.3
131.08522	18.4
133.10080	12.3
135.11664	14.6
145.10120	5.4
147.11685	4.3
149.13193	6.4
159.11684	3.8
161.13258	4.7
163.14809	4.2
173.13266	4.3
179.14247	3.8
227.12727	4.5
229.14258	11.1
253.93092	2.7
261.22031	3.7
269.17224	5.7
335.25708	28.7
351.25458	4.2
529.32941	2.5
529.38782	37.3
611.46539	9.9
629.47540	10.2
683.41949	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	683.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56973	0.3
53.26013	0.3
53.89315	0.3
56.04963	0.8
56.14732	0.4
61.02854	0.9
68.62009	0.3
72.03687	0.4
73.02821	0.4
77.14685	0.3
84.04427	28.3
84.04940	0.9
85.02819	1.8
85.98478	0.4
91.03875	0.8
91.05371	0.7
92.16003	0.4
93.06947	0.4
94.29210	0.3
96.31561	0.4
102.05451	0.6
103.05393	5.9
104.47961	0.3
107.04899	2.4
120.08056	100.0
121.08382	2.1
125.30845	0.4
126.85791	0.4
127.03871	0.9
128.21301	0.4
130.04950	5.6
131.04883	5.5
149.05962	1.9
163.06015	0.8
165.31133	0.4
166.08591	27.8
178.63744	0.4
186.09108	7.6
232.09659	5.0
256.78870	0.4
278.10147	3.1
295.12827	26.9
296.12939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	2.1
56.04965	1.3
57.03368	1.4
67.05437	1.5
69.03340	5.1
69.06980	1.5
70.06140	1.6
70.06509	26.1
71.04914	6.2
72.08064	2.8
79.05403	1.2
81.03334	6.2
82.06512	1.3
84.04440	9.6
84.08076	11.7
85.02830	12.7
86.03156	1.7
86.09628	5.4
87.00754	4.8
87.04433	1.3
91.03854	2.4
91.05402	1.5
93.06966	1.7
94.06477	1.7
95.04905	1.9
97.02819	5.8
97.90382	1.2
100.11172	2.6
101.07082	1.9
102.05464	1.6
106.06500	6.5
107.62713	1.4
108.08083	1.2
109.02823	2.3
110.05993	2.8
110.07127	7.1
111.04393	1.9
113.41760	1.3
117.03321	2.8
120.04435	1.8
120.08064	2.2
121.02843	2.1
122.05980	8.8
127.03846	2.5
128.04227	1.7
129.10204	3.0
136.07561	21.7
138.05516	7.0
140.07040	8.1
144.04454	1.6
145.02832	6.8
145.05000	1.5
146.05992	5.7
146.09631	1.4
148.07542	11.3
150.95885	1.2
151.03908	2.5
152.07060	2.8
153.01785	1.6
156.06560	2.3
159.02940	1.5
162.05507	1.6
162.09117	2.6
163.06049	1.6
164.07022	30.2
165.01845	1.6
166.08588	33.0
166.09857	2.1
172.03912	8.4
174.05496	4.9
176.07060	3.0
177.05405	9.5
182.15323	5.0
190.04897	2.2
204.06523	8.3
208.09691	2.7
209.10751	1.4
210.14890	2.1
221.10959	1.3
223.12282	2.9
225.10254	2.8
225.13867	1.5
227.11743	1.9
235.08676	4.4
235.12192	2.6
237.10143	12.1
237.13795	2.7
238.10991	7.2
239.11729	11.5
243.11188	1.9
248.09387	5.8
249.10135	11.6
250.10992	8.4
251.11745	20.4
252.12538	1.8
253.09610	6.8
253.13293	5.1
255.11272	2.1
259.10822	2.8
262.10870	3.0
263.11737	35.8
264.08920	1.5
264.12390	7.5
265.09683	15.4
265.13312	35.3
266.10318	4.9
266.14041	3.0
267.11255	10.1
267.14023	1.1
268.12045	1.4
269.09314	1.5
269.12787	3.0
271.06049	5.0
277.09656	2.9
278.10376	3.0
279.11230	61.4
280.11786	5.8
281.12698	5.2
283.10565	1.9
283.14438	1.8
285.12286	1.7
287.05453	44.2
287.10349	5.0
287.13666	1.4
288.05807	36.1
289.06033	26.1
291.11197	11.9
292.11996	2.6
293.09183	5.9
293.12778	13.1
295.10684	18.3
296.11530	2.8
297.12253	24.2
298.12949	2.9
307.10873	1.8
309.12283	80.2
310.12930	18.3
311.10284	4.6
311.13812	25.4
312.14417	2.9
313.11755	7.1
313.15308	2.2
319.10794	7.4
321.12222	1.9
324.10739	1.6
325.11758	13.0
331.12854	1.4
335.10074	6.7
336.10883	1.4
337.11761	100.0
338.12457	26.5
339.13309	19.8
345.03149	1.4
353.11267	21.1
354.11685	1.5
355.12860	8.5
369.14392	38.4
370.14816	3.0
371.16013	9.9
434.17035	1.5
448.18341	1.8
450.20111	2.2
458.17068	4.8
468.21252	18.8
476.17923	13.2
494.19168	41.8
495.19427	1.5
512.20099	14.3
526.21759	63.8
527.21655	3.0
615.24005	3.0
633.25201	7.4
647.26282	1.4
651.26691	17.6
683.28802	6.8
683.50250	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	683.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43888	2.1
56.04962	2.5
56.89842	2.4
63.64713	2.4
64.36623	2.6
67.05413	5.2
69.06985	14.7
70.06513	28.7
71.06822	2.4
72.08073	4.2
73.66448	2.5
79.15106	3.0
84.04420	5.6
84.08068	16.9
85.02805	3.6
86.09615	6.5
91.05402	2.6
92.10930	2.9
94.06491	26.5
95.04906	3.6
96.04388	3.7
97.05393	2.5
108.02025	2.9
108.08044	3.4
110.05959	5.4
110.07120	11.8
112.07539	10.8
116.04926	3.0
120.07999	2.8
122.05970	93.4
124.07559	3.8
129.10228	3.6
136.07536	71.7
140.07042	90.6
144.04401	5.5
146.05977	31.9
151.03902	43.4
152.07047	11.9
158.08102	4.0
162.05478	5.5
164.07025	97.6
164.08423	3.3
172.03882	69.0
174.05479	22.6
177.35971	2.8
182.08058	35.9
191.05757	5.5
192.06522	4.3
204.06517	100.0
206.08069	20.3
223.08916	3.1
243.11256	5.6
265.09506	4.3
265.13458	3.1
267.11090	3.0
279.11185	4.6
279.96570	2.8
285.12219	13.9
295.10706	3.6
297.12207	5.7
299.10144	4.6
301.11810	3.6
303.13321	17.8
311.10141	2.9
313.11731	18.0
324.10779	6.8
331.12781	6.1
341.11508	3.7
345.14502	27.2
371.12186	5.0
475.16544	4.1
482.19333	8.1
494.19077	4.7
496.20438	5.7
527.03546	3.1
647.26678	3.8
651.25732	5.6
705.23480	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	683.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81618	1.3
55.05453	2.0
56.20028	0.8
57.03369	0.9
57.07007	1.3
59.69769	1.0
67.05422	10.3
69.06979	2.2
71.08537	1.1
73.03117	1.0
79.05393	1.5
81.06985	7.2
81.93716	1.0
93.06960	2.0
95.08547	4.0
105.06969	1.7
107.08561	2.2
109.10132	1.9
112.19543	1.2
149.19220	1.0
162.20972	1.0
170.99377	1.0
212.11124	1.1
353.26541	100.0
354.26929	4.8
464.10175	1.3
678.11859	1.6
683.44598	12.5
684.44348	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64915	0.1
61.00798	0.2
61.01083	4.3
61.02852	0.7
66.63794	0.1
69.03350	0.3
70.06513	1.8
72.28365	0.1
73.02847	0.3
75.02607	2.0
83.47606	0.1
84.04424	1.0
84.08057	0.7
85.02828	1.5
86.09608	0.2
91.03881	0.6
95.85801	0.1
97.02831	2.2
102.05469	0.2
103.02093	0.2
106.06448	0.2
110.07115	0.2
116.07048	0.3
118.05054	0.1
119.03481	0.2
120.08074	0.8
127.03885	0.9
129.10182	0.2
136.06168	100.0
137.04848	0.2
137.06616	1.2
137.32263	0.1
144.08089	0.3
145.03163	1.1
145.04922	0.5
151.03885	0.3
163.04195	0.4
163.05984	0.5
181.04942	0.8
237.02834	0.2
262.27203	0.2
298.09650	15.3
299.09921	0.8
541.73511	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	684.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	12.3
55.01803	6.2
56.04959	2.0
57.03387	4.6
61.02856	19.0
65.03860	2.1
67.05451	2.8
67.46985	2.3
69.03357	29.0
69.03676	3.0
69.06973	3.5
70.06509	21.4
71.04903	5.2
72.08051	4.1
73.02821	13.4
79.05398	12.5
81.03339	38.1
81.06975	10.7
84.04453	4.7
84.08057	12.9
85.02843	69.3
86.09635	12.1
87.00774	19.5
91.03883	20.5
91.05392	6.1
92.10239	4.4
93.06972	4.2
95.04852	3.1
95.08527	3.2
97.02827	46.1
99.04419	18.5
100.11161	3.2
102.05441	2.7
103.03879	3.4
104.34671	2.4
105.01804	5.9
105.06972	4.8
107.04897	19.3
109.02843	24.0
110.07109	4.8
114.25403	2.5
115.05426	5.8
117.06973	35.7
120.08044	3.3
121.06273	2.6
122.05949	3.6
122.81787	2.7
123.04376	4.0
124.05184	3.8
125.05965	2.9
127.03874	35.0
129.06964	3.9
129.10210	4.6
131.08508	5.7
133.10071	3.0
135.11674	4.6
136.07545	5.2
144.05690	3.4
145.04973	13.4
145.06468	72.6
146.99608	2.6
152.04762	3.5
155.05952	3.4
156.05704	18.6
159.02882	4.7
159.08011	17.4
161.05913	6.2
163.06018	9.7
167.07027	65.8
173.05945	98.9
175.07507	2.6
187.07480	12.0
190.06213	60.0
191.06760	2.6
202.06180	3.6
203.07019	5.1
205.06757	5.0
205.08588	100.0
208.09758	3.5
217.08549	61.7
219.08128	3.0
231.08363	3.1
235.09578	23.1
247.09554	9.4
265.10727	43.7
269.08051	4.2
270.76691	3.0
271.05869	4.9
279.10135	3.4
315.08560	11.5
323.12756	2.9
330.10858	13.8
331.11301	3.8
339.12259	2.7
351.12000	4.1
383.14771	9.9
393.56821	3.1
398.65826	2.9
401.15952	23.1
683.52362	3.1
684.31244	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	684.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	7.6
55.01813	8.5
56.04980	0.6
57.03370	6.1
58.34009	0.5
61.02848	3.9
68.99699	2.6
69.03350	21.6
70.06498	3.5
71.04901	3.6
73.02820	5.3
73.70308	0.6
78.04633	1.0
79.05401	8.0
81.03337	38.6
84.04416	1.1
84.08067	1.2
85.02826	42.7
86.09615	1.0
87.00752	21.3
91.03885	3.1
91.05397	3.7
95.04887	4.6
97.02822	20.3
99.04398	7.7
101.60606	0.6
103.05387	3.1
105.01828	9.9
105.06976	3.1
107.04891	17.8
108.04401	3.4
109.02068	0.7
109.02833	18.0
110.07104	0.7
115.04004	0.6
115.05415	10.6
116.06202	1.1
117.01791	3.6
117.06966	28.9
119.66833	0.6
123.04358	6.4
124.05170	4.0
125.05938	1.2
126.05463	1.5
127.03873	23.9
128.06210	2.4
129.01807	2.8
129.06949	4.2
130.04076	0.8
131.04881	4.0
131.08511	5.7
133.06451	1.5
137.05875	0.6
141.06931	2.7
143.04913	1.3
144.05644	5.5
145.05011	4.8
145.06459	70.3
146.06808	0.8
147.08015	1.3
149.06004	0.9
152.04659	1.3
152.88795	0.7
155.04919	0.9
155.06021	6.4
156.05685	12.8
157.06458	4.4
159.02843	9.4
159.08032	14.0
160.05095	1.4
161.05959	7.4
163.03830	0.7
167.06999	76.9
168.07344	0.7
172.05191	1.4
173.05945	100.0
174.06400	2.7
175.03864	1.0
175.07545	3.3
177.05379	1.5
181.04893	2.8
183.06496	0.8
184.05205	5.0
186.06734	0.7
187.07530	9.9
190.06210	64.3
191.06847	4.2
193.08536	2.4
202.06184	8.3
203.06955	8.3
204.07837	1.2
205.08560	92.9
206.08859	2.7
207.06459	1.5
207.10287	0.8
215.06976	1.5
217.08557	58.9
218.07135	0.9
218.09128	1.3
219.07986	3.3
219.10124	4.9
223.09547	2.7
229.08611	1.1
230.06676	0.7
231.04904	3.3
231.07996	1.0
231.10063	0.8
235.07309	1.3
235.09583	23.1
236.08246	0.8
237.08963	0.9
247.07375	3.1
247.09601	9.6
248.08081	3.2
249.05710	0.8
249.08969	0.8
254.05655	1.3
255.06381	1.0
259.07584	1.1
261.08859	0.8
263.10657	1.4
264.07693	2.2
265.10657	39.1
266.11212	0.7
269.08002	4.1
271.05829	0.9
271.09576	3.5
272.06479	1.4
275.14966	0.7
276.07623	1.1
277.08487	1.4
279.10123	1.5
282.08829	1.1
290.09177	1.0
291.10123	3.2
293.07855	1.5
301.06992	0.7
307.09497	1.3
308.10300	1.0
309.11127	0.7
311.12848	1.0
315.08624	12.2
316.08813	0.9
319.09467	2.1
321.07501	1.0
323.12781	2.6
325.10675	1.3
330.10959	13.7
331.11661	3.7
337.10437	0.9
339.12271	1.0
343.11783	1.1
351.12222	4.4
352.12634	0.8
353.10400	1.1
368.12372	1.5
369.13190	2.9
371.14795	2.6
379.76340	0.7
383.14850	14.4
384.15286	0.8
394.35034	0.6
401.15854	19.1
402.15695	0.8
417.15421	0.9
609.04620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	1.3
53.03885	1.7
55.01817	3.0
55.05456	30.2
57.03378	17.6
57.07003	5.1
60.18188	1.3
65.03851	2.5
67.05431	100.0
69.06987	30.3
69.13609	1.1
71.04919	1.8
71.08547	10.4
72.25757	1.2
79.05410	31.3
79.27401	1.2
81.06976	82.9
81.68091	1.1
83.04913	3.0
83.08539	20.2
85.06463	2.5
85.10121	1.3
86.36011	1.2
91.05406	26.0
92.10260	3.7
93.06969	45.3
95.04894	7.9
95.08534	49.6
96.08916	1.7
96.30083	1.2
97.06477	8.7
97.10110	10.6
99.08034	4.9
102.06101	1.1
105.06985	14.5
107.04860	1.5
107.08546	22.7
109.06478	2.0
109.10113	31.0
111.08046	6.8
117.06979	2.5
119.08537	9.5
121.10120	13.9
123.08031	1.7
123.11668	7.6
125.09585	5.0
131.08524	2.8
133.10120	11.4
135.08040	1.7
135.11674	7.3
135.80617	1.2
137.13234	1.7
145.10107	1.9
147.11693	6.4
149.13258	6.7
151.11200	2.4
152.03065	1.3
159.11644	2.9
160.68779	1.2
161.13252	3.1
163.14763	1.8
165.12656	2.1
165.96176	1.2
168.60986	1.4
173.11655	2.9
175.14833	1.8
227.12741	8.1
229.14313	11.8
269.17361	14.1
277.21683	9.4
295.22452	2.2
319.26129	1.4
337.27347	40.8
338.28006	1.6
351.25171	5.3
491.37250	21.5
492.37421	2.5
531.40393	58.5
532.40607	6.8
608.37970	1.4
613.48224	9.7
631.48859	12.7
684.44226	2.1
685.45868	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	685.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.5
54.74506	0.3
57.38592	0.3
61.02849	0.4
69.03343	2.7
70.06495	1.8
71.04899	0.8
73.02830	0.7
81.03339	2.6
84.08050	0.5
85.02825	4.5
94.06532	0.3
95.04905	0.4
97.02821	47.5
98.03129	0.6
99.04379	3.9
103.03875	4.5
107.04880	2.4
109.02822	2.6
111.04407	0.3
121.02813	11.2
127.03873	100.0
128.04189	1.6
129.10149	0.6
131.26460	0.4
136.07654	0.4
145.04962	2.2
151.03900	0.6
162.09091	1.4
163.06018	0.7
163.09424	0.4
173.64529	0.3
180.10158	1.4
185.53902	0.4
187.05930	0.5
208.09550	2.6
209.09911	0.8
217.04919	2.8
227.08102	0.6
235.06017	0.5
244.11588	0.4
260.10928	0.4
266.10303	0.4
271.07864	0.5
287.10345	2.6
288.10620	2.0
353.11349	0.4
354.11578	0.5
433.13391	2.9
494.19321	0.4
495.19183	0.7
496.19882	0.4
526.21857	0.4
527.22131	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	685.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	1.1
55.05455	2.2
56.00829	1.0
57.07020	10.8
59.95599	1.1
60.08092	1.4
61.17196	1.2
67.05434	10.6
69.06994	4.6
71.08553	8.0
79.05418	10.4
80.58479	1.0
81.06989	11.0
83.08526	5.0
85.10097	1.3
86.09649	6.6
93.06972	8.9
95.08528	11.8
95.39076	1.1
102.48367	1.2
102.58659	1.1
105.06980	1.6
105.46390	1.1
107.08555	6.3
109.10110	1.8
112.99991	4.8
117.06939	1.7
117.57349	1.1
119.08572	2.0
121.10094	4.4
123.11689	1.2
124.99971	4.5
131.08578	1.3
135.11681	1.4
142.04979	1.3
149.13216	1.4
149.49545	1.0
169.02628	2.0
184.07292	15.2
243.21005	1.4
269.24194	1.2
313.27451	2.4
317.24707	2.7
373.01205	1.1
378.09256	1.1
443.04681	1.2
573.48651	26.5
685.43445	100.0
686.43970	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	685.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	28.9
57.03361	26.8
57.07005	50.8
67.05426	49.9
69.06970	34.4
71.08546	35.8
72.04430	5.3
79.05406	37.4
81.06970	52.8
83.08538	20.4
85.10104	10.2
86.09611	6.0
88.11183	4.3
91.05410	33.0
93.06973	33.8
95.04879	4.8
95.08523	43.5
97.10058	5.5
98.98409	18.7
105.06979	42.8
107.08529	9.7
107.50140	4.2
109.10072	19.4
117.06950	9.6
119.08524	22.6
121.10075	8.1
129.06987	4.9
131.08537	21.2
133.10075	17.5
143.08507	9.2
145.10065	19.0
152.80670	4.2
159.11661	8.6
163.11256	4.7
171.11699	6.8
173.13260	7.6
184.07207	7.5
185.13187	10.8
203.14326	7.7
219.17288	6.3
257.19000	9.4
275.19904	9.0
292.08276	4.3
308.29486	8.3
313.27206	23.9
349.23843	7.6
587.46368	100.0
588.46680	23.8
685.46228	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	6.7
57.06997	4.9
67.05416	21.2
69.06982	6.6
79.05392	11.2
81.06978	18.9
83.08549	3.8
90.68758	2.5
91.05396	5.7
93.06976	11.4
95.08527	15.2
97.06458	3.4
97.10096	5.1
98.20276	3.2
104.85135	3.0
105.07012	5.8
107.08507	4.3
109.10088	5.2
119.08543	6.0
121.10110	4.7
210.41423	2.9
339.28857	4.6
573.48615	6.1
685.44318	100.0
686.43982	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	685.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88869	1.4
52.99825	1.5
54.97474	1.7
55.05453	12.4
57.07021	2.7
64.50925	1.7
64.54225	1.8
67.05434	14.8
69.06997	8.3
71.08515	2.3
79.05405	9.1
81.06989	16.5
83.08545	5.1
89.18037	1.9
91.05383	3.7
92.91945	2.1
93.06974	9.9
95.08549	10.7
97.10134	9.2
105.06980	4.8
107.08533	4.6
109.10123	8.4
121.10120	4.0
125.09562	2.9
133.10075	2.9
135.11687	2.5
349.19843	10.7
379.37704	2.1
405.22574	2.7
597.41901	2.9
632.49902	3.4
649.50568	2.4
685.46344	100.0
686.46729	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	685.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81477	1.5
55.05454	14.5
57.03366	2.2
57.07012	46.1
57.28147	1.7
57.53205	1.5
58.21603	1.3
60.08091	1.7
67.05425	41.1
68.53361	1.8
69.06979	11.0
70.35965	1.5
71.08546	28.5
79.05405	28.5
80.78475	1.8
81.06972	45.6
83.08527	11.7
85.10098	14.0
86.09632	19.1
91.05386	20.4
93.06974	39.6
95.04906	4.2
95.08530	45.5
97.10114	2.1
103.31355	1.5
105.06984	14.1
107.08540	22.1
109.10076	16.1
112.99966	26.8
117.06966	3.9
119.08548	9.8
121.10103	17.1
123.11668	3.1
124.99953	12.0
131.08517	7.7
133.10120	7.2
135.11670	7.9
145.10091	7.9
147.11656	3.8
149.13229	3.9
159.11623	3.4
161.13258	2.2
169.02650	13.2
184.07291	26.9
187.14789	2.5
243.20984	3.8
261.21982	12.7
313.27328	14.5
317.24698	20.1
446.21982	2.4
452.61130	2.0
573.48676	100.0
574.48999	6.9
685.43512	35.8
686.44122	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	686.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	2.0
55.05452	12.1
57.03358	2.4
57.07013	56.7
60.51831	0.8
63.94449	0.9
67.05429	17.9
68.05756	1.8
69.06985	13.1
71.04892	1.0
71.08549	39.6
72.21355	1.0
72.30344	0.9
73.06464	9.5
75.98833	0.9
79.05392	8.3
81.06969	14.8
82.07290	2.4
83.04904	1.6
83.08550	8.0
83.82454	1.2
85.10109	19.6
87.04405	9.0
89.05956	100.0
91.05395	4.5
93.06972	9.8
94.07312	1.5
95.04879	1.5
95.08543	10.6
96.08884	1.5
97.10092	9.0
98.72758	1.2
99.11655	1.1
105.06974	4.8
107.06998	5.9
107.08523	5.2
109.10109	7.4
117.09071	2.5
119.08524	2.0
120.53121	1.0
121.10075	1.7
125.09530	1.5
130.08568	1.2
131.06998	1.2
133.08577	30.2
133.10097	1.5
135.11723	1.2
161.11711	1.4
163.50232	1.0
177.11188	16.5
221.13791	2.4
255.26857	1.1
258.96323	1.1
283.17270	1.6
284.90402	1.0
299.29327	7.1
337.27179	1.6
338.27615	1.9
343.31924	5.7
362.36362	1.3
459.27744	1.5
477.73453	1.4
532.40106	1.9
533.40253	1.8
574.48517	2.1
575.49591	1.5
588.46570	1.4
669.51373	8.9
686.44165	7.6
686.55200	3.2
687.47681	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40663	1.1
53.03620	1.2
55.05460	1.6
57.03360	1.2
57.28752	1.1
58.17903	1.1
61.83738	1.2
67.05425	7.2
69.07000	1.5
79.05407	1.4
81.06974	6.0
81.97724	1.4
86.09653	1.7
92.10889	1.5
93.06976	2.1
95.08521	2.4
95.27396	1.4
109.10141	1.3
166.70753	1.4
174.11378	1.7
184.07333	2.6
223.31873	1.5
312.06989	1.3
335.22336	1.4
351.21442	1.9
407.23965	1.7
575.50098	1.5
686.46863	5.9
687.47791	100.0
688.48199	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	688.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.5
55.01802	0.6
56.04962	0.3
56.38283	0.2
57.03357	0.5
61.02837	0.6
63.62229	0.2
67.05431	0.3
69.03350	3.2
70.06509	5.7
71.06811	0.3
73.02809	0.3
78.04620	1.6
79.05405	3.4
81.03339	3.2
81.06960	0.4
84.04424	2.2
84.08060	1.7
85.02348	0.3
85.02830	5.9
86.09619	0.5
87.00742	2.2
91.05389	2.1
91.93555	0.2
93.06968	0.4
94.04117	0.3
95.04903	2.0
95.08494	0.3
97.02826	2.4
99.04371	1.0
101.07095	0.4
102.05474	0.4
103.03856	0.4
103.05409	3.6
105.01818	0.5
105.06979	5.6
106.04111	0.5
107.04900	6.8
109.02824	1.7
109.06426	0.4
110.07124	0.5
111.04385	1.0
115.05382	2.0
117.03341	0.3
117.06973	1.4
119.04900	0.5
121.06467	2.7
122.03571	0.4
123.04384	4.9
123.08039	0.4
124.03899	0.3
124.05188	3.2
125.05973	1.1
127.03864	2.7
128.06177	0.4
129.07027	0.3
129.10191	0.5
131.04900	7.7
131.08521	1.0
133.06465	5.2
134.03577	0.3
135.04314	0.4
135.07994	1.5
136.07513	0.3
137.05971	2.9
141.06999	1.0
143.08516	0.5
144.05685	0.6
145.02812	0.3
145.04947	0.3
145.06473	3.0
145.10066	0.3
147.04391	1.7
147.08028	0.6
149.05963	0.5
151.03850	1.5
151.07512	2.6
152.04654	1.9
153.05418	0.4
156.05678	0.3
157.06395	0.4
158.07190	1.1
159.02859	0.5
159.08052	1.8
160.05138	0.3
161.05948	7.2
163.07510	10.1
166.06181	0.4
167.07004	100.0
168.07323	2.6
169.06479	0.4
172.05226	0.3
173.05925	1.4
173.09612	2.1
174.38776	0.3
175.07509	2.4
177.05498	0.3
177.09048	1.1
178.06218	0.3
179.06967	1.9
181.08536	3.5
187.07529	2.8
189.09053	1.0
191.07014	0.4
192.07791	0.5
193.08572	12.5
194.08942	0.3
195.10010	0.3
199.07533	0.5
201.09097	1.4
203.08661	0.3
205.08574	1.9
207.10121	0.6
211.09642	0.3
217.08469	1.2
217.13307	0.3
219.10118	2.7
223.06987	0.3
231.07898	0.3
231.10089	0.3
233.11710	3.0
237.11130	1.5
247.37859	0.3
249.11237	0.9
251.12718	0.4
263.10648	0.9
271.05890	0.5
276.77979	0.3
277.10770	0.3
290.09122	0.3
291.10129	1.0
295.13156	0.5
323.12659	1.3
323.48120	0.3
325.10959	0.3
355.15262	4.8
383.27051	0.3
387.17899	7.4
388.18234	0.4
405.19000	22.5
406.19247	1.0
407.82343	0.2
422.19077	0.3
423.19861	1.9
429.18982	0.3
506.64981	0.3
515.96912	0.3
531.22339	0.4
550.65869	0.2
649.67670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52949	0.5
53.03883	6.4
54.00880	0.6
55.01812	7.1
55.05433	3.3
57.03368	7.1
61.02853	10.3
61.08482	0.5
65.68174	0.6
67.05427	1.3
68.99690	1.6
69.03346	49.0
69.06980	5.0
70.06511	5.8
71.01241	0.8
71.04910	7.3
72.08076	0.6
73.02435	0.9
73.02827	23.3
74.73401	0.6
79.05398	1.3
80.30003	0.6
81.03333	31.3
81.06953	2.5
83.01225	0.7
83.04910	5.1
84.04380	1.0
84.08065	3.4
85.02823	100.0
86.03159	0.8
86.09648	2.2
87.00746	51.1
87.04363	1.2
91.03867	1.1
91.05410	1.3
93.06951	1.1
95.04887	1.2
97.02815	58.4
98.97495	0.7
99.04379	17.0
100.11174	2.6
101.02311	0.8
103.03856	2.7
105.01799	64.4
105.06959	1.4
107.04892	1.0
109.02065	1.3
109.02821	41.2
110.07113	1.0
111.04356	3.0
115.03838	2.5
116.98604	0.7
117.01797	3.0
119.08521	1.2
121.06405	0.6
123.04337	1.4
125.02291	0.8
127.03867	79.0
128.07054	0.8
129.01770	4.2
129.10220	0.8
133.10069	4.2
136.07541	1.3
137.09540	0.7
141.06522	0.8
143.08540	1.4
145.04918	21.0
147.02780	1.0
147.08032	2.7
151.03860	1.5
153.05458	0.8
159.02853	14.2
161.09572	6.5
169.04886	0.7
171.02806	0.8
181.04839	0.8
182.15315	2.4
184.07266	1.2
189.03900	3.2
189.09047	0.7
207.10124	2.3
210.14833	3.1
213.03889	9.8
223.06001	1.2
231.04944	27.9
233.06410	0.7
249.05975	20.8
253.06966	3.1
271.08218	1.3
273.05966	3.6
301.07391	0.8
329.12140	4.2
345.07999	2.4
357.08032	1.3
363.08902	3.2
365.07162	0.7
375.09003	3.4
393.10074	7.2
400.25323	0.7
410.15610	0.7
411.11142	4.5
633.85876	0.7
645.21106	0.8
669.42554	1.0
687.44275	0.8
689.19073	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	688.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07018	1.3
60.08094	8.5
67.05412	1.0
68.08677	0.7
68.31900	0.9
71.07281	4.3
71.08549	1.0
72.56023	0.9
79.05415	1.0
86.09627	44.4
92.10280	1.3
95.08512	1.7
98.98412	4.0
104.10703	4.4
112.45960	0.9
120.47789	1.0
124.99961	30.1
160.51633	1.0
184.07301	100.0
213.63118	0.9
341.50772	1.0
343.08182	1.0
387.97656	1.1
658.95966	1.0
688.41565	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	688.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32363	0.3
52.44848	0.3
55.05434	0.7
56.04970	0.5
58.06527	0.4
58.41445	0.3
60.08094	9.2
67.05421	0.4
71.07286	3.9
79.05406	0.4
81.06950	0.8
86.09624	44.1
87.09972	0.4
93.06963	0.5
98.98398	4.1
104.10699	3.3
114.14345	0.4
116.99382	0.3
119.01875	0.6
124.99961	33.3
137.03049	0.4
143.01016	1.5
162.03151	0.4
168.05455	0.3
173.02995	0.3
184.07294	100.0
185.02911	0.3
185.07747	0.4
188.82639	0.4
218.23256	0.3
292.20041	0.3
427.19601	0.3
430.32642	0.4
473.26276	0.3
515.80054	0.3
590.42133	0.4
688.41779	7.6
689.41943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29005	0.5
55.05446	0.7
56.55709	0.5
56.88609	0.6
57.07010	1.5
58.06517	0.6
60.08098	8.2
67.05422	3.3
69.06983	1.1
70.10824	0.7
71.07272	4.2
79.05385	0.9
81.06959	4.0
82.16622	0.6
86.09623	45.0
89.00896	0.5
89.05991	0.6
93.06919	0.6
95.08517	1.5
98.98367	4.7
101.71192	0.7
104.10676	3.8
105.41486	0.6
117.15032	0.8
119.08501	0.6
124.99949	29.7
143.01074	0.7
184.07294	100.0
185.07631	1.2
310.68814	0.7
688.44879	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	689.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	2.1
56.04984	1.2
56.96493	1.5
67.05416	1.8
69.03349	2.6
69.32681	1.4
70.06510	12.0
71.04933	2.5
72.08076	2.2
75.85043	1.2
76.66574	1.2
81.13756	1.3
83.05070	1.2
84.04439	6.9
84.08060	13.0
85.02837	7.0
86.09640	6.9
91.05400	1.8
93.85751	1.3
95.08551	1.8
97.02857	5.3
105.07045	1.4
109.69487	1.4
110.07157	7.0
120.08092	3.1
127.03836	2.0
129.10225	2.1
136.07602	1.6
177.05566	1.8
197.84720	1.3
289.39886	1.6
337.08740	2.2
339.06412	1.9
339.10062	2.2
341.08252	2.5
349.09015	2.0
351.10199	2.6
353.08078	3.0
355.09799	3.0
363.06561	5.6
365.08084	2.7
367.09592	11.8
369.11307	7.1
371.09030	2.0
375.06516	2.2
377.08713	5.9
385.10651	5.7
387.12613	2.3
393.07443	10.8
395.04077	1.5
395.08752	9.6
409.10840	2.3
411.08591	11.7
413.10233	8.1
425.10202	7.6
427.11697	5.0
443.11020	3.3
445.13034	2.4
474.17319	3.4
500.15033	6.4
518.16132	8.0
532.17456	10.6
541.17523	1.7
550.18402	11.3
555.66510	1.9
597.20490	2.0
613.24219	3.2
629.22900	21.5
657.23108	37.1
658.23309	1.8
689.25403	100.0
690.26233	12.3
699.43164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	2.8
57.03368	1.7
67.05430	3.1
69.03355	6.7
70.06504	15.8
71.04917	8.1
72.08057	1.9
81.03345	2.9
81.06984	3.7
84.04446	7.7
84.08076	10.3
84.95908	2.0
85.02823	19.8
86.09634	9.9
92.10234	3.0
93.07000	2.5
95.08543	3.9
97.02828	8.0
97.94997	1.9
98.13636	1.6
98.97544	2.8
99.04388	2.4
105.06980	6.2
105.55330	1.5
107.08539	2.4
107.52235	1.4
109.02843	6.6
110.07169	2.7
112.87013	1.6
119.08556	3.3
120.08096	1.9
120.41187	1.8
121.10086	2.9
126.42285	1.9
127.03917	8.3
129.10194	3.4
134.99680	1.9
136.07538	2.7
141.01823	2.0
146.99683	2.0
147.11653	1.9
159.11617	1.7
161.01193	3.4
161.13353	1.8
162.99066	2.1
177.00742	3.6
189.00851	2.5
219.01776	2.2
235.11011	1.7
237.03009	3.5
255.06496	7.7
256.06903	3.5
261.03012	1.7
268.36575	1.6
269.60233	1.9
279.03809	6.4
341.07953	2.9
353.08151	2.9
363.06674	1.8
365.07867	2.2
367.09726	7.5
369.11285	6.5
385.10532	3.3
393.07489	4.1
395.08984	8.2
407.09280	2.5
411.08627	3.3
413.09958	3.0
425.10263	7.3
427.11383	3.1
500.14478	2.3
518.15271	2.2
532.17987	3.2
550.18701	6.9
629.22797	11.7
632.46417	1.8
647.24231	3.1
657.22876	22.7
689.25537	100.0
689.49115	34.0
690.25525	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	689.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37061	0.4
56.04959	0.5
65.84869	0.4
70.06519	4.6
72.08002	0.6
73.72823	0.5
84.04390	1.9
84.08010	2.8
84.08472	0.4
84.30151	0.4
85.02788	1.7
86.09615	0.7
97.02782	2.2
102.05458	0.5
103.03920	0.6
109.02757	0.5
110.07108	0.9
126.04649	0.4
127.03861	0.9
129.10146	1.0
130.06467	0.5
136.07559	0.9
148.03664	7.7
151.03908	0.6
160.03670	0.6
161.04367	0.8
162.05211	2.5
163.05995	0.7
173.39621	0.5
179.05505	31.6
180.06139	0.8
220.05692	2.3
221.06606	4.2
249.56281	0.6
279.11111	0.5
289.09247	0.7
290.13919	2.0
291.14648	0.7
293.12738	0.9
297.12341	0.9
302.55350	0.4
304.11801	0.6
307.10159	0.7
309.44058	0.5
315.10977	2.4
316.11877	3.9
317.12543	7.6
318.13177	3.6
319.10541	8.9
319.14182	0.8
320.11227	2.2
327.13004	3.1
333.11975	5.3
334.12814	4.7
335.13577	6.7
336.14368	2.0
345.14099	1.0
359.10059	2.0
360.10599	4.4
361.11520	87.8
362.12048	9.0
363.13150	0.6
365.19431	0.8
378.12088	0.5
392.13498	0.7
393.14035	7.9
412.19803	1.1
456.18716	3.6
457.16077	1.8
458.16809	0.8
460.18433	1.9
473.19177	0.7
474.20074	5.6
500.17392	1.1
501.18143	0.6
502.19455	3.0
517.18256	8.0
518.18445	0.7
532.20789	0.9
613.26508	2.5
641.45917	0.7
657.25214	45.5
658.25226	4.7
689.27795	100.0
690.27966	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	689.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07066	0.5
50.25368	0.5
51.29834	0.5
52.86419	0.6
55.05446	0.8
55.28423	0.5
57.03368	0.8
57.07016	0.9
58.80385	0.5
60.71417	0.5
63.21397	0.5
67.05432	1.0
67.87526	0.5
69.06994	0.9
81.06976	1.4
86.06926	0.5
89.05934	1.2
95.08557	0.9
114.41549	0.7
120.23928	0.6
141.80627	0.6
184.07414	1.0
202.56970	0.6
253.14554	0.6
353.23047	3.4
430.92044	0.6
489.97418	0.8
558.35852	0.7
648.04333	0.6
689.49536	100.0
690.49786	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	690.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05433	1.2
57.07003	1.6
60.08093	7.7
60.40536	0.7
62.75899	0.7
67.05428	2.9
69.06992	1.2
71.07286	4.5
79.05403	1.1
81.06965	3.8
86.09624	55.1
88.03893	1.7
93.06979	1.1
95.08538	1.2
97.10112	0.9
98.98389	5.3
104.10684	6.2
114.36416	0.7
124.99950	31.6
144.77820	0.7
184.07295	100.0
185.07732	1.2
254.53511	1.0
275.33655	0.7
561.89819	0.8
690.43469	7.3
718.15045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	0.6
56.04952	0.4
57.07003	1.0
60.08102	9.4
64.02788	0.4
67.05424	1.7
71.07273	4.5
71.08537	0.5
75.97210	0.4
78.83701	0.5
79.05402	0.8
81.06986	1.1
86.09628	47.3
93.07012	0.5
95.08514	1.0
98.98412	4.3
104.10694	3.6
107.08514	0.5
109.10146	0.5
124.99966	33.1
176.93495	0.5
184.07304	100.0
185.07578	1.0
185.56943	0.4
211.69897	0.4
269.07864	0.6
380.51544	0.5
640.10193	0.6
690.43207	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	690.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08094	10.6
67.05411	0.8
67.17120	0.4
71.07289	4.7
79.05402	0.5
81.06964	0.6
86.09624	50.0
87.09993	0.4
98.98401	3.7
100.06185	0.4
104.10674	5.0
124.99960	32.0
136.00902	0.4
143.01022	0.6
184.07298	100.0
185.07623	2.4
502.81036	0.4
656.90503	0.5
672.42175	12.1
673.41895	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81231	0.2
56.04967	1.0
57.74806	0.2
70.06499	0.3
79.05415	0.4
84.04427	27.9
85.02827	0.2
85.04740	0.3
91.05404	0.3
93.06972	0.5
93.27331	0.2
100.35608	0.2
102.05479	0.3
103.05408	5.2
104.05779	0.2
107.04895	2.1
120.08058	100.0
121.08385	2.9
130.04962	4.2
130.06462	0.2
131.04886	5.0
136.07542	1.2
149.05933	1.9
166.08600	27.1
167.08925	0.9
186.09106	7.2
212.87758	0.2
232.09625	5.0
233.10052	0.2
278.10135	3.9
295.12827	25.3
296.13239	1.4
448.70053	0.2
448.76309	0.2
487.23584	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	692.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99796	0.2
55.05445	0.4
56.04966	0.5
57.07023	0.4
57.08508	0.2
58.06540	0.3
60.08094	9.5
67.05418	0.4
69.06988	0.5
71.07293	4.0
86.09628	47.8
87.09953	0.5
95.08492	0.4
98.98403	3.5
104.10669	2.6
114.37849	0.3
115.90385	0.2
124.99964	33.8
141.96733	0.2
143.01025	0.5
181.65990	0.2
184.07309	100.0
185.07672	1.9
188.89877	0.3
198.62688	0.3
388.42334	0.3
487.10709	0.3
692.44922	9.0
693.45471	2.1
718.13898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	0.4
56.04960	0.5
57.07018	0.3
60.08092	8.6
61.16008	0.2
62.34152	0.2
66.08009	0.3
67.05431	1.1
69.06973	0.4
71.07286	3.9
78.12888	0.2
79.05420	0.3
79.24857	0.2
81.06979	0.8
83.08553	0.4
86.09626	47.6
86.84177	0.2
87.09969	0.3
93.06919	0.3
95.08526	0.4
97.10099	0.2
98.98394	3.4
104.10682	2.8
124.99959	31.2
143.01035	0.9
184.07300	100.0
185.07648	1.9
200.56700	0.2
414.40952	0.2
478.68109	0.2
551.39594	0.3
692.33362	0.4
692.44794	9.0
693.44427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	0.7
57.03342	0.4
57.06997	1.7
58.06532	0.5
60.08093	8.8
61.94687	0.4
62.31530	0.4
63.64154	0.4
64.45169	0.4
67.05418	0.8
71.07291	4.3
71.47423	0.4
73.48132	0.4
81.06958	1.1
86.09626	53.2
87.09956	0.7
92.10188	0.9
92.64480	0.4
95.08527	1.1
98.98399	3.2
104.10678	4.0
109.10078	0.6
124.99959	39.5
133.54828	0.4
135.11469	0.4
172.24992	0.5
184.07307	100.0
185.07635	1.7
313.27063	0.8
349.79218	0.4
585.52942	0.5
692.44891	9.6
693.45007	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04971	5.9
56.83123	0.9
61.01062	1.5
66.07475	0.8
67.05415	1.0
70.06513	27.6
72.08073	1.2
74.05992	1.8
76.83279	0.8
84.04426	8.6
84.08068	19.9
86.09627	1.9
91.05388	2.1
102.05486	4.0
104.05269	2.1
110.07106	7.4
111.57127	0.9
113.07094	1.3
115.08657	1.0
116.07036	2.1
127.03893	1.2
129.10204	14.2
136.07564	5.5
145.02782	1.2
175.11899	2.3
189.05188	46.4
190.05963	5.6
200.41315	0.9
240.13336	1.3
271.06021	5.0
272.06409	1.1
273.42245	1.0
299.09027	1.2
311.82434	1.0
429.15158	4.7
430.16125	1.4
444.17496	4.8
445.18204	36.7
607.23645	1.8
649.24341	12.0
693.23474	100.0
694.23267	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	694.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43383	0.1
53.74717	0.1
54.32895	0.1
55.01798	0.2
56.96508	0.1
57.03347	0.1
61.00802	0.2
61.01082	3.7
69.03323	0.2
70.06509	1.5
75.02617	1.7
77.93278	0.1
84.04432	0.6
84.08041	0.5
85.02840	0.2
90.27260	0.1
91.05452	0.2
93.01460	0.1
93.06957	0.1
97.02825	1.1
103.02077	0.2
105.64387	0.1
106.06510	0.3
107.04874	0.1
110.07102	0.5
113.28491	0.1
116.04914	0.2
116.07066	0.1
119.03472	0.3
120.07227	0.1
120.08051	0.5
127.03890	0.5
136.06161	100.0
137.04602	0.2
137.06609	1.1
144.04425	0.2
145.03159	0.9
163.04170	0.8
172.03917	0.8
173.38416	0.1
177.00690	0.1
181.04932	0.3
182.05003	0.2
190.04875	0.1
243.07443	0.2
261.08585	1.1
298.09631	16.2
299.09772	0.3
609.71667	0.1
712.08575	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	694.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	1.0
53.03878	2.7
55.01809	1.3
55.05447	18.7
57.03367	10.4
57.07001	4.4
60.40638	0.5
61.02854	38.4
65.03869	2.4
67.05424	88.1
69.03351	7.2
69.06987	15.5
71.04900	3.6
71.06802	0.6
71.07224	0.6
71.08537	1.1
73.02824	13.6
75.04382	1.0
79.05404	53.8
81.03325	2.6
81.06971	100.0
83.04898	1.0
83.08527	8.7
85.02821	36.9
85.06447	2.9
86.09615	3.1
91.03335	1.3
91.03876	27.6
91.05396	27.9
93.06969	70.3
94.07290	1.2
95.04893	3.2
95.08529	76.0
96.08842	1.0
97.02821	17.8
97.06458	4.3
97.10106	1.7
99.04370	2.6
99.08040	1.5
101.02310	0.7
105.04469	0.9
105.06965	23.6
107.08530	48.7
109.02782	0.8
109.06455	2.7
109.10097	36.4
111.08042	1.7
115.03876	2.6
117.06948	10.3
119.08528	21.6
121.10091	39.3
123.08006	1.3
123.11640	14.4
124.99969	0.8
125.09586	2.8
127.03869	9.4
129.07013	0.8
131.07605	0.5
131.08519	23.3
133.10091	17.7
135.11652	34.6
137.13194	5.8
139.11148	1.0
145.04922	9.6
145.10089	17.1
147.11644	12.6
149.09680	0.8
149.13228	21.4
151.14780	1.1
159.11653	13.3
161.13202	11.7
162.95186	0.8
163.05988	13.4
163.14781	13.8
172.95256	0.7
173.13210	13.8
175.14803	4.5
177.16377	4.5
179.14253	1.1
184.07283	5.0
187.14752	8.6
195.49995	0.8
201.16327	4.2
205.15782	1.1
215.17941	1.3
216.54776	0.7
233.22578	1.3
238.12315	0.6
243.21004	28.6
244.21579	0.9
261.22064	78.7
262.22528	3.4
263.23575	0.9
279.23114	4.6
335.25702	25.7
336.25867	1.3
353.26794	47.9
354.27292	2.7
497.30905	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	694.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	0.4
56.04976	0.3
58.06533	0.3
59.06049	2.5
60.08093	9.2
62.90310	0.2
67.05409	0.4
71.07286	4.3
76.77923	0.2
80.69095	0.2
81.06950	0.3
86.09623	42.4
87.09962	0.5
97.10095	0.3
98.98388	3.5
104.10675	3.4
116.53690	0.2
124.99957	33.1
137.79539	0.2
143.01028	0.9
184.07295	100.0
185.07617	1.3
199.65439	0.2
246.61044	0.2
251.00243	0.2
456.94949	0.2
459.34793	0.2
568.58539	0.2
694.46344	9.9
695.46454	2.2
707.06946	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	694.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	26.3
57.03362	27.2
60.08104	6.9
65.23531	3.9
67.05433	48.1
69.06977	16.7
79.05406	50.7
81.06970	52.1
83.08540	5.4
86.09631	51.5
91.05381	49.8
93.06985	45.8
95.04884	8.6
95.08533	25.1
105.06968	47.8
107.08507	19.2
109.06466	5.6
109.10125	5.6
117.06953	29.5
119.08539	34.0
121.10091	9.8
124.99951	34.1
129.07002	7.8
131.08546	34.3
133.10088	19.0
135.08084	4.8
141.06984	4.0
143.08545	17.3
145.10098	28.3
147.11649	6.3
155.08514	5.3
157.10022	7.8
159.11577	13.1
169.10109	9.5
175.21184	3.8
184.07310	100.0
185.13176	14.5
275.20068	8.6
349.23538	6.9
392.38153	4.4
432.24698	4.1
502.51337	5.3
601.80914	4.2
694.44104	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	694.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81214	1.7
57.06735	2.1
57.07018	50.5
59.04943	3.4
61.10596	1.7
64.72883	1.5
67.61925	1.4
70.01669	1.6
70.14551	1.7
71.43150	1.6
81.35797	1.5
91.05412	3.8
129.51201	1.5
147.11707	6.4
239.98734	1.6
251.04555	15.2
290.51669	1.6
327.07785	100.0
328.08029	6.2
383.14035	40.2
439.20221	81.2
440.20447	3.5
445.46088	2.2
495.19891	3.3
495.26526	66.7
496.26871	7.3
551.32648	17.3
607.38928	47.6
608.38928	9.4
663.45337	59.9
664.45306	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	695.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03866	0.2
55.01790	0.2
55.05397	0.1
57.03332	0.6
61.02860	1.0
62.68216	0.1
67.05405	0.3
69.03349	3.0
69.06976	0.1
70.06505	1.4
71.01229	0.1
71.04875	0.2
72.08031	0.2
73.02789	0.5
79.05354	0.2
81.03294	0.6
84.04379	0.8
84.08030	0.7
85.02826	4.9
85.06478	0.4
87.04359	0.2
91.05383	0.1
94.48434	0.1
97.02820	1.7
97.41103	0.1
99.04350	0.5
102.05413	0.2
103.03875	0.2
109.02789	0.6
110.07072	0.3
115.08666	0.1
116.06978	0.1
116.84415	0.1
118.04097	0.2
119.04919	0.2
127.03823	0.8
129.10214	0.2
139.03853	0.2
141.06931	0.2
145.02853	1.0
145.03810	0.1
147.04329	0.2
149.09589	0.1
152.00995	0.3
167.03423	0.9
169.06415	1.2
191.10532	0.2
192.02213	0.1
196.05252	0.2
197.05946	2.3
209.11636	0.2
211.07343	0.2
214.06200	0.7
225.05431	3.0
226.06093	0.2
227.12624	0.5
229.08548	3.9
242.05695	4.0
253.04723	0.2
254.05681	0.3
257.08066	1.6
267.06500	0.9
270.05161	18.0
271.05472	0.6
284.06778	0.2
285.07510	100.0
286.07852	3.8
288.14230	0.2
294.05130	0.2
309.07471	0.8
327.08545	3.4
328.08783	0.2
339.08475	0.2
342.96289	0.1
351.08606	0.2
447.12772	26.1
448.13205	1.3
695.16858	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	695.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03698	0.1
51.82083	0.1
53.00233	0.1
53.03671	0.1
53.03888	0.5
55.01796	0.3
55.05462	0.1
57.03366	0.2
60.75383	0.1
61.02848	0.3
67.05421	0.1
69.03347	1.9
70.06504	0.4
71.01312	0.1
71.04908	0.6
72.08073	0.1
73.02841	0.6
73.92833	0.1
75.78636	0.1
77.03872	0.1
78.12746	0.1
80.06124	0.1
81.03336	2.7
81.03786	0.1
83.04913	0.1
84.04417	0.1
84.08064	0.2
85.02824	5.2
86.09601	0.1
87.04376	0.1
91.05375	0.1
95.04875	0.3
97.02824	28.8
98.03185	0.3
99.04382	4.0
102.63042	0.1
103.03886	4.4
103.05402	4.7
109.02830	2.9
111.04406	0.1
115.03908	0.2
115.05409	0.4
120.08053	0.1
123.04453	0.1
127.03877	100.0
128.04222	1.5
128.06181	2.3
131.04892	12.5
132.05246	0.2
139.03873	0.2
140.07973	0.1
141.06964	1.3
143.08539	5.5
144.08806	0.1
145.04930	2.3
145.06213	0.1
145.06506	0.1
152.06139	0.2
153.06966	1.9
155.08557	0.6
163.05995	0.6
169.06465	0.6
171.08009	1.2
177.05431	0.1
181.06427	1.1
187.05991	0.5
193.34583	0.1
199.05852	0.1
199.07507	1.5
205.06914	0.1
206.37329	0.1
227.06932	0.7
241.07124	0.1
245.08015	2.9
263.09106	0.7
271.08023	0.7
289.09067	0.4
307.10031	0.1
311.38693	0.1
367.10196	0.1
396.75983	0.1
405.40619	0.1
433.13300	2.7
434.14044	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	695.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69027	0.2
53.03880	0.5
56.04958	0.3
56.58073	0.2
57.07017	0.2
60.02432	0.2
67.72373	0.2
69.03339	1.2
70.06510	36.7
81.03329	1.4
84.04421	3.3
84.08099	1.9
85.02826	3.5
86.09643	0.5
91.05392	0.4
93.06975	1.5
93.94517	0.3
97.02846	2.7
98.05973	0.2
99.04391	2.4
101.07088	0.4
103.03874	3.3
103.05399	3.2
109.02845	1.3
110.07111	1.7
112.08701	0.3
113.07014	0.3
114.05482	0.4
116.07043	81.4
117.07388	1.1
120.08057	100.0
121.08400	2.9
127.03876	65.1
128.04250	1.0
129.10155	0.5
130.15910	3.3
145.04947	1.3
159.09018	0.4
159.67604	0.3
221.51962	0.3
263.13843	35.2
264.14178	1.7
270.05081	0.6
285.07516	3.8
289.09097	0.4
292.19702	0.3
379.27435	0.3
433.13156	2.7
447.12302	0.4
558.69897	0.3
573.07745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40358	1.0
52.55270	0.8
53.03882	0.8
55.05449	22.1
57.03373	8.6
57.07010	12.7
61.02856	34.3
67.05428	84.1
69.03339	4.6
69.06988	29.7
71.01257	1.0
71.04906	1.4
71.08550	6.1
73.02831	10.4
73.37758	0.8
73.80064	0.9
75.04412	0.9
79.05404	24.1
81.03333	4.0
81.06975	100.0
83.08536	21.6
84.04465	1.0
85.02827	33.0
85.06461	2.0
85.10072	1.5
86.09578	1.3
87.04385	0.9
91.03876	23.0
91.05401	18.1
91.30579	0.9
93.06430	1.7
93.06973	28.4
95.04856	1.4
95.08533	86.6
95.41875	0.9
96.08886	1.4
97.02822	15.6
97.06438	7.8
97.10098	13.8
99.04401	1.3
99.08006	3.5
105.06986	14.4
107.08538	20.0
109.10108	43.0
111.08007	4.2
111.11665	2.1
113.09579	1.1
117.07001	1.0
119.08530	13.6
121.10094	19.4
123.11668	20.0
125.09605	1.3
127.03068	1.0
127.03862	9.4
133.10094	18.4
135.11664	9.9
137.09583	1.1
137.13187	9.2
139.11247	1.2
141.12743	1.7
145.04910	9.2
147.11659	12.8
149.13231	10.4
151.14792	6.2
155.14268	1.1
161.13232	10.7
163.05951	11.0
163.14810	8.3
165.08818	1.0
165.16336	4.7
175.14787	10.1
177.16315	1.6
179.17938	4.7
184.07362	1.7
189.16405	4.3
203.17987	1.3
203.66512	0.9
222.54510	0.9
237.10210	1.0
245.22594	38.7
246.23059	1.8
263.23648	60.8
264.24094	3.6
306.46280	1.0
337.27319	47.0
338.27551	1.1
355.28271	13.6
368.42941	1.0
427.34290	1.0
499.32495	5.2
509.10263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25397	1.0
53.00257	1.2
55.05450	13.5
56.04967	5.5
57.07001	4.9
58.40319	1.0
59.04920	1.2
61.95347	1.1
65.03847	2.3
67.05428	80.4
67.05786	2.9
68.05764	1.3
69.06996	8.9
70.06494	2.2
71.04904	1.6
71.07295	20.5
71.08544	1.3
79.05417	11.9
81.06972	37.7
83.08528	7.6
85.06480	1.3
86.09625	91.8
91.05418	10.2
93.06959	11.1
93.71549	1.2
95.08527	21.5
105.06980	5.5
107.08534	5.4
109.10105	36.5
109.10749	1.3
112.07001	1.2
119.08549	6.1
121.10094	2.2
124.99963	3.0
125.09608	1.3
133.10109	2.5
135.11617	2.0
146.98158	58.6
162.73816	1.6
164.99181	1.6
173.11690	2.6
176.48070	1.3
184.07326	6.1
229.00807	1.2
327.54446	1.5
357.10699	2.5
491.37057	2.2
513.35382	100.0
514.35620	10.0
637.34637	99.9
638.34778	11.2
696.41827	60.7
697.42566	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	696.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14465	0.8
55.01814	1.0
55.05444	9.2
56.04959	3.9
57.07012	1.7
59.04916	1.2
65.03857	1.2
67.05427	59.5
68.05755	0.9
68.85567	0.6
69.06979	4.9
71.04909	1.3
71.07282	17.9
75.87901	0.7
79.05405	9.2
81.06974	26.0
83.08530	4.3
86.09626	78.8
87.09958	1.0
91.05406	7.0
93.06979	8.5
95.08530	13.3
105.06986	3.1
107.08527	3.2
109.10098	22.7
111.08067	0.8
114.19418	1.0
115.70042	0.8
117.06982	0.8
119.08501	2.8
121.10108	1.4
123.11683	1.1
124.99995	3.4
131.08583	0.8
132.33472	0.8
133.10089	1.4
146.98154	49.6
147.11636	0.8
164.99252	1.3
173.11740	1.0
184.07251	1.9
214.10056	0.7
271.05997	1.1
272.06241	1.2
357.10837	1.5
453.95755	0.9
513.35419	58.7
514.35834	4.8
637.34644	100.0
638.34796	9.8
695.47949	1.3
696.41907	56.3
697.42548	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	697.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	1.9
54.17190	0.2
55.01808	1.6
55.05448	1.4
57.03368	1.5
59.05057	0.2
61.02858	1.3
62.16190	0.2
63.91637	0.3
68.99723	2.1
69.03352	5.5
70.06516	10.0
71.04903	0.5
71.06818	0.4
72.08063	0.6
72.26967	0.3
73.02827	1.3
74.46354	0.3
79.05388	0.3
81.03338	7.3
83.08544	0.6
84.04435	3.9
84.08076	2.5
85.02835	11.0
86.09644	0.5
87.00755	5.6
92.10288	0.3
97.02828	4.3
99.04386	2.3
100.07541	0.5
100.11192	6.0
100.79046	0.3
101.07101	0.4
102.05492	0.7
105.01814	2.8
107.04926	0.5
109.02843	5.4
110.07129	0.7
111.00739	0.6
111.04382	0.6
112.08682	0.4
115.08660	0.4
117.01799	0.6
118.19011	0.3
120.08078	0.3
121.02831	2.7
127.03896	6.6
128.07063	0.6
129.01804	0.4
129.10161	1.1
133.02786	0.3
136.07596	0.4
137.02348	0.7
145.05002	2.0
147.04370	0.4
153.01788	4.1
159.02869	2.8
161.05957	0.4
165.01817	2.0
177.05484	0.4
179.08815	0.3
182.15413	2.0
183.02861	1.1
185.05942	0.4
195.11247	0.3
207.06488	0.5
208.04846	0.3
209.16469	1.5
210.14882	1.9
213.05490	1.3
231.04739	0.5
231.06703	0.3
241.04770	1.2
258.05136	0.5
260.37573	0.3
271.05884	1.3
285.07645	0.3
287.05463	100.0
288.05728	3.6
303.04907	0.5
329.06927	0.3
504.37909	0.3
535.10382	0.4
696.53796	3.2
696.69739	0.4
697.03156	1.1
697.35864	0.4
697.53839	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	697.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.0
55.05434	1.4
56.04976	1.3
69.03350	1.7
69.06989	2.0
70.06516	12.8
71.04929	1.0
72.08068	1.6
79.05396	1.8
83.04882	1.3
84.04421	5.0
84.08047	6.7
85.02842	1.9
86.09632	1.7
88.81113	1.1
91.05418	2.7
93.06966	1.7
97.06467	4.2
99.04374	1.2
100.11163	1.7
105.06982	10.1
106.07338	2.8
107.79613	1.5
110.07112	2.4
112.07574	1.0
120.08092	2.2
121.06467	8.2
122.06004	1.5
122.06853	1.5
129.10136	1.2
131.08521	2.6
133.06442	7.8
136.07556	5.3
140.07008	2.7
143.08482	1.7
145.06502	1.6
145.10086	12.4
146.10446	4.7
155.08452	1.8
158.07217	6.0
159.07994	2.3
159.11658	2.5
160.11996	1.3
169.10086	2.2
170.10394	1.5
172.03922	1.5
173.09599	26.7
174.09930	9.6
187.11139	7.4
188.11479	6.7
191.95520	1.4
197.09497	1.7
205.12238	1.9
215.10687	8.7
216.10941	5.9
221.10657	1.3
222.11472	2.6
233.11679	7.0
234.11859	5.8
236.09021	1.8
237.10199	2.3
247.08524	2.0
248.09372	7.8
249.10194	19.9
250.10919	6.5
251.11630	4.8
261.10126	2.9
262.10892	7.4
263.11737	100.0
264.12347	12.2
265.09634	2.4
265.13223	4.7
267.11258	1.7
275.08270	1.5
277.09683	19.9
278.10275	2.8
279.11230	29.3
280.11819	2.8
281.12729	13.2
282.13565	11.9
289.09650	4.5
290.10544	8.1
291.11215	37.4
292.11987	13.3
293.09116	2.1
293.12802	4.4
294.09698	1.7
295.10818	20.1
295.14081	2.7
296.11307	2.0
303.07562	2.8
307.10767	13.4
308.11612	2.8
309.12299	62.5
310.12860	5.3
317.08829	1.6
318.09949	6.3
323.13876	63.7
324.14227	4.6
325.11749	1.7
327.13293	11.0
335.10138	8.0
336.10983	47.5
337.11780	15.4
338.12610	2.1
339.13336	18.2
341.14896	11.5
345.14297	1.9
349.11707	1.9
353.11276	1.8
355.13248	5.7
356.14212	4.7
367.12839	49.8
368.13593	64.7
369.14383	32.2
370.15030	2.5
399.15469	13.0
433.57858	1.2
455.32800	1.3
478.19443	1.9
489.18451	4.6
490.19781	1.8
508.20657	53.8
509.21231	2.6
510.22604	9.0
526.21674	7.1
540.23401	90.9
541.23657	5.1
581.39948	1.5
665.27844	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	697.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42794	0.4
67.05426	0.4
69.07004	3.9
70.06509	3.9
70.54140	0.4
84.04423	0.9
84.08078	0.8
91.05404	0.9
94.06522	5.6
95.04897	0.7
100.11126	0.4
102.05408	0.5
106.06507	0.6
108.08060	2.0
110.05981	0.9
110.07093	0.6
112.07551	0.9
114.91588	0.5
116.04939	0.5
117.03322	0.8
118.06429	0.5
119.04853	0.6
122.05971	17.7
124.07561	0.8
134.05956	0.9
136.07544	1.1
140.07040	24.1
144.04419	1.0
145.02832	2.9
146.06001	10.0
148.07530	1.9
149.05920	0.6
151.31310	0.4
152.07043	3.2
156.10242	0.6
160.07544	0.5
162.05458	2.6
164.07042	0.8
166.08586	0.8
172.03902	16.8
174.05469	13.9
176.07025	8.0
176.10602	0.5
177.05444	2.8
181.04918	0.9
182.48914	0.5
185.10582	0.5
188.07076	0.9
190.04935	2.4
191.05754	1.1
192.06551	2.0
194.08141	1.8
196.09724	0.6
197.10709	0.4
200.09384	0.6
201.10274	0.6
201.93066	0.5
204.06532	21.1
206.08110	5.3
207.06369	0.6
209.10561	0.5
210.11604	0.4
211.08536	0.7
211.12326	0.6
212.09346	0.5
213.10228	2.3
215.11769	3.0
223.08551	0.6
223.12337	0.6
224.09442	1.8
225.10196	4.4
226.10904	0.7
229.09636	0.6
235.08591	2.4
236.09404	2.5
236.78387	0.5
237.10164	8.4
238.10965	2.6
239.11757	2.4
240.12447	1.1
241.09679	1.9
241.13246	0.9
243.11203	9.8
249.10156	8.5
250.10936	4.2
251.08055	1.0
251.11722	17.6
252.08916	0.7
252.12459	2.6
253.09625	6.6
253.13400	1.0
255.11076	1.3
261.10104	0.8
262.29449	0.5
263.08075	0.7
263.11642	3.3
265.09674	18.6
265.12634	0.6
266.10306	2.4
267.11176	5.9
268.11966	0.7
269.09164	1.8
270.09943	0.9
271.10745	0.6
277.09650	3.7
277.12607	0.5
278.06619	0.7
278.10452	7.5
279.07672	5.5
279.11240	25.0
280.11993	6.6
281.09320	0.8
281.12787	2.6
282.09961	0.7
283.10760	5.7
284.11325	1.1
285.12302	10.8
286.13031	0.6
287.10214	2.7
287.13647	0.9
289.09467	0.7
290.09995	0.5
291.11035	1.6
293.09204	5.2
293.12799	8.1
294.09830	2.4
294.13333	1.6
295.10660	4.8
295.14307	3.5
296.11514	2.0
297.12286	6.5
298.13434	0.5
299.13931	0.6
301.12012	0.8
302.12912	0.7
303.13327	17.9
304.14206	1.0
305.15039	0.5
307.10651	3.6
308.11478	2.1
309.12338	8.8
310.12915	0.8
311.10223	4.5
311.13876	2.9
312.10977	7.8
313.11752	11.5
314.12488	0.8
314.16534	0.7
316.10956	0.8
316.14487	0.8
318.15933	3.0
319.16656	1.1
323.10110	1.0
323.13660	2.0
323.44080	0.7
324.11020	5.1
325.11740	18.3
326.12384	2.3
327.13330	47.6
328.13956	2.4
330.12326	1.1
331.12921	5.8
332.13657	0.6
332.17484	0.8
335.10153	4.6
336.10962	1.8
337.11816	7.0
338.12360	0.9
339.13339	100.0
340.13913	6.1
341.15012	0.6
344.13773	1.9
345.14496	10.5
346.15524	4.6
347.16260	3.2
352.10382	1.0
353.11230	9.7
354.11588	0.6
355.13196	0.5
356.13824	1.0
357.14819	0.7
358.15530	1.1
360.17203	3.4
363.15579	0.7
367.12817	64.9
368.13531	13.3
369.14343	2.4
371.12708	1.1
372.13123	3.7
373.14182	2.0
374.14774	3.9
384.13046	0.9
385.13870	7.7
386.14828	6.7
387.15829	5.8
388.16351	4.8
399.15488	17.7
400.16293	1.9
402.13898	0.9
402.18369	0.7
404.16064	2.8
405.16663	1.0
406.17462	4.8
414.14246	4.3
415.15231	10.9
416.15970	14.0
417.16370	0.7
428.16043	1.0
429.16626	0.7
430.17474	2.5
431.18466	0.6
432.15451	1.8
433.16360	3.5
434.16980	4.4
446.16791	3.6
447.17520	2.2
456.15436	3.0
457.15601	1.7
460.14401	0.6
474.16562	12.4
475.17267	5.1
476.18097	3.9
480.20990	1.0
482.22842	0.9
506.19440	1.0
507.19736	0.8
508.20721	38.5
509.20779	2.9
524.19763	0.5
526.21570	4.8
540.23346	67.8
541.23798	5.3
571.26001	0.7
573.23291	0.7
597.23639	0.7
615.24384	51.3
616.24646	4.4
633.25592	0.7
647.26813	7.0
673.70453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	4.3
56.04974	5.6
58.06538	1.0
63.90844	0.8
67.05442	1.0
69.03354	1.6
69.06991	1.5
70.06509	25.8
71.54167	0.9
72.08076	2.2
74.05997	6.0
76.55936	0.9
81.06969	1.3
83.08550	1.8
84.04433	9.4
84.08073	10.7
85.02830	5.1
86.09629	9.1
91.05399	5.2
93.07008	1.5
94.06522	1.5
97.02823	2.4
98.05997	6.5
98.09570	1.0
100.07563	1.3
100.11187	10.9
101.07056	1.7
102.05476	2.1
105.06968	1.1
108.87381	0.9
110.07120	2.1
111.04364	1.5
112.08710	1.4
115.08581	1.1
119.08533	1.4
120.08069	5.3
122.05951	1.0
124.07478	1.2
126.05444	2.3
129.10214	5.9
136.07596	8.2
140.07040	4.8
146.05986	1.9
161.09473	1.1
165.05414	1.0
169.09718	1.2
172.03870	2.0
174.05521	1.3
182.15370	5.9
194.08171	1.1
204.06541	1.9
209.16403	1.9
210.14856	6.7
225.08000	1.4
225.10170	2.1
235.08554	1.5
237.10176	5.8
238.10815	1.4
249.10133	4.8
250.10910	1.8
251.11752	13.8
252.12401	1.5
253.09718	6.5
265.09622	16.0
267.11221	3.9
277.09610	1.7
278.10458	6.4
279.08145	2.4
279.11191	17.2
280.11945	4.4
283.10849	1.4
293.09116	4.7
293.12750	9.4
294.09909	4.1
294.13495	1.4
295.10794	5.0
295.14230	1.8
297.12311	5.4
307.10623	4.8
309.12241	6.7
311.10226	3.5
312.10977	9.5
324.10898	4.8
325.11737	16.7
326.12213	1.2
327.13336	46.0
328.13696	3.8
335.10123	4.6
337.11826	5.3
339.13318	100.0
340.13644	6.1
341.14502	1.1
345.14651	1.2
348.96255	1.2
353.11328	7.7
367.12814	70.1
368.13379	15.2
369.14383	1.2
385.13724	4.3
399.15387	14.2
423.85364	1.3
508.20691	36.9
509.20987	3.9
526.21661	6.5
540.23352	68.7
541.23352	5.1
612.91400	1.1
615.24213	2.0
679.50397	5.9
680.51025	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13616	0.4
50.57266	0.4
50.79820	0.4
54.71938	0.4
54.81608	0.5
55.05450	0.8
57.03359	0.6
57.07022	1.2
57.32759	0.5
67.05415	5.2
69.06995	2.2
71.08571	0.8
79.05426	1.1
81.06979	5.4
86.09620	0.7
91.05402	1.2
93.06969	3.8
95.08532	4.7
95.95525	0.5
97.10130	0.7
105.06968	2.1
107.08533	1.2
109.10133	0.9
115.51298	0.5
121.10101	0.5
124.89571	0.5
165.69130	0.6
169.91930	0.6
251.83795	0.5
312.02850	0.6
385.21863	7.2
441.24750	2.9
467.38477	0.6
469.45795	0.6
516.51373	0.6
587.63275	0.8
599.49945	1.2
634.48755	0.7
675.38635	0.6
697.37543	7.6
697.48438	100.0
698.38531	0.6
698.49036	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	697.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68176	0.2
52.51908	0.2
55.05451	20.0
57.07000	1.1
67.05411	1.1
67.89744	0.2
69.03353	0.2
69.06972	1.2
69.72929	0.2
70.06175	0.3
70.06508	3.8
70.70242	0.2
72.08064	0.4
75.25493	0.2
78.25498	0.2
81.06966	1.0
82.06508	3.0
83.04901	2.5
83.08539	16.5
84.04423	0.9
84.08080	3.2
84.08851	0.3
85.06451	1.1
86.09593	0.2
91.05405	0.3
93.06953	0.3
96.08051	0.3
97.02811	0.2
97.06445	0.4
98.09624	3.2
100.07545	8.2
100.11186	100.0
101.05944	0.5
101.11509	1.7
110.05997	1.7
110.07088	0.3
111.04390	12.0
112.07546	3.2
112.11184	0.4
117.03403	0.2
117.13837	1.7
118.08625	0.3
126.09122	2.9
126.36258	0.2
127.08627	2.0
128.07043	9.4
129.05447	0.9
135.50162	0.2
139.08643	3.0
140.07027	3.5
145.02806	0.2
147.11674	1.0
149.13257	0.4
152.07039	0.3
164.14314	1.3
166.15875	1.1
168.13846	0.4
177.05406	0.5
182.15375	40.4
182.43741	0.2
183.15710	1.4
192.13806	2.0
193.12193	0.3
209.16460	25.5
210.14857	51.0
211.15202	1.7
226.19057	4.3
227.17488	4.5
227.19487	0.4
228.15901	4.6
228.17912	0.4
245.18562	1.8
259.77936	0.2
285.07666	1.1
308.26962	0.4
309.25427	1.0
325.29721	0.3
326.27939	3.9
335.24634	0.3
336.22754	3.5
337.21109	2.3
343.30576	5.4
354.10550	0.2
355.21756	0.3
409.88458	0.3
435.33224	1.5
436.32214	0.3
452.36127	0.5
453.34125	4.0
471.35245	2.3
679.51068	1.6
697.52100	95.9
698.52386	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	698.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51058	1.4
53.00247	3.2
53.03899	2.1
55.01812	3.0
55.05187	2.4
55.05449	66.1
56.05783	1.7
57.03367	19.8
57.07010	37.2
58.71699	2.1
61.02564	2.9
61.02855	69.3
67.05428	72.1
67.47498	1.3
69.03348	7.6
69.06986	95.8
71.04897	4.3
71.08543	21.8
73.02825	29.8
75.04390	3.0
79.05408	30.8
81.03336	2.0
81.06970	92.7
83.04871	2.1
83.08540	82.1
85.02826	60.6
85.06438	3.5
85.10107	10.3
86.09618	4.5
91.03878	49.0
91.05402	3.0
93.06973	52.0
95.08532	89.6
97.02828	28.5
97.06464	21.0
97.10099	49.6
99.04363	2.0
99.08013	3.8
105.85538	1.7
107.08540	36.7
109.02763	1.9
109.10100	42.0
111.07999	13.2
111.11680	14.7
113.09660	1.7
115.01052	1.8
121.10091	69.2
123.11652	15.5
124.99925	2.9
125.09601	3.3
125.13192	2.3
127.03873	9.8
135.11658	54.1
139.11160	3.7
145.04901	15.2
149.13258	23.1
151.14784	8.1
153.12663	2.5
163.05951	22.8
163.14766	10.9
165.16344	3.5
171.06340	1.7
172.95114	2.1
177.16238	2.7
184.07234	7.2
191.17886	2.8
215.39848	1.7
231.64708	1.7
247.24158	42.8
265.25177	96.6
266.25549	2.6
283.26273	20.4
339.28851	100.0
340.28891	3.7
342.81689	2.0
357.25616	3.5
357.29926	82.3
358.30225	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	698.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	4.1
55.05439	19.1
56.64211	3.6
57.07004	7.0
67.05427	74.5
69.06982	14.8
71.07281	15.0
74.78176	3.5
79.05389	17.8
81.06973	38.3
83.08530	9.4
86.09628	80.1
89.05882	5.2
91.05408	18.8
92.10304	5.4
93.06957	17.5
95.04897	8.6
95.08503	21.8
105.06957	5.9
107.08543	17.9
109.10130	31.8
119.08490	5.0
138.76855	4.9
144.75177	4.5
146.98141	37.3
216.79338	3.9
221.15343	4.7
318.35587	4.1
515.36896	46.7
557.42114	33.2
639.36145	100.0
640.36554	6.9
698.43408	57.0
699.44537	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	699.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42641	0.3
55.85950	0.3
56.04976	0.8
63.38311	0.3
70.31567	0.4
70.65777	0.4
84.04432	28.1
85.04758	0.4
91.05402	0.4
93.07012	0.4
102.05482	0.5
103.05410	5.5
107.04905	1.7
108.28990	0.4
120.08064	100.0
121.08395	3.1
130.04984	4.6
131.04909	4.1
141.82939	0.4
149.05965	2.0
166.08606	28.5
167.08881	1.6
186.09113	8.6
204.10201	0.4
204.97235	0.4
205.07594	0.4
230.53416	0.4
232.09546	3.4
278.10205	3.9
279.10764	0.4
295.12845	30.1
296.13000	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40129	0.7
53.80241	0.6
58.75836	0.7
64.33412	0.8
67.05424	1.5
69.02977	0.7
80.74008	0.7
81.06985	0.9
85.57414	0.7
86.09663	1.8
93.06995	0.8
93.15542	0.7
95.08561	0.8
106.33768	0.7
109.10141	0.9
153.67406	0.8
176.02560	0.8
184.07327	1.8
185.04071	0.8
203.05359	1.0
259.07681	0.8
365.10477	3.9
537.30286	23.0
538.30139	1.2
699.35492	100.0
700.35596	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	2.0
65.58550	2.1
67.05420	5.5
69.06981	2.8
74.07928	1.7
75.94154	1.9
77.66685	1.9
79.05409	4.9
79.58829	2.0
81.06963	9.1
85.53931	1.9
86.09619	8.7
89.07520	1.9
91.05421	2.8
93.06973	5.0
95.08531	9.0
99.16305	2.3
105.06969	4.5
107.08537	2.9
110.00721	2.0
113.90718	2.0
119.08568	3.2
121.10110	3.4
123.07964	2.4
124.99980	2.5
142.11012	2.3
149.32179	2.3
176.12830	2.3
184.07277	9.9
313.21347	2.1
356.80600	2.4
389.22256	2.9
699.44275	100.0
700.43616	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	700.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	2.0
55.01811	2.7
56.04973	0.4
57.03372	2.2
57.49771	0.2
58.79189	0.2
61.02845	1.4
65.03886	0.2
67.01781	2.0
68.99711	2.0
69.03352	9.8
70.06509	5.4
71.04902	1.1
71.15683	0.2
72.08078	0.3
73.02843	2.3
75.16334	0.2
81.03339	9.1
83.01310	0.2
84.04430	2.2
84.08082	2.0
85.02830	18.8
86.05988	0.5
86.09636	0.3
87.00751	7.2
87.04382	1.2
88.83942	0.2
91.03878	0.5
91.05412	1.3
95.04926	0.2
97.02825	9.4
99.04395	3.0
99.48802	0.2
101.02319	0.3
101.75158	0.2
102.05460	0.3
103.03863	0.3
104.07039	0.4
105.01804	4.4
107.04877	1.4
109.02835	7.9
110.07123	1.5
111.00739	0.3
112.08681	0.3
113.03403	0.4
117.01820	1.4
119.04890	3.6
120.08041	0.4
121.02826	0.4
121.06441	1.2
123.04353	1.9
125.02321	0.3
127.03883	12.9
129.01797	2.0
129.10236	0.5
136.07579	0.4
140.07097	0.3
145.04922	4.3
147.04393	16.8
148.04810	0.3
151.03873	0.4
153.01807	100.0
154.02119	2.2
154.05032	0.3
159.01653	0.4
159.02859	5.0
171.02856	13.6
171.04350	0.4
177.01840	1.1
177.05437	0.4
179.03349	1.4
181.04985	0.4
183.02916	0.3
191.03355	1.1
195.02873	5.2
207.06560	0.4
209.05348	0.3
213.03935	0.5
219.02837	2.0
231.04829	2.0
249.05890	0.2
255.06563	0.4
261.03964	1.1
273.07523	46.1
274.07809	2.2
285.00916	0.3
297.07611	2.1
315.08548	3.6
316.08716	0.3
339.08746	1.8
361.13852	0.5
365.05167	0.3
381.09488	1.3
383.05890	0.4
417.11658	0.4
485.10712	0.4
503.11798	1.2
521.12952	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	700.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04974	1.0
57.06997	0.2
68.86719	0.2
69.03346	1.1
70.06512	5.0
72.08076	0.4
82.61121	0.2
84.04431	29.4
84.08069	1.9
85.02834	1.2
86.05999	0.3
86.09631	1.0
91.05413	1.1
92.10337	0.3
95.04908	1.2
96.68470	0.2
97.02815	0.2
101.07078	0.3
102.05482	1.2
107.08574	0.2
109.06452	0.4
110.07120	2.0
115.03862	0.3
115.05400	1.1
115.08652	0.2
116.07033	0.3
117.05685	0.4
117.06966	0.5
118.06494	14.1
119.06888	0.2
120.04456	0.2
120.08050	0.4
121.32609	0.2
125.09570	0.2
127.03879	0.5
129.06564	0.3
129.10207	0.5
130.04980	5.6
130.06493	2.4
131.08546	0.2
132.08063	6.2
133.10106	1.6
139.11150	0.3
142.06502	1.8
143.07300	1.7
144.04398	0.4
144.08067	13.3
145.02844	0.9
146.05991	67.1
147.06360	1.7
147.09288	0.2
153.09016	0.3
158.05945	0.4
159.09152	14.6
160.07538	1.0
160.09525	0.4
170.05980	4.8
173.13310	0.3
177.05373	0.8
181.04837	0.4
188.07034	100.0
189.07391	3.4
191.14307	0.5
205.09695	16.3
206.10027	0.4
209.15312	1.1
225.10199	10.8
226.10521	0.2
227.16388	1.5
234.12195	0.3
271.10706	1.2
283.08481	0.3
317.11304	1.6
323.10001	0.4
334.13919	32.6
335.14127	1.9
396.16769	0.3
640.78748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	8.2
57.07007	26.5
67.05425	61.3
68.55596	3.6
69.07004	4.3
71.07284	16.6
71.08558	7.4
71.79538	3.8
79.05458	4.9
80.77886	4.0
81.06970	16.6
83.08536	6.7
85.10075	4.2
86.09628	100.0
91.05376	5.1
92.64977	4.2
93.06955	7.6
95.08543	17.2
107.08516	4.5
109.10112	33.5
137.29161	4.5
146.98161	57.5
157.58444	4.4
184.07274	8.0
208.08963	4.6
231.20256	4.5
517.38275	46.5
641.37653	86.4
642.37769	8.4
700.44843	71.7
701.44983	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	700.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31432	0.6
60.08094	7.0
61.87204	0.5
67.05420	1.4
71.07290	4.7
81.06962	1.3
86.09628	53.7
91.05390	0.6
92.64178	0.6
93.06959	0.8
95.08507	1.2
98.98409	4.3
104.10663	3.7
105.74781	0.6
109.10119	0.7
124.99966	36.0
143.00952	1.8
184.07312	100.0
185.07608	2.7
296.92841	0.7
428.11011	0.6
436.29898	0.6
468.32266	0.6
652.46045	0.7
700.45233	9.7
701.45062	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	700.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	0.6
60.08099	8.7
65.64275	0.5
67.05420	2.7
67.77093	0.5
71.07288	6.4
75.47781	0.5
79.05408	1.2
81.06960	0.9
86.09622	54.8
92.10201	1.9
95.08536	1.2
98.98402	4.9
104.10674	4.2
109.10090	1.0
124.99954	40.7
143.01030	0.7
184.07300	100.0
185.07568	0.8
700.45239	8.6
701.44983	3.2
719.89966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4598
Annotation	Desacetylnyalolide
Peak:m/z	Relative Intensity
54.81853	1.2
55.05456	2.0
56.92772	0.9
57.03369	2.3
57.07006	1.3
60.08085	1.0
67.05432	7.1
69.06996	5.2
73.07217	1.3
74.30882	1.2
79.05409	6.7
81.06970	9.8
83.08551	1.8
86.09637	7.3
91.05411	2.4
93.06991	7.5
95.08530	6.4
97.06465	1.2
99.08043	2.6
103.97365	1.3
105.07002	5.7
107.08566	4.8
114.91003	1.2
124.99998	4.8
147.11687	1.6
184.07280	11.0
351.21298	12.1
393.71130	1.2
394.13394	1.3
394.19284	1.4
407.24335	8.3
603.46051	2.5
697.58051	1.5
700.45074	2.5
701.45874	100.0
702.46570	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	702.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02325	0.4
53.03884	3.9
55.01816	8.3
57.03370	2.0
57.91265	0.3
61.02852	1.9
65.03854	5.7
67.05424	1.6
68.99694	0.8
69.03345	5.0
70.06512	4.2
71.04917	0.9
73.02840	1.6
74.86217	0.4
75.04388	9.6
77.03817	0.5
78.04623	3.7
79.05408	6.7
81.03329	6.8
81.07007	0.5
84.04445	2.0
84.08066	1.6
85.02829	18.7
87.00747	5.6
89.03835	1.9
89.05943	1.8
90.19554	0.4
91.05406	30.3
92.10186	0.5
93.03331	22.6
93.06973	17.2
95.04897	14.5
97.02828	4.9
97.06464	5.7
99.04379	2.2
101.66230	0.4
103.03893	0.7
103.04723	0.8
103.05406	22.4
105.01812	3.2
105.03348	0.9
105.04449	0.9
105.06976	20.4
106.04117	64.4
107.04913	21.4
108.05679	0.5
109.02836	5.4
109.06467	2.4
110.07158	1.5
111.04374	1.6
115.05412	5.0
117.01786	0.6
117.03330	2.7
117.06953	0.7
118.04082	3.2
119.04903	4.1
120.05685	0.6
121.06459	74.3
122.06792	0.5
122.07304	0.5
123.04410	2.9
123.08022	2.1
124.05188	2.7
125.05948	14.7
127.03847	7.0
127.07489	0.4
129.10185	0.5
131.04895	8.9
131.05914	0.9
132.05646	0.7
133.02835	1.6
133.06464	20.9
134.03612	9.1
135.04391	6.5
135.08005	1.6
136.05121	0.5
137.05957	9.8
138.06715	3.4
139.07533	5.9
143.04907	0.5
143.06007	0.8
145.02843	3.5
145.03903	0.8
145.04973	1.7
145.06490	0.9
146.03603	0.7
147.04378	2.1
147.07982	0.5
148.05174	7.6
149.05957	100.0
150.06369	2.1
151.03868	2.5
151.07535	4.5
152.08328	2.1
153.05521	3.2
153.09085	23.6
159.02863	2.0
159.04260	0.5
159.07898	0.4
161.05946	25.5
162.06213	0.5
163.03870	14.1
163.07500	10.4
164.54968	0.4
165.05412	2.2
166.06218	3.8
167.07002	8.4
173.05943	2.4
175.03865	1.6
175.07491	0.9
176.04651	2.3
177.05435	38.5
177.09023	6.2
178.05865	0.7
179.06990	1.9
180.07782	1.6
181.05054	1.3
181.08560	35.9
182.08900	0.6
185.05745	0.4
189.05440	6.9
190.05992	0.4
191.06996	28.0
192.07315	0.6
193.08553	17.2
195.06487	7.1
199.07487	1.7
205.08502	0.9
207.06499	2.6
209.08057	78.1
210.08392	2.5
217.05025	0.6
217.08542	0.9
219.06488	0.5
221.08043	12.3
222.08540	0.4
227.07024	0.6
231.04810	0.5
233.08014	3.6
245.08257	0.4
259.09595	1.8
263.09073	2.7
287.09241	1.7
305.10196	0.6
371.14774	4.0
373.16309	0.9
383.14755	0.8
387.13974	0.7
389.16095	0.8
401.15918	1.6
409.11188	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26270	0.4
50.46952	0.4
53.03878	0.4
55.05441	1.0
56.65540	0.4
57.03367	0.5
57.06997	2.2
60.08088	10.1
66.85286	0.4
67.05394	2.3
69.06975	0.6
71.07291	4.6
71.08526	0.5
79.05405	1.0
81.06944	0.8
83.08556	0.7
86.09621	53.2
87.09954	0.6
89.05913	0.5
93.06981	0.7
95.08527	2.7
97.10087	0.5
98.98387	4.6
101.16250	0.5
104.10680	4.3
107.08534	0.8
124.99955	36.6
126.19921	0.6
126.28566	0.5
143.00981	0.8
184.07291	100.0
185.07556	1.9
227.20042	3.0
656.83160	0.5
701.45978	0.7
702.43341	7.1
703.45184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81609	0.7
60.08098	11.0
67.05430	1.4
69.07000	0.7
69.89413	0.5
71.07284	4.2
81.06985	1.0
86.09631	50.2
91.05402	0.6
92.10168	1.4
93.03945	0.5
93.06998	0.9
98.98402	3.7
104.10674	3.3
124.99966	35.6
166.18152	0.7
184.07307	100.0
185.07642	0.8
193.04852	0.7
236.59726	0.6
270.97794	0.6
331.45856	0.7
359.10715	0.6
387.59070	0.6
573.47784	1.1
701.45453	1.1
702.44110	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	702.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25278	0.6
55.05460	0.8
56.04958	0.5
57.07003	3.5
59.00738	0.8
60.08096	9.6
67.05414	1.3
69.06987	1.2
71.07292	4.9
71.07644	0.7
71.08546	1.4
81.06992	1.2
85.10107	0.9
86.09628	55.0
87.09947	0.7
89.05965	2.7
93.52334	0.6
95.08521	0.9
98.98400	3.8
104.10686	3.2
105.06951	0.6
106.95760	0.7
119.08572	0.9
122.83939	0.7
124.99967	34.6
143.01010	1.1
151.13222	0.8
177.05177	0.8
184.07300	100.0
185.07645	0.9
353.97174	0.8
702.46643	8.8
703.47278	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	702.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07597	0.1
55.05446	0.5
56.04971	0.6
57.07013	1.3
58.06542	0.2
60.08095	9.6
62.20152	0.1
67.05421	0.7
69.06992	0.2
71.07288	5.0
71.08547	1.1
76.13103	0.2
77.00114	0.1
79.05431	0.3
81.06966	0.7
85.10097	0.3
86.09627	46.7
87.09973	0.6
89.05942	1.7
91.05400	0.3
92.10897	0.3
93.06976	0.3
95.08525	0.3
98.98397	4.2
104.10683	3.3
124.99961	34.5
133.08556	0.8
143.01013	1.3
177.11211	0.2
184.07306	100.0
185.07666	1.4
269.50699	0.2
617.47589	0.2
691.94934	0.2
702.35876	0.2
702.46857	5.3
703.47498	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.47
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81453	0.2
55.05457	0.4
56.04976	0.5
56.59598	0.2
57.07012	1.3
60.08093	10.2
67.05430	1.1
69.06973	0.3
71.07287	5.1
71.08549	0.9
79.05389	0.3
81.06973	0.5
84.91267	0.2
85.10072	0.2
86.09625	53.3
86.71958	0.2
87.09970	1.0
89.05950	2.5
90.99042	0.2
92.10854	0.3
93.06977	0.3
95.08516	0.4
98.98393	4.3
104.10674	3.2
104.78635	0.2
109.10065	0.3
124.99959	34.4
126.00356	0.2
126.26579	0.2
133.08560	1.3
143.01024	1.2
152.99382	0.2
184.07303	100.0
185.07674	1.8
234.83617	0.2
260.14429	0.2
559.86493	0.3
573.48676	0.4
579.45105	0.3
702.35693	0.4
702.46649	7.2
703.47516	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21489	1.5
52.81495	1.4
53.03882	12.6
53.28875	1.5
55.01808	3.6
55.05451	26.3
57.03373	13.7
57.07013	22.0
59.04934	2.3
61.02850	15.7
67.05424	58.7
69.03350	52.2
69.03704	3.5
69.06982	42.1
70.07355	1.6
71.04905	9.8
71.08546	11.1
73.02831	25.8
78.82629	1.9
79.05406	31.8
81.03338	34.0
81.06978	67.8
83.01280	3.1
83.04886	2.4
83.08525	17.3
84.34653	2.1
85.02827	52.1
85.10105	3.8
86.09636	7.7
87.96620	1.9
89.05966	3.1
91.05382	20.5
92.10960	1.9
93.06969	38.2
95.04889	7.5
95.08536	57.0
97.02824	100.0
97.03465	3.5
97.06458	4.1
97.10125	8.3
99.04382	10.0
99.08025	2.8
105.06967	21.8
107.08543	18.5
109.02810	13.6
109.06474	3.9
109.10097	26.8
111.04374	2.5
111.11646	3.6
112.99966	2.7
113.09619	2.1
115.03870	4.0
117.06966	3.2
119.08512	15.4
121.10124	17.1
123.11651	11.6
124.99969	3.6
125.09565	2.1
127.03873	9.9
129.06958	2.5
131.08516	9.7
133.08586	2.2
133.10062	13.9
135.11679	10.7
137.13191	2.4
143.08556	2.5
145.04959	9.5
145.10126	7.1
147.11684	2.8
149.13248	4.0
151.14812	2.5
157.10156	2.0
159.11707	3.6
161.13194	2.3
163.14731	2.3
173.13287	2.3
175.14760	2.3
184.07318	11.0
205.15926	1.9
245.22540	7.7
263.23700	7.5
279.23087	3.1
317.24475	2.7
353.24768	2.8
359.25797	3.6
371.25812	8.8
382.40851	2.1
389.26828	4.1
407.27710	3.6
425.28641	3.1
573.48645	17.6
661.28870	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	702.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	0.7
57.06744	0.7
57.07011	18.0
62.06002	0.5
62.74712	0.2
62.75616	0.2
70.06506	16.3
70.06889	0.6
71.08543	10.6
71.69736	0.3
73.02811	0.5
84.04459	0.3
85.10104	4.1
86.09612	0.6
88.07549	28.3
89.07866	0.4
102.09142	0.3
104.99699	0.3
106.08607	32.6
116.07042	1.2
119.08543	0.4
127.61488	0.3
131.08476	0.3
184.07318	1.2
226.19878	0.3
270.27826	0.7
288.28891	100.0
289.29285	4.3
310.64963	0.3
482.64639	0.3
681.87653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	1.0
57.07008	4.3
60.08100	10.8
64.40735	0.6
67.05424	4.3
69.06995	0.9
71.07284	4.1
71.08546	1.0
79.05427	1.3
81.06962	2.9
85.10100	1.1
86.09624	47.3
89.05975	1.4
91.05731	5.4
93.06940	0.8
95.08547	3.0
98.98396	4.3
104.10682	3.0
112.99976	0.7
121.10065	0.9
124.99964	40.8
166.06226	0.6
167.05574	0.9
176.58945	0.8
177.79742	0.7
184.07300	100.0
185.07655	0.8
225.04245	3.6
240.03107	0.7
296.21573	0.7
333.53421	0.7
364.99152	0.7
436.49857	0.7
573.48688	6.9
589.47369	0.8
634.33868	0.7
702.49805	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	702.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69244	0.6
57.07017	0.7
60.08103	9.4
62.93796	0.7
62.99456	0.7
67.05417	1.5
69.06967	0.8
71.07277	3.6
71.86576	0.6
81.06982	1.6
86.09630	52.2
89.05939	3.5
93.06971	1.2
95.08569	1.2
98.98394	4.4
104.10675	4.6
124.99964	34.4
133.08582	0.8
143.01027	1.0
184.07307	100.0
185.07599	1.5
189.08200	0.9
503.30841	0.9
702.53333	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	702.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	15.9
57.03363	15.0
57.07013	24.7
60.08093	7.2
62.79909	3.0
67.05428	40.2
69.06985	14.6
71.04888	5.3
71.07270	4.6
71.08535	23.4
71.77966	3.0
76.91364	3.6
79.05396	17.4
81.03316	6.7
81.06969	30.2
83.08511	8.2
84.20094	3.4
85.10113	4.9
86.09624	61.8
87.09956	3.5
89.05929	8.7
91.05392	6.7
91.78573	3.2
93.06953	16.1
95.04852	4.3
95.08513	29.2
97.06461	24.2
97.10082	8.4
99.08009	18.8
105.06944	5.1
107.08502	4.2
109.06478	3.9
109.10113	7.5
119.08468	4.0
121.10091	5.0
124.37377	3.8
124.99962	45.7
125.09621	3.6
127.07417	3.6
131.08571	3.4
133.06456	5.0
133.08521	5.8
142.60562	3.1
147.64554	4.1
158.56702	4.3
177.09105	4.4
178.38019	3.5
184.07314	100.0
184.30063	3.7
185.07628	4.9
188.74095	4.0
198.10889	3.8
223.09581	4.7
227.12704	4.5
229.00717	4.2
314.96201	4.1
325.05887	3.7
341.30396	7.4
396.20734	4.0
535.43188	14.8
703.50507	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	703.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96244	3.3
56.96503	57.0
67.05420	2.6
68.08200	2.0
69.66520	1.9
71.08549	2.9
72.25330	1.8
72.38393	2.2
77.18029	2.4
83.61130	2.1
84.25449	1.9
84.95959	69.8
86.09616	13.4
87.38050	2.2
88.70377	2.2
89.75645	2.3
90.17169	2.2
92.10917	2.7
98.97504	26.6
102.97002	16.1
110.97494	4.8
116.98582	33.1
120.98061	4.0
124.99952	5.0
128.98569	16.0
134.99634	30.6
138.99101	2.4
140.98584	2.9
145.01787	2.5
146.99634	29.5
153.00641	4.3
155.03755	2.6
158.99620	11.9
161.01181	8.9
165.00568	3.2
170.99614	10.8
173.01213	4.5
177.00735	18.8
179.02174	3.7
182.99551	2.4
184.07320	10.8
189.00644	24.6
201.00667	43.3
207.01704	5.1
219.01721	39.9
237.02762	32.7
261.02750	24.9
265.02371	2.8
279.03784	22.3
319.19366	12.6
333.20834	20.6
337.20459	52.1
351.22037	44.9
355.21378	4.1
360.21802	2.8
361.20392	40.1
379.21478	46.0
393.86667	2.5
402.22726	2.6
437.25659	3.1
463.23422	26.6
481.24692	17.2
495.26016	25.5
523.25525	17.3
529.24695	2.6
539.31836	8.8
540.32202	32.4
541.32135	14.1
702.37402	100.0
703.38098	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	36.3
55.05444	8.6
57.07011	3.6
57.56062	3.9
58.99516	7.2
67.05432	47.1
69.06971	16.0
70.06504	4.7
71.20692	3.8
72.04456	4.3
73.02850	6.7
74.00568	19.2
76.02149	42.0
78.28687	4.9
79.05408	20.3
79.72283	3.8
81.06985	48.9
83.05991	18.7
83.08538	6.8
84.04427	34.9
86.00558	4.5
86.09592	17.2
86.98939	4.4
90.05480	35.3
91.05404	20.4
92.01605	10.5
93.06979	26.3
95.08526	27.7
100.02139	7.8
104.10656	5.8
104.99997	6.8
105.06963	5.4
107.08534	10.5
107.99315	7.0
109.10136	9.5
117.61974	4.4
118.48187	4.1
118.49061	4.1
122.02693	86.2
126.05483	52.9
127.05009	61.5
131.99319	18.0
139.03253	5.0
144.06526	27.8
145.01871	5.3
145.06052	30.9
147.11673	5.8
153.06537	6.8
155.08133	19.3
158.02635	9.1
162.40535	4.2
166.64603	4.3
177.99844	31.0
184.07300	20.6
185.03760	48.9
191.04828	100.0
223.01929	5.0
225.03532	10.3
231.04343	97.9
249.03537	8.4
265.03006	25.4
302.08151	5.0
312.06659	11.0
332.26111	5.4
382.23871	9.8
432.19666	4.9
457.24652	4.9
462.02142	4.8
574.29724	87.2
575.30212	4.9
614.29285	33.0
616.02496	5.4
697.28796	5.9
703.33380	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	703.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87833	1.2
54.22606	1.3
60.08080	3.7
60.12327	1.3
64.86131	1.5
67.05420	3.6
70.26862	1.3
79.05418	2.0
82.06179	1.4
86.09623	10.4
117.21783	1.5
124.99960	6.4
140.05492	1.8
184.07274	25.5
196.00729	1.4
362.05249	1.7
541.33264	29.6
542.32874	2.2
703.38464	100.0
704.39282	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	703.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60923	3.4
53.00246	5.8
55.05453	34.2
57.03371	39.5
57.07012	92.6
67.05424	84.5
69.06974	26.7
71.04869	4.6
71.08543	59.2
79.05410	68.5
81.06978	100.0
83.08537	24.5
85.10106	29.2
86.09631	18.2
89.05943	5.8
91.05403	61.7
93.06982	66.9
95.04887	7.8
95.08530	93.6
97.10115	5.1
97.79777	4.1
98.98385	27.1
105.06970	59.1
107.08524	34.6
109.06380	3.8
109.10103	28.3
117.06999	38.7
119.08537	35.8
121.10078	21.3
123.11644	7.9
124.99954	7.9
129.06972	8.0
131.08524	36.1
133.10109	25.5
135.08012	5.6
135.11664	6.1
143.08563	5.0
145.10086	27.2
147.11609	8.5
147.38033	3.9
155.00984	9.1
157.10106	7.2
159.11694	21.2
163.11049	3.7
173.07033	5.2
173.13173	7.0
183.11676	5.0
184.07318	40.6
185.13145	6.0
187.14767	6.5
205.15813	17.8
219.17258	7.7
257.18900	24.7
275.20032	17.2
276.20239	5.3
313.27417	38.8
331.22842	5.8
517.42462	26.0
569.45581	9.1
575.49915	21.0
587.46625	98.5
588.47339	15.7
605.47156	18.0
703.47278	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81312	0.3
55.05437	0.9
56.04957	0.7
57.06764	0.4
57.07005	3.9
58.06211	0.3
58.06516	0.6
58.56015	0.3
60.07825	0.5
60.08091	8.8
67.05429	4.5
69.06961	1.7
71.07287	4.8
71.08534	2.2
79.05403	0.8
81.06973	4.1
83.08520	1.5
85.10119	0.6
86.09626	51.9
86.13754	0.3
87.04384	0.4
87.10008	0.4
89.05940	5.4
90.06290	0.7
91.05378	0.8
93.06956	1.8
95.08541	4.1
97.10085	0.5
98.98399	4.4
101.53580	0.4
104.10672	3.6
105.06978	0.7
107.08504	0.7
109.10093	0.8
109.14551	0.4
112.99948	1.5
116.82732	0.4
124.99963	36.6
133.08566	2.0
134.08977	0.5
135.11653	0.4
141.03093	0.4
143.00992	0.8
177.11159	0.8
177.76593	0.4
184.07300	100.0
185.07625	0.5
334.31491	0.4
449.97363	0.4
451.52570	0.4
575.50208	8.2
614.38495	0.4
703.46771	0.7
704.44733	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	704.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	2.6
56.05003	0.5
57.07015	4.6
60.08095	11.6
67.05434	7.6
69.06980	2.6
71.07287	4.9
71.08536	2.8
73.17996	0.4
79.05393	2.0
81.06976	6.0
83.08537	1.7
85.10097	0.7
86.09631	50.1
87.09954	1.0
88.21394	0.5
91.05391	1.7
93.06956	1.7
95.08533	5.1
96.05234	0.4
97.10123	0.8
98.98392	3.3
104.10665	4.3
109.10098	2.4
112.99950	1.8
124.99967	33.4
126.00339	0.6
143.01082	0.7
169.02589	1.0
184.07317	100.0
185.07605	2.1
265.03629	0.4
284.11127	0.5
462.65927	0.5
541.21979	0.6
575.50250	12.6
576.51459	0.6
703.47089	0.8
704.48169	12.0
705.47980	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	704.485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	3.3
56.04945	0.4
57.03375	0.6
57.07010	7.3
58.06522	0.4
58.36776	0.4
60.08091	8.9
67.05424	10.1
69.06974	3.2
71.07281	4.6
71.08543	4.8
79.05403	4.1
79.71239	0.5
81.06977	10.5
83.08528	3.1
85.10090	1.1
86.09620	44.2
89.05950	0.8
91.05384	2.3
93.06974	3.4
95.08527	8.6
97.10069	0.8
98.98403	3.8
104.10659	2.8
105.06979	0.9
107.08513	1.0
109.10110	3.7
111.08025	0.5
112.99936	2.3
121.10091	0.6
123.11665	0.7
124.99953	31.6
131.08527	0.6
135.11639	0.6
140.67274	0.5
169.02541	1.0
184.07288	100.0
185.07637	1.0
313.27344	0.7
387.28693	0.5
575.50116	19.3
576.50446	0.8
588.46759	1.1
704.48206	10.3
705.48383	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	704.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	10.6
55.92144	1.8
57.07009	34.4
67.05424	45.1
68.85690	2.0
69.06991	16.3
71.08545	17.3
75.05042	1.9
79.05412	16.7
79.69388	1.8
81.06973	42.9
83.08547	9.0
85.10112	10.2
86.09634	14.4
90.38097	1.8
91.05408	4.3
92.10357	7.7
92.10952	3.6
93.06970	10.8
95.08537	35.4
107.08552	2.8
109.10099	11.9
109.15781	2.2
111.87238	1.9
112.99941	15.2
119.08508	2.9
121.10165	2.2
123.11698	2.3
124.99915	7.8
135.11687	2.0
169.02585	8.0
184.07303	26.3
219.49449	2.1
240.96561	2.1
247.15323	2.1
370.51190	2.3
380.29739	2.3
404.01593	2.4
431.19186	2.1
575.50250	100.0
576.50385	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	705.1849
Annotation	Diinsinin
Peak:m/z	Relative Intensity
57.76052	0.6
96.39003	0.6
127.70275	0.8
177.78262	0.6
179.54503	0.7
226.27786	0.8
278.32385	0.6
305.51883	0.7
317.51526	0.7
363.00586	0.8
486.09637	0.7
543.13287	17.2
619.27075	0.8
705.18384	100.0
706.18481	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	705.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00257	2.0
55.05462	18.7
57.03366	1.8
57.07014	37.1
65.24959	1.7
67.05431	52.9
69.06985	23.9
71.08549	23.8
79.05429	16.5
81.06976	49.6
82.07335	2.7
83.08555	14.4
85.10120	11.7
86.09652	8.1
91.05425	8.4
93.06963	16.7
95.04936	2.0
95.08537	48.2
96.08887	2.9
97.10129	7.4
105.06993	4.2
107.08540	7.5
109.10108	13.5
112.99971	14.4
119.08590	2.8
121.10136	2.6
123.11683	3.8
124.99992	4.0
133.10123	3.3
135.11639	1.9
148.14238	1.8
159.57364	1.7
169.02626	8.5
184.07292	13.4
245.22394	1.6
274.44955	1.8
294.28888	2.1
313.27350	2.8
421.86810	2.1
456.89688	1.8
543.65607	1.9
570.04260	2.0
575.50391	52.4
576.50598	68.5
577.51501	3.9
704.46869	2.4
705.47247	100.0
706.47156	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	705.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53228	1.1
53.53740	1.1
55.05453	6.0
55.28474	1.4
57.07011	6.1
57.83807	1.2
60.08096	1.7
67.05428	12.0
69.06989	2.4
71.08527	4.6
73.82914	1.2
79.05411	2.8
81.06966	12.0
83.08546	2.0
86.09646	6.9
86.35517	1.4
92.11034	2.8
93.06960	2.3
95.08541	10.2
100.69818	1.3
105.06999	2.8
109.10109	2.0
109.66653	1.2
112.99981	1.3
124.99974	6.1
131.08472	1.2
184.07326	12.7
260.54703	1.3
306.89206	1.3
353.23044	5.5
575.50494	9.2
576.50391	11.5
577.51788	5.5
610.34973	1.5
652.44922	1.6
705.49036	100.0
706.49481	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	706.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04964	0.7
60.08089	10.2
60.22868	0.3
63.74537	0.4
67.05425	0.5
69.06971	0.3
71.07285	4.4
72.65162	0.4
74.45322	0.4
75.62158	0.4
77.54958	0.5
81.06973	0.5
84.08052	0.5
86.09626	51.4
87.09953	0.6
92.88890	0.4
96.64509	0.4
98.98404	4.1
104.10683	3.2
109.10093	0.6
120.52742	0.4
124.99958	35.3
137.05931	1.9
137.84109	0.4
142.75243	0.5
143.00999	0.9
165.83926	0.4
168.21581	0.4
183.55260	0.4
184.07304	100.0
185.07674	2.0
248.69965	0.5
251.21356	0.5
338.11646	0.5
396.33990	0.4
688.40906	2.6
703.00488	0.5
706.42627	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	706.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	2.2
57.03354	0.9
57.07007	6.5
59.66552	0.5
60.08096	8.6
61.37926	0.5
65.03867	0.7
67.05431	4.6
69.06983	5.0
71.07287	5.3
71.08538	3.1
79.05401	2.5
81.06970	7.2
83.08535	1.4
86.09623	49.0
87.09978	0.8
91.05411	1.5
93.06964	2.6
95.08521	5.8
97.10085	0.7
98.98386	2.9
104.10680	3.0
105.06983	1.1
107.08544	1.1
109.10107	1.3
112.99956	3.2
119.08549	1.1
120.08838	0.6
121.10117	0.7
124.99956	31.7
133.10110	0.7
143.01027	1.1
169.02567	1.0
184.07294	100.0
185.07628	0.7
217.09964	0.6
271.19003	0.7
291.52322	0.8
576.50787	0.9
577.51648	8.9
594.45685	0.8
706.49939	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	707.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54113	0.1
54.43607	0.1
56.04967	1.0
65.59802	0.1
79.05405	0.4
84.04426	29.4
84.89481	0.1
85.04750	0.3
89.93873	0.2
91.05405	0.7
93.06958	0.3
102.05488	1.0
103.05401	5.8
104.05744	0.2
107.04889	2.8
113.27934	0.2
120.08057	100.0
121.08395	2.5
122.42085	0.2
130.04976	5.5
131.04890	4.1
142.11497	0.2
149.05951	2.4
158.09682	0.2
166.08598	26.5
167.08939	0.8
186.09105	7.6
212.25650	0.2
231.11398	0.2
232.09633	4.9
238.70274	0.2
277.11890	0.2
278.10138	3.3
295.12827	27.2
296.13068	1.5
386.02655	0.2
512.15436	0.2
523.35663	0.2
728.19708	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	707.464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65612	5.1
55.05450	52.3
57.03371	8.6
57.07006	41.0
59.06050	7.7
60.05578	50.8
67.05423	97.9
69.06981	50.8
71.08548	25.8
79.05419	43.1
81.06971	100.0
83.08534	11.3
85.10117	7.4
89.76416	5.4
91.05411	27.9
93.06969	62.1
95.08537	64.0
97.10162	7.2
105.06972	40.2
107.08540	15.2
109.10099	27.1
112.99962	61.2
117.06964	7.0
119.08532	27.1
121.10100	25.9
121.65981	5.6
129.06934	9.4
131.08519	31.2
133.10094	24.1
134.31590	6.2
135.11597	9.9
143.08559	9.8
145.10138	5.9
159.11655	13.1
169.02654	10.0
201.86681	6.1
438.38840	5.9
521.56598	7.1
577.51886	67.0
578.51892	63.3
595.47137	87.8
603.73370	8.3
707.48535	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	709.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05231	0.2
54.98561	0.2
56.96501	10.3
60.08095	0.3
67.05421	0.3
70.00637	0.2
71.95164	0.5
86.09637	1.2
91.05365	0.3
94.04122	0.5
98.97507	29.3
108.19490	0.2
114.99416	0.3
116.98566	54.7
122.03616	2.6
124.99940	0.3
134.99623	67.8
137.05949	47.8
138.06300	0.6
140.00154	1.5
153.00679	17.4
158.01212	3.1
176.02303	0.4
184.00363	0.4
184.07292	1.6
185.07651	0.3
193.01674	0.4
197.01175	3.0
198.01956	1.1
208.10043	0.5
211.02756	1.6
215.02246	1.6
216.03038	0.5
220.00389	1.3
224.09709	1.8
225.07921	0.4
226.01488	0.4
226.11098	16.0
229.03743	0.3
235.02721	28.7
236.03233	0.4
238.01451	4.0
241.03743	0.5
242.10544	2.2
244.12140	17.7
253.03780	100.0
254.04047	2.3
256.02478	0.5
263.22052	0.3
267.05231	0.3
267.13751	0.9
268.12073	2.6
271.04831	9.3
276.05414	5.5
278.78082	0.3
280.12173	0.5
286.13266	1.2
298.13379	0.4
329.12894	2.0
344.15210	3.7
347.13980	0.6
362.16135	2.4
404.17355	78.1
405.17700	3.4
445.20175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
54.91223	2.8
55.05441	12.0
57.07007	22.1
67.05417	44.0
69.06982	14.3
71.08543	8.0
79.05399	15.2
81.06972	45.5
83.08544	5.0
85.10101	3.6
86.09618	16.1
87.09930	3.4
91.05435	5.6
93.06963	19.8
95.08533	30.2
105.06969	7.5
107.08545	6.3
109.10115	13.5
112.99965	12.2
119.08540	5.2
121.10059	4.1
124.99953	6.6
131.08533	3.7
134.98152	37.1
184.07315	30.8
236.33067	3.5
242.23656	3.4
258.00900	3.3
356.71167	3.1
393.68042	3.6
461.58398	3.8
499.20648	4.5
575.49756	5.7
597.48431	100.0
598.48615	7.6
709.47772	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	3.4
55.05458	25.3
55.60284	2.3
57.03355	2.8
57.07008	35.0
57.47442	2.8
57.62574	2.4
60.39446	2.8
62.28726	2.5
67.05430	60.1
69.06984	20.4
71.08540	7.6
75.59931	3.0
79.05421	31.3
81.06983	58.3
81.32160	2.9
83.08537	12.2
90.75536	2.9
91.05403	15.6
92.10359	18.4
93.06995	30.2
95.04855	3.6
95.08549	41.7
105.06948	15.0
107.08547	15.0
109.10112	14.8
112.99934	14.1
119.08523	13.1
121.10098	6.0
131.08542	6.1
133.10110	7.3
134.98154	39.3
141.34152	3.2
145.10036	6.3
147.11638	3.9
159.11571	3.6
173.10629	3.2
202.56097	3.4
236.14772	6.4
264.20862	3.7
327.07727	19.1
328.08087	3.9
341.26517	3.7
372.09216	3.6
383.13977	3.8
439.20230	13.0
440.20380	5.6
495.26794	5.3
597.48425	100.0
598.48212	5.3
608.39380	5.9
624.87952	4.0
664.45477	7.5
709.47552	38.0
710.47015	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	711.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16489	0.1
51.73047	0.1
53.00253	0.1
53.03880	0.6
55.01811	0.2
55.05458	0.1
56.04966	0.1
57.03377	0.2
61.02855	0.1
65.03863	1.5
67.05421	0.6
69.03345	2.1
69.45786	0.1
70.06504	0.7
71.04908	0.7
71.80051	0.1
73.02824	0.5
81.03336	2.4
83.01257	0.1
83.04890	0.3
84.04441	0.2
84.08076	0.2
85.02821	5.1
86.09621	0.2
88.18430	0.1
91.05400	3.0
91.05952	0.2
93.03329	1.3
95.04882	0.2
97.02818	28.7
98.03135	0.1
99.04381	3.6
100.11163	0.1
103.03874	4.0
107.04887	0.5
109.02824	3.0
110.07114	0.2
110.97428	0.1
111.04369	0.3
115.03863	0.1
115.05384	0.4
119.04892	9.1
120.05183	0.1
121.02814	0.9
125.02367	0.1
127.03870	100.0
128.04196	1.6
128.06163	0.4
129.06982	0.4
129.10210	0.2
131.04874	0.3
131.08513	1.5
139.03906	0.2
141.06970	1.3
143.08566	0.2
144.05687	1.4
145.04919	2.2
147.04381	29.7
148.04738	0.8
149.02310	1.2
152.06163	0.2
153.06956	0.5
157.06421	1.1
158.07216	0.4
159.08018	5.5
163.05983	0.7
166.35425	0.1
167.03358	3.5
169.06427	2.8
169.07658	0.2
171.08011	0.5
185.05901	0.8
187.05936	0.5
187.07480	2.7
197.05925	2.6
210.14951	0.1
215.07005	2.5
225.05405	0.1
233.08153	0.1
243.06491	0.9
261.07504	5.1
261.10181	0.2
271.07938	0.6
279.08514	0.8
289.09155	0.4
292.08032	0.1
307.10199	0.2
433.13284	2.6
446.39059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	11.2
56.04974	32.0
56.96488	4.2
60.04439	10.0
61.01065	5.7
67.05408	4.2
67.49659	2.0
68.04922	3.5
69.06992	5.3
70.06511	58.3
71.04906	3.3
72.08070	23.0
74.05972	10.4
76.02128	3.5
81.06977	2.2
83.06030	9.9
84.04430	55.2
84.08065	100.0
85.02808	5.4
85.08399	4.3
86.09624	63.2
87.05507	4.1
87.09965	3.5
88.03922	2.8
91.05383	4.9
92.10845	2.2
93.04431	2.6
93.06951	4.7
95.06026	3.0
95.08549	2.8
96.04439	2.3
97.02797	3.6
98.06003	4.1
101.07067	11.0
102.05461	10.1
103.05399	3.2
103.26112	2.2
104.05251	13.8
104.57111	2.3
105.03424	2.5
105.06901	2.8
110.07121	23.9
112.08675	2.8
113.98968	2.8
115.08649	2.5
120.08059	13.4
122.05948	3.0
124.11135	2.9
128.02333	2.5
129.06508	5.4
129.10213	45.5
130.10524	2.4
136.07542	14.0
137.07787	2.8
141.01727	3.4
141.10152	3.2
146.75331	2.9
154.04994	3.4
157.06108	2.8
158.02722	3.0
187.14386	9.9
193.06325	2.7
195.11266	2.7
198.10905	3.0
224.00325	2.6
240.05435	10.1
293.09265	3.1
301.08362	3.0
311.10291	3.7
323.07138	3.4
327.10010	11.0
335.06781	3.7
339.06421	3.7
339.10101	12.2
341.07959	13.0
345.11099	8.7
349.08539	6.1
351.09949	13.4
353.07983	18.6
355.09500	9.7
357.10941	3.6
365.08026	3.5
367.09457	19.1
369.11041	16.0
371.09015	5.7
373.59967	2.9
377.07828	6.0
381.06976	4.3
385.10461	9.9
393.07556	11.9
395.09030	33.0
397.10510	3.9
407.09146	9.3
409.10739	8.5
411.08295	13.4
413.10126	12.9
425.10126	18.3
427.11511	16.6
437.89981	3.0
516.14075	4.6
534.15320	3.0
548.16772	10.0
566.17944	4.2
639.21106	4.0
657.22125	3.8
671.23700	58.2
672.23523	3.1
689.24646	66.6
712.26154	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	712.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81515	0.1
57.03369	0.3
58.40697	0.1
62.36422	0.1
63.80305	0.1
65.97045	0.2
69.03336	0.2
71.97120	0.1
78.07612	0.1
85.02825	0.2
86.34959	0.1
94.17776	0.1
97.36849	0.1
116.88628	0.2
119.03496	0.3
136.06171	100.0
137.04541	0.3
137.06601	1.3
137.07376	0.2
170.49405	0.1
268.10364	16.0
269.10617	0.3
310.26321	0.2
406.36618	0.1
616.06818	0.2
643.34625	0.2
681.17987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49644	0.4
55.05440	1.9
56.04967	0.4
57.03349	0.5
57.06999	0.7
58.06516	0.5
60.08093	9.2
65.00331	0.4
67.05421	5.6
69.06968	2.1
70.06500	1.1
71.07279	5.9
75.52850	0.4
79.05400	2.2
81.06969	5.4
83.08518	0.7
83.13272	0.4
86.09621	48.8
91.05394	2.1
93.06961	2.5
95.08530	3.3
98.07460	0.4
98.98364	4.6
99.67476	0.5
104.10677	2.9
105.06954	0.9
108.42212	0.5
109.10078	0.7
112.99995	0.6
116.99524	0.5
119.08497	0.6
121.10099	0.8
124.99959	34.1
143.01041	1.9
184.07292	100.0
185.07689	0.8
191.44962	0.5
208.53110	0.5
259.98615	0.5
302.24615	0.5
337.26923	0.5
533.01398	0.6
597.48193	2.2
599.49884	1.7
600.50232	1.9
616.23969	0.5
712.45160	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	712.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23312	3.2
55.05451	28.6
56.04972	5.3
57.07001	6.5
60.04443	5.6
61.15781	3.6
67.05428	100.0
69.06983	24.2
77.52267	4.3
79.05405	37.9
80.04917	4.2
81.06979	68.1
82.06509	34.7
83.08537	7.5
85.06037	3.8
91.05424	36.7
91.05915	5.8
93.06965	22.6
94.06504	9.0
95.08540	48.5
96.30724	3.8
97.10085	6.6
105.06985	24.9
107.08524	8.3
109.10110	19.6
111.09418	3.8
115.34747	4.0
117.06941	27.0
119.08540	16.7
120.08093	5.2
121.08855	9.0
123.11650	7.8
124.68578	3.8
131.08545	23.9
133.10146	5.0
134.98177	5.6
145.10097	16.3
159.11620	15.2
183.92206	4.2
194.77985	4.2
243.21077	20.3
260.23666	76.1
272.25797	5.3
278.39648	4.3
325.91214	4.2
514.45819	17.6
532.46747	18.5
576.24646	4.8
597.48700	16.7
600.50226	8.6
680.05780	4.5
694.52069	8.6
712.49078	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	712.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91598	1.4
53.03867	2.0
55.05450	15.0
56.04969	2.5
57.06993	7.0
60.51934	1.7
67.05434	26.7
68.04968	2.0
69.06979	7.5
70.06518	1.7
71.08556	2.2
72.55753	1.9
79.05415	23.8
80.04942	4.0
81.03324	1.8
81.06985	24.4
82.06483	8.2
83.08528	8.9
85.02828	2.2
87.23128	1.7
91.05396	30.3
93.06967	21.6
94.06497	32.3
95.04860	1.7
95.07267	9.8
95.08545	18.3
96.64313	1.9
101.02224	2.1
105.06983	18.0
106.05752	1.7
106.06511	9.8
107.08537	11.0
108.08056	16.8
109.10091	7.3
117.06958	12.3
119.08534	16.0
120.08067	4.2
121.10083	6.4
122.09599	11.4
123.11592	2.1
131.08510	10.6
132.08034	4.2
133.10106	7.7
134.09613	14.3
145.10098	4.4
146.09608	3.4
147.10416	8.7
147.11557	2.6
148.11171	7.0
159.11746	1.9
231.21089	3.3
243.20978	7.7
248.23692	12.1
260.20941	3.5
260.23672	100.0
261.24161	2.7
278.24765	4.2
502.46103	4.1
514.45917	9.5
516.47559	3.6
532.47375	30.3
597.48999	2.5
600.49774	9.0
694.51715	9.6
712.49005	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	713.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
66.37473	0.5
70.71935	0.6
76.44758	0.7
79.05415	0.7
84.04430	29.7
84.04938	1.0
103.05374	4.2
107.04903	3.1
115.00619	0.6
116.98558	0.6
120.08058	100.0
121.08409	1.1
130.04961	5.0
131.04880	4.4
133.38589	0.6
133.94798	0.6
149.05945	2.4
166.08606	27.0
186.09125	8.3
214.02187	0.6
223.06491	0.7
232.09669	5.0
265.07446	1.0
274.97275	0.8
278.10284	3.7
295.12811	25.0
327.02411	0.6
613.82947	0.7
694.26837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12657	3.7
52.31431	3.9
52.77177	3.4
55.05446	6.5
57.07001	29.7
60.61226	3.8
61.99528	4.1
63.30374	3.5
64.33258	3.6
67.05416	27.6
68.70193	3.9
69.06963	9.1
71.08536	18.6
79.05408	31.3
81.06976	33.4
83.08529	5.4
85.10099	9.5
91.05402	19.8
93.06966	37.8
95.08530	27.4
95.26406	4.6
105.06975	8.4
106.11185	4.2
107.08520	10.8
109.10079	6.2
113.35720	4.1
118.81337	4.8
119.08501	4.5
121.10083	4.7
131.08476	4.6
145.10077	5.7
145.59628	5.4
184.07202	8.7
512.06818	4.7
573.48761	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	99.4
57.03380	6.6
57.06995	7.7
57.99854	5.1
64.33080	6.1
64.86089	4.7
67.05431	56.1
69.03343	6.9
69.06976	38.8
73.47060	5.4
79.05405	33.9
81.06974	46.7
83.08539	62.4
91.05386	5.5
93.06978	33.1
95.08538	28.3
96.99770	6.9
97.10098	100.0
106.05596	5.2
107.08546	46.6
109.10066	12.6
121.10107	8.5
123.56689	5.2
125.09589	69.9
189.11166	35.4
189.28065	6.0
202.93704	6.1
227.12772	81.2
286.05444	6.0
397.22128	13.4
415.23044	30.8
509.38141	49.6
588.16309	6.5
599.49707	10.2
661.46118	9.5
679.47064	41.2
683.83636	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	714.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.0
55.05445	14.2
56.04972	7.2
56.05207	0.9
57.07011	5.7
58.06514	0.7
60.04436	2.6
61.02837	0.5
65.03867	0.7
67.04142	0.6
67.05077	1.0
67.05421	21.7
67.71088	0.6
68.04939	0.8
69.03339	1.3
69.06611	0.7
69.06984	15.9
70.06504	3.4
71.08528	2.4
79.05401	18.4
80.04928	3.9
81.05692	0.7
81.06967	20.0
82.06497	12.0
83.08543	6.6
83.89608	0.6
84.08044	0.7
85.02830	4.2
85.10096	0.8
91.05394	12.7
93.06966	15.6
94.06490	28.8
95.04884	1.4
95.07273	13.7
95.08527	14.5
96.08052	8.6
97.02833	0.8
97.10095	2.5
99.52511	0.6
102.65027	0.6
105.06963	10.2
106.06458	0.6
107.08509	7.3
108.08046	5.8
109.10074	4.8
111.11671	0.7
117.06942	0.8
119.08525	6.7
121.10098	7.4
122.09641	4.1
123.11617	2.2
133.10039	4.3
135.10402	0.8
135.11627	2.7
136.11168	0.9
147.11682	0.7
149.13213	0.7
175.87781	0.6
206.70923	0.6
225.08350	0.7
233.22615	1.4
245.20253	0.7
245.22591	4.0
250.25130	8.3
262.25217	100.0
263.25626	6.1
272.25702	4.4
280.26254	6.9
504.47498	4.7
516.47632	30.7
517.48242	2.1
518.49213	3.9
534.48669	17.8
535.48645	1.1
551.94995	0.6
599.49951	3.2
696.54138	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	714.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99749	0.5
53.00249	0.7
53.03873	2.1
53.69743	0.5
55.05453	13.5
56.04984	5.9
56.39077	0.5
57.07022	5.2
58.06538	0.6
60.04458	1.3
62.77264	0.5
65.03880	0.7
67.05429	21.8
67.33475	0.5
68.04958	0.9
69.03348	1.2
69.06988	11.8
70.06507	3.1
71.08547	2.3
71.43714	0.5
72.20846	0.5
79.05410	15.2
80.04936	4.3
81.05714	2.1
81.06971	18.2
82.06496	10.3
82.34177	0.5
83.08539	8.3
84.08086	0.6
85.02824	3.5
85.10120	0.5
91.05400	13.6
93.06969	18.8
94.06491	26.4
95.04913	2.9
95.07280	15.5
95.08533	14.5
96.08065	8.0
97.06458	0.8
97.10107	3.1
105.06969	8.2
107.08533	6.8
108.08051	5.4
109.10127	4.4
119.08557	8.3
121.10107	7.0
122.09631	4.1
123.11659	1.3
133.10109	3.8
135.10493	0.8
135.11646	4.0
136.11206	2.3
147.11765	1.1
149.13159	0.7
151.14896	0.8
215.06038	0.5
226.83275	0.6
233.22569	2.3
245.22583	2.8
250.25240	10.4
262.25238	100.0
263.25693	5.0
272.25757	3.2
280.26303	7.7
504.47510	3.7
516.47601	27.6
517.47839	2.4
518.49261	4.1
534.48700	17.5
535.49017	2.2
599.49951	1.1
696.53876	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	716.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57235	0.2
53.03889	0.4
53.79821	0.2
55.01806	0.4
55.05438	2.0
56.04962	0.5
56.05440	0.3
58.99508	0.3
67.05441	2.7
69.03336	2.3
69.06999	0.3
69.43378	0.3
70.06509	6.3
71.04892	0.5
73.02826	0.3
74.00582	0.3
78.91615	0.3
79.05402	5.0
81.03326	3.4
81.04496	0.3
81.06950	1.6
83.04894	1.5
84.04425	2.7
84.08051	2.5
85.02808	1.4
85.08372	0.3
86.00562	0.3
86.09621	1.2
86.20035	0.3
87.04448	0.3
88.03888	1.1
91.05399	4.1
93.06948	1.3
95.04881	3.4
95.08504	1.3
97.02825	1.2
97.06453	0.6
99.04379	1.7
102.04678	0.4
102.05453	0.5
103.05384	1.7
105.06971	4.5
106.04092	1.3
107.04900	7.8
107.08526	0.6
109.02803	1.7
109.06482	1.5
109.10104	12.4
110.07110	1.7
111.04395	0.7
112.02131	0.4
115.05383	0.4
117.06907	0.4
118.04047	0.5
119.04861	0.5
119.08537	3.9
120.08046	0.3
121.06468	2.4
123.02605	0.7
123.04350	0.3
123.07992	0.3
125.05942	1.6
127.03857	0.5
128.06172	1.6
129.06981	0.5
129.10207	1.1
130.03979	0.3
131.04922	2.1
132.05652	0.7
133.06477	1.3
133.10075	4.3
134.01799	1.3
135.02568	2.1
135.08020	0.4
136.07535	1.2
137.05959	0.4
137.09589	16.2
143.08543	4.7
144.75412	0.3
145.06450	0.4
145.10092	0.4
146.06076	0.3
146.07225	1.3
147.04376	1.9
147.08020	6.1
148.05252	0.4
148.07494	0.5
149.05942	1.6
150.01306	0.6
150.05467	0.7
151.02110	3.0
153.03632	0.3
161.00432	0.4
161.01640	0.6
161.05928	1.1
161.09570	26.3
162.01295	8.9
162.09943	0.4
163.02094	3.9
163.03413	0.4
163.07475	0.6
163.11217	0.3
165.03708	0.5
165.09071	15.5
167.07011	10.1
171.08046	0.3
175.03911	0.5
176.04631	1.2
177.03754	0.4
177.05428	1.6
179.01613	3.9
179.10645	2.0
180.02335	0.4
181.03105	0.7
181.04762	0.3
181.08568	0.5
189.09076	2.6
190.00789	10.0
191.01572	2.5
191.06987	5.1
192.06454	1.9
192.07846	1.8
193.03154	1.2
193.08516	1.2
194.09225	0.5
197.11658	0.6
207.01134	0.7
207.10349	9.1
208.00060	0.5
208.01863	8.5
209.08098	1.6
213.05783	0.3
223.04193	100.0
224.04457	2.8
225.11212	3.2
255.06415	1.2
271.05847	0.4
295.05872	0.3
300.08859	0.6
312.08929	16.4
316.63757	0.3
330.10019	6.5
369.15460	1.5
387.16446	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	1.6
53.95661	0.8
55.01822	1.5
55.05441	1.7
59.92045	0.8
61.07035	0.8
61.35201	1.0
66.10725	1.0
67.05429	3.9
67.13557	1.0
69.03336	7.0
69.06962	0.9
70.06493	12.5
71.04892	8.9
71.46638	0.8
72.08079	1.7
72.55370	1.1
74.04572	0.9
74.51487	0.9
75.44297	0.8
75.84889	1.0
76.55891	0.9
79.05404	13.4
81.03318	1.5
81.06961	2.1
82.21724	0.9
83.04906	1.1
84.04418	4.4
84.08062	7.3
85.02829	5.1
85.06470	1.2
86.09621	5.2
89.13647	1.0
91.05399	12.1
93.04397	1.1
93.06969	5.2
95.04877	4.5
95.08537	2.3
97.02808	1.9
99.04385	9.7
105.06969	25.2
106.16200	1.0
107.04906	18.5
107.08524	7.0
108.05200	1.2
109.02885	1.3
109.06446	2.1
109.10097	4.5
110.07091	1.5
115.05447	1.6
117.06955	2.3
118.60806	1.2
119.08529	34.2
120.08097	1.6
120.08896	1.8
121.06446	5.9
121.10102	2.2
128.06151	6.4
129.06947	2.5
129.10188	5.0
131.08539	4.9
133.06448	1.6
133.10100	33.0
134.10452	1.6
137.09583	9.1
140.45041	1.1
143.08521	16.8
145.06461	1.6
145.10139	4.2
146.07233	6.6
147.08023	26.5
147.11691	1.5
161.09581	100.0
162.09969	5.7
165.09085	10.5
166.09529	1.5
171.08049	2.4
174.06796	1.9
179.10660	6.5
189.09052	11.5
207.10135	18.5
225.11108	1.9
244.92941	1.2
301.77283	1.4
306.09393	1.2
311.11188	2.4
329.12231	50.2
330.12375	4.1
473.16251	7.0
575.64557	1.2
715.50012	2.6
716.50696	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36308	0.4
54.81712	0.6
55.05444	2.4
57.03377	0.7
67.05428	1.9
68.29449	0.4
69.03336	3.6
69.06971	0.4
71.04882	0.4
74.47959	0.4
79.05414	0.9
81.03320	2.2
81.06976	1.7
83.04897	3.0
85.02815	2.0
86.33965	0.4
89.05962	0.9
91.05395	8.8
93.06990	0.7
95.01577	3.3
95.04896	1.8
101.04974	0.5
103.05400	0.7
105.06979	0.7
107.08550	0.8
111.04359	3.4
117.06967	3.1
119.08533	100.0
120.08835	2.0
129.05402	1.2
133.06464	6.1
135.08049	0.6
155.01891	2.7
157.04979	0.5
166.48471	0.5
171.01357	14.9
202.64302	0.5
221.10066	0.6
237.09735	1.9
303.17926	2.5
319.46698	0.5
417.22922	0.6
431.22833	0.8
467.59213	0.6
563.28632	0.7
657.94189	0.8
699.37030	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69124	0.2
55.05447	0.7
56.04973	0.4
57.07020	0.3
58.05892	0.2
58.06541	0.3
58.53257	0.2
60.08096	9.6
60.60204	0.2
67.05428	1.4
67.17209	0.2
69.06979	0.9
70.06516	0.2
71.07292	4.4
71.08572	0.2
76.84370	0.1
79.05401	0.8
81.06956	1.5
83.08538	0.4
85.10139	0.2
86.09626	47.6
87.09973	0.3
91.05425	0.2
93.06944	0.6
94.11697	0.2
95.08499	1.3
97.42789	0.2
98.98392	4.3
104.10665	3.1
105.06905	0.2
107.08504	0.4
109.10107	0.3
124.99961	35.4
133.10133	0.2
143.01045	1.4
166.02731	0.2
173.71924	0.2
184.07301	100.0
185.07582	1.1
251.30328	0.2
263.84543	0.2
299.93002	0.2
306.27847	0.3
474.78082	0.2
575.49512	0.3
601.51135	0.4
610.78735	0.2
716.44818	5.9
717.44391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	0.7
56.04972	0.3
57.07002	0.3
58.06537	0.3
60.08094	10.4
61.25332	0.3
63.85787	0.3
67.05416	1.8
69.06981	0.3
71.07297	5.6
72.47733	0.3
79.05397	0.4
81.06961	1.4
86.09626	54.2
87.09938	0.4
93.06972	0.7
95.08530	1.4
97.73031	0.3
98.98399	5.1
104.10699	3.8
109.10072	0.3
124.99964	37.4
143.00996	0.7
184.07304	100.0
185.07637	1.9
212.70779	0.3
350.17776	0.3
371.10095	0.4
426.89294	0.3
601.51361	0.4
716.44733	9.4
717.44873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48803	0.3
51.41300	0.3
55.05442	0.7
56.04990	0.5
57.07018	0.5
60.08097	10.6
67.05413	2.0
69.06992	0.7
71.07299	4.3
73.35859	0.4
79.05428	0.7
81.06989	1.7
81.54712	0.5
83.08569	0.5
83.71594	0.4
86.09630	56.4
87.09960	0.7
91.05398	0.6
93.06951	0.8
95.08522	1.8
96.44100	0.4
98.98385	3.8
104.10670	4.4
105.06967	0.5
109.10062	0.7
124.99962	37.7
133.10078	0.5
143.01006	0.8
145.55638	0.4
156.21407	0.5
184.07307	100.0
185.07716	0.8
274.85934	0.5
688.44019	0.5
716.44757	8.8
717.44348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05435	0.4
56.04994	0.3
59.03345	0.3
60.08094	8.7
67.05419	1.8
69.06973	0.5
71.07285	4.5
76.56592	0.3
79.05447	1.0
81.06961	2.0
83.08543	0.4
86.09627	49.4
93.06976	0.5
95.08507	0.8
98.98388	4.2
104.10675	3.0
109.10066	0.6
124.99962	32.7
126.00268	0.6
179.54422	0.4
184.07303	100.0
185.07654	1.4
251.73444	0.5
306.27985	1.2
327.73129	0.4
443.80109	0.4
716.44775	10.5
717.43439	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	3.0
55.22848	0.4
56.04966	0.6
57.07012	1.2
60.08099	10.8
65.22302	0.5
67.05437	6.4
69.06973	2.5
71.07291	4.3
75.78635	0.5
79.05395	2.3
81.06967	4.6
83.08535	1.1
86.09629	51.3
87.09936	0.5
88.78627	0.5
89.05953	1.0
91.05405	0.7
92.10886	1.5
93.06967	2.8
95.08548	5.3
98.98396	5.3
104.10661	4.4
105.06976	0.7
107.08552	0.7
109.10101	1.2
121.10104	0.9
124.99966	34.5
143.01079	0.5
146.05302	0.5
147.76802	0.5
149.66708	0.5
184.07307	100.0
185.07587	0.9
194.57544	0.6
208.64452	0.6
306.27829	0.6
342.47482	0.5
600.50256	1.9
601.51428	4.2
716.48419	12.4
717.46942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91414	0.2
53.05304	0.2
54.81824	0.3
55.05436	0.4
56.04964	1.2
57.06990	0.3
58.32744	0.2
59.66483	0.2
60.08093	11.0
67.05424	1.3
69.06982	0.3
71.07290	4.4
81.06970	1.1
86.09628	54.6
87.09956	0.4
89.05948	0.4
91.05369	0.3
91.08110	0.2
93.06976	0.4
95.08530	1.1
98.98391	4.1
104.10669	3.3
105.61397	0.2
107.04913	0.2
107.08590	0.3
113.72536	0.2
124.99965	39.2
143.01041	1.0
184.07307	100.0
185.07648	1.2
282.27908	0.4
306.27991	0.5
345.85413	0.2
355.43661	0.3
517.09436	0.3
635.59949	0.3
716.48444	13.0
717.48206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	0.9
53.03864	1.2
55.01817	14.0
55.05455	5.1
55.88821	0.5
57.03100	1.0
57.03376	27.4
59.04919	1.3
60.85052	0.7
61.02571	0.7
61.02859	14.8
62.46930	0.6
64.90701	0.6
67.05416	1.0
68.42586	0.6
69.03353	58.6
69.06992	22.6
70.06502	1.4
71.01279	6.5
71.04894	2.5
73.02832	69.2
76.55659	0.7
79.05394	0.8
80.41763	0.6
81.03340	10.2
81.06966	1.6
83.01258	0.9
83.04884	1.2
84.04427	5.4
84.08054	1.4
85.02831	100.0
86.09617	1.3
87.04394	8.0
91.03880	3.7
93.06975	0.8
95.04887	1.0
95.08529	0.7
97.02827	85.9
98.03166	0.7
99.04391	5.2
101.02306	1.2
103.03892	4.9
103.05403	0.7
109.02843	9.5
111.04398	2.6
111.11614	4.9
115.03886	32.1
120.07224	0.8
120.08069	15.4
123.04395	1.1
127.03883	26.5
128.04237	0.8
129.10254	0.9
133.03934	1.4
133.04941	37.8
139.03902	1.2
143.03352	1.0
145.04942	26.9
157.04922	3.4
163.06006	8.2
166.08607	4.4
169.04945	1.4
181.16373	0.7
186.09193	1.0
211.05905	4.9
217.07091	2.7
223.05956	3.9
229.07021	4.2
241.06976	4.9
247.08101	4.1
259.08081	11.2
265.09174	10.0
270.65781	0.7
277.08957	1.1
295.10120	14.8
295.12955	2.6
325.11188	3.2
458.79135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42103	1.0
57.03376	1.2
60.08077	2.4
62.77437	1.1
67.05419	8.5
68.84391	1.1
69.06976	1.5
77.56682	1.0
77.76543	1.2
79.05417	4.6
81.06980	6.1
86.09637	10.9
91.05406	5.3
93.06977	2.5
95.08553	5.1
102.99939	1.0
105.06940	1.5
109.10107	1.6
119.08495	1.2
124.99950	5.8
128.45325	1.2
133.10164	1.2
182.92592	1.3
184.07275	18.3
333.20419	6.9
337.20636	2.8
351.21603	9.2
375.38269	1.3
389.22946	1.6
407.24011	7.2
495.23404	1.5
717.45306	100.0
718.46155	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08936	0.5
60.08097	9.1
67.05428	2.3
69.06985	0.6
70.04250	0.5
71.07295	4.1
79.05405	1.0
81.06974	1.3
85.77043	0.5
86.09632	50.2
91.05417	0.6
92.10880	1.1
95.08537	1.2
98.98396	2.8
104.10681	2.7
104.25906	0.5
109.10100	0.9
124.99969	34.3
143.00989	0.9
184.07312	100.0
185.07655	2.4
663.60516	0.6
718.53900	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	721.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04963	0.7
57.81632	0.3
57.98847	0.4
59.71212	0.3
60.08890	0.3
60.24266	0.4
61.67373	0.3
64.10239	0.4
70.06476	0.5
72.66567	0.3
79.05378	0.6
84.04424	33.1
89.95389	0.4
91.05424	0.6
91.17016	0.4
92.10873	1.3
103.05398	4.8
104.65128	0.5
107.04890	2.7
115.79347	0.4
120.08054	100.0
121.08382	3.4
130.04976	5.3
131.04906	5.2
149.05959	2.7
163.85789	0.4
166.08603	29.4
186.09090	8.2
232.09645	6.4
235.09593	0.4
242.10249	0.5
278.10141	3.9
283.08435	0.9
295.12827	28.4
296.13232	1.6
556.98053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70415	0.2
56.04968	1.0
70.06519	2.3
84.04426	26.8
84.08082	0.4
85.02840	0.2
85.04781	0.4
86.09610	0.4
91.05386	0.3
102.05466	1.3
110.07082	0.4
115.05393	0.8
117.05727	0.3
117.06923	0.9
118.06489	12.2
118.07313	0.5
127.03836	1.3
130.04967	6.1
130.06467	2.4
132.08049	7.3
142.06511	1.9
143.07285	1.2
144.04387	0.3
144.08057	13.1
144.09186	0.5
145.08456	0.3
146.05983	68.5
147.06306	1.9
158.05869	0.2
159.09142	15.2
160.07492	1.7
160.09517	0.4
170.05971	4.9
188.07027	100.0
189.07330	3.8
195.98289	0.2
201.00574	0.3
205.09686	17.7
206.10023	0.4
225.10175	11.2
271.10620	1.5
316.12949	0.3
317.11160	1.3
334.13901	35.3
335.14172	1.9
345.84555	0.2
439.66034	0.2
616.96326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84633	0.3
56.04966	0.8
60.08096	9.5
67.05428	0.7
71.07296	4.4
81.06941	0.4
86.09631	48.7
87.09972	0.5
87.75137	0.4
89.74924	0.4
93.07001	0.5
95.08524	0.5
98.98399	4.6
100.29227	0.4
104.10698	3.3
106.28405	0.4
106.47678	0.4
107.08583	0.4
124.99965	33.2
143.01070	0.5
146.96623	0.4
184.07309	100.0
185.07661	1.5
186.16302	0.4
398.11188	0.4
513.61987	0.4
533.37909	0.5
678.47156	0.5
722.45978	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	722.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04979	0.4
57.06998	0.6
58.06531	0.5
60.07826	0.5
60.08097	9.5
63.99805	0.4
67.05436	0.7
69.06978	0.4
71.07278	5.1
71.08533	0.6
79.05381	0.5
86.09628	51.0
88.47019	0.5
89.05923	0.4
92.63635	0.4
93.06946	0.4
95.08511	0.6
98.98394	4.2
104.10683	3.6
104.77578	0.4
108.80704	0.5
124.99960	35.7
143.01019	0.9
184.07304	100.0
185.07620	0.7
190.67113	0.4
217.28238	0.4
236.24933	0.5
259.16721	0.5
349.30344	0.5
722.46173	12.2
723.45435	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29535	0.3
51.33717	0.3
56.29338	0.4
68.65562	0.5
83.96272	0.4
123.35021	0.5
210.14223	0.6
265.24564	0.5
381.07867	100.0
382.08209	2.5
426.72476	0.6
457.61496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03870	3.3
55.01783	2.8
55.05450	26.5
57.03377	4.6
57.07009	8.6
60.05574	2.5
60.08082	3.2
67.05084	2.9
67.05427	66.8
69.06979	18.2
69.39548	1.9
71.07278	2.8
71.08556	4.6
74.09630	3.3
79.05407	45.7
81.03334	3.9
81.06973	60.1
83.04886	2.9
83.08517	8.0
85.00983	1.8
86.09630	33.9
87.09970	2.1
91.05402	42.6
92.10312	3.2
92.63356	2.3
93.06379	2.5
93.06969	56.4
95.04922	16.2
95.08532	47.8
98.98394	2.7
104.10641	2.4
105.06966	24.9
107.04926	2.8
107.08537	17.3
109.06437	2.8
109.10094	14.1
112.99955	16.7
117.06987	9.9
119.08536	17.7
121.10105	16.0
124.99960	16.9
131.08549	17.4
133.10106	8.2
134.98131	15.6
135.11641	7.9
136.05882	2.0
145.10120	7.2
146.98161	2.4
147.11699	7.7
149.13251	2.5
159.11588	3.5
169.02654	3.1
173.13223	3.8
174.84547	2.5
184.07304	60.5
185.07721	3.1
186.07709	2.1
219.17392	14.1
251.19888	1.9
256.91666	2.0
275.19998	8.9
277.21640	7.7
278.21616	2.3
306.27820	2.8
454.58942	1.9
593.44849	13.2
595.47058	24.5
611.46539	100.0
612.46472	11.6
629.47351	2.9
705.44049	16.2
723.44946	55.3
724.45514	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	727.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06495	0.2
54.82238	0.2
55.05443	0.3
57.03385	0.2
64.96352	0.2
65.76313	0.3
67.96378	0.2
68.54671	0.2
68.99744	0.2
69.03362	0.3
69.06985	0.2
70.06499	2.0
71.04921	0.5
72.08054	1.0
79.05428	0.3
81.03330	0.4
81.06992	0.5
84.04410	1.2
84.08082	1.9
85.02846	1.0
86.09618	1.7
91.05381	1.9
95.08530	0.4
97.02828	1.2
105.06976	1.0
107.04899	0.4
107.08562	0.4
109.10072	0.3
110.07111	1.2
119.04858	0.4
119.08521	0.5
120.08038	0.5
120.57079	0.3
124.99919	0.3
127.03865	0.4
129.07004	0.4
129.10191	1.2
133.02811	0.5
133.10072	0.5
136.07536	0.5
137.01341	0.4
137.02313	6.6
143.08542	0.6
145.02818	1.6
145.10037	0.3
149.02301	0.3
153.06961	0.4
157.06468	1.2
161.09596	1.6
171.07983	0.4
181.06505	1.9
184.07289	1.4
185.05948	0.3
185.07645	0.3
189.09000	0.4
199.07516	10.5
207.10243	0.4
220.76505	0.3
227.06992	5.4
237.05449	1.6
255.06462	100.0
256.06830	2.0
323.35709	0.3
329.12415	0.3
727.50940	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	7.0
56.05731	0.5
57.03373	1.2
57.07008	6.9
58.07350	0.5
60.08096	10.4
67.05424	30.9
68.05762	1.1
69.06985	5.9
71.07285	4.5
71.08548	4.7
72.03478	0.5
79.05410	7.1
80.05757	0.8
81.06971	20.3
82.07299	0.7
83.08549	4.1
85.06487	0.6
85.10094	2.3
86.09623	47.8
87.09950	0.5
88.95197	0.5
91.05400	5.5
92.10265	1.6
93.06980	6.2
95.04882	0.6
95.08527	14.0
96.08894	0.7
97.06469	0.7
97.10104	1.2
98.98389	5.6
104.10670	2.7
105.06952	2.2
107.08540	2.6
109.10107	13.7
110.10434	3.2
112.99943	2.7
119.08527	2.6
121.10079	2.0
123.11668	2.0
124.99958	32.9
133.10069	0.7
137.13231	0.6
143.00961	0.9
147.11629	0.7
149.13252	0.8
169.02626	0.6
173.11755	0.9
174.87970	0.6
184.07297	100.0
185.07597	1.1
211.82524	0.5
247.71797	0.6
247.74510	0.6
358.86945	0.6
373.41415	0.6
444.59503	0.7
467.37329	5.0
468.37585	15.4
598.48523	3.4
599.50110	21.0
600.49921	0.7
635.94775	0.6
728.44928	9.6
729.45068	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.5
54.81553	0.7
55.05448	6.0
56.04939	0.8
57.03370	1.1
57.06997	3.4
58.91367	0.6
60.08092	10.8
60.16464	0.6
63.73302	0.6
64.43999	0.6
65.03857	0.8
67.05076	1.1
67.05426	25.8
68.05775	1.1
68.70109	0.5
69.06988	5.9
71.07296	5.2
71.08549	0.7
79.05409	7.6
81.06971	18.6
83.08534	2.7
86.09628	56.0
88.18433	0.6
91.05399	4.2
92.10916	0.8
93.06966	7.5
95.04864	0.7
95.08534	14.5
97.10120	1.0
98.98405	5.0
104.10667	2.9
105.06950	3.1
107.04906	0.6
107.08538	4.1
109.10110	6.7
112.99951	4.6
118.89996	0.6
119.08556	1.5
121.10105	2.5
124.99963	31.0
131.08559	1.0
133.10138	1.3
135.11615	0.7
143.01027	1.1
161.13223	0.9
163.45700	0.6
169.02588	2.4
184.07304	100.0
185.07704	1.1
195.41692	0.6
263.56015	0.6
317.58090	0.7
317.64456	0.7
458.56125	0.7
467.37155	2.3
468.37329	3.8
523.83929	0.6
550.31659	0.6
598.48944	3.2
599.50128	27.4
600.50189	1.1
624.56738	0.8
728.33667	0.9
728.44940	18.3
729.45007	3.5
739.86615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	3.0
55.05451	24.9
55.37981	1.3
57.07011	54.1
60.08098	2.1
60.72281	1.5
65.03858	1.6
67.05428	38.1
68.05771	2.0
69.06995	21.9
71.08186	2.0
71.08548	37.7
73.06478	11.7
79.05410	12.5
81.06979	37.3
83.08530	12.9
85.10102	20.5
86.09632	18.7
87.04395	9.6
89.05396	3.6
89.05953	100.0
91.05415	8.2
91.51539	1.4
93.06973	16.7
95.08541	30.4
97.06484	1.5
97.10093	9.2
105.06996	3.5
107.07013	2.8
107.08518	8.6
109.10110	9.8
112.99963	12.3
114.37552	1.8
117.09075	3.2
119.08479	1.6
121.10094	7.6
122.99669	1.5
123.11648	3.2
124.99960	9.3
133.08556	28.5
133.10098	2.3
134.98103	1.8
135.11636	2.7
142.77878	1.5
169.02553	6.0
177.11113	16.6
184.07301	29.5
199.75027	1.7
234.09804	1.4
282.27789	6.7
299.29434	3.5
320.25656	7.7
343.31912	6.3
351.28021	1.5
362.33011	1.6
521.08929	1.7
600.50891	8.9
601.51569	54.7
602.52087	7.9
609.93085	1.6
618.45325	5.7
701.08606	2.0
713.53790	7.9
727.79028	1.8
730.55664	8.5
731.44794	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	731.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10913	1.0
55.01804	2.1
55.05447	11.2
57.03381	12.9
59.04931	2.0
60.61430	1.1
67.05427	16.3
67.47969	1.1
69.06970	8.8
71.01273	13.2
71.04911	54.5
73.02806	1.6
75.04395	9.4
79.05408	6.9
81.06979	25.4
83.04884	2.6
83.08528	6.2
85.02832	96.4
91.05392	6.0
93.06973	25.5
95.08531	58.4
97.10146	1.7
101.02316	28.8
105.06960	26.1
107.07872	2.1
107.08544	39.6
109.06496	1.6
109.10110	31.4
111.04408	3.3
111.08068	9.6
117.06941	2.1
119.08546	33.8
120.08809	1.4
121.10102	31.6
123.11671	13.6
124.02146	1.3
127.03883	74.6
129.05431	13.1
131.08549	9.5
133.10110	29.9
135.11658	17.5
137.09573	1.6
137.13258	2.5
143.08545	1.9
145.04935	31.6
145.10106	14.8
147.06517	3.3
147.11673	23.3
149.13255	15.6
157.10086	8.1
159.11664	19.1
161.13214	20.7
163.14806	9.9
171.11681	2.8
173.13220	11.7
175.14754	11.4
177.16310	12.3
185.13309	3.2
187.14793	8.6
189.16310	13.8
191.17915	5.6
193.15892	1.7
199.14761	2.3
201.16385	20.4
203.17905	17.2
205.15924	1.6
205.19434	2.0
207.17398	1.7
213.16402	6.0
215.17883	10.6
217.15887	1.8
217.19495	13.1
227.17912	7.4
229.19516	9.6
231.21098	1.7
241.19426	5.2
243.20967	2.2
255.20996	3.0
257.22571	2.2
269.22659	6.7
283.24124	1.5
295.24127	1.7
297.25797	1.4
365.31836	6.1
405.35010	11.8
423.36145	100.0
424.36401	7.9
441.36993	3.2
495.85754	1.4
541.06793	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49930	2.3
55.05445	19.6
57.07013	23.4
67.05428	49.8
69.06980	20.4
71.08534	17.2
78.80677	2.6
79.05408	29.7
81.06978	39.8
83.08556	6.1
85.10113	5.7
87.65244	2.7
91.05406	12.2
93.06950	31.4
95.08520	34.6
95.77326	2.9
105.06951	6.9
107.08549	16.8
109.10098	6.5
133.10048	3.3
134.98122	11.6
135.11642	4.8
317.24908	3.3
323.79977	3.2
391.11533	3.2
547.83698	3.8
573.48743	100.0
574.48840	4.9
602.51019	3.5
603.53186	4.0
609.12915	3.8
620.46887	6.9
621.48016	18.4
733.46820	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	735.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51371	0.7
53.25428	0.7
55.05457	1.6
60.08095	1.0
62.53688	0.8
67.05442	4.7
68.47265	0.8
69.06994	1.9
79.05415	4.2
81.06988	5.5
83.08547	1.1
84.04459	0.9
86.09624	7.9
91.05442	4.1
93.06998	1.4
95.08541	4.8
105.06974	2.0
107.08561	1.4
119.08551	1.4
121.10137	1.2
124.99989	4.3
131.08572	1.1
145.83858	0.9
161.69926	0.9
172.95227	1.2
184.07343	13.8
230.56870	1.1
242.85486	1.1
306.27969	4.9
333.20377	1.4
351.21292	18.9
407.23987	11.7
525.46246	1.2
551.53351	1.0
735.46423	100.0
736.46808	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	735.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91597	1.9
56.81176	2.3
66.70834	2.0
67.05415	5.2
70.06492	2.6
81.06956	4.4
84.08040	2.7
85.22284	2.2
86.09631	18.3
91.05406	3.4
95.08527	3.8
98.13567	2.2
104.10662	3.5
121.59680	2.9
124.99971	5.6
184.07292	20.8
184.08771	2.7
281.79120	2.7
351.21173	4.3
407.23999	2.7
540.27838	3.6
598.54657	2.7
735.46265	100.0
736.46045	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	736.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02073	1.2
53.00251	1.3
53.03886	2.4
55.05456	17.6
57.07008	3.0
64.95677	1.2
65.03812	1.4
67.05431	45.9
69.03340	1.4
69.06998	13.5
71.04910	2.8
72.58807	1.3
76.85005	1.2
77.95785	1.3
78.82214	1.2
79.05408	51.4
81.06975	41.0
83.04874	1.7
83.08536	7.1
91.05402	31.7
93.06970	52.3
95.04898	8.3
95.08534	28.4
97.10126	1.4
98.06010	1.9
105.04488	2.3
105.06985	20.9
107.08546	22.3
109.06494	1.8
109.10115	11.8
117.06958	7.0
118.87973	1.6
119.08537	14.4
120.28458	1.4
121.10078	15.0
131.08534	13.0
133.10086	7.0
134.98145	3.0
135.11620	6.7
145.10089	9.6
147.11618	2.7
149.13235	2.6
149.28430	1.4
173.13251	1.7
184.07185	2.3
304.26239	8.7
317.24634	2.3
335.25800	1.7
343.15652	1.5
350.70743	1.5
359.43170	1.7
595.47119	100.0
596.47351	9.5
624.50110	2.3
736.48071	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00228	3.0
53.03900	3.8
54.35071	3.1
54.44611	2.8
55.05456	18.0
57.07003	3.6
57.14455	2.7
58.06532	4.8
58.52542	2.8
59.04947	3.0
60.72324	2.5
67.05426	47.4
69.06982	20.3
72.99657	3.3
79.05408	51.7
81.06970	38.0
83.08524	5.4
91.05420	19.7
93.06975	48.7
95.04887	5.4
95.08521	37.3
105.06979	19.7
107.08544	14.2
109.10120	14.1
110.65760	3.2
119.08500	4.4
121.10103	16.4
123.67808	3.4
125.07465	3.8
133.10147	3.9
134.98143	14.4
135.11610	5.2
145.10065	5.2
175.34370	3.5
236.14975	6.6
280.31613	3.0
402.19580	3.1
595.47095	100.0
623.49335	12.9
624.50391	15.9
736.48920	6.8
736.60724	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	736.513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	4.7
53.03875	1.9
54.81543	2.5
55.03275	1.5
55.05450	33.1
57.03381	8.0
57.07014	62.1
58.06524	3.3
64.59721	1.9
65.03860	1.9
67.05427	82.7
68.05743	2.9
69.06995	27.4
71.04921	2.4
71.08544	43.8
79.05406	26.1
79.50608	1.7
81.03314	2.2
81.06977	63.2
82.07302	2.2
83.04893	4.2
83.08537	24.8
85.10101	21.4
86.09633	3.8
90.05488	3.3
91.05399	21.7
93.06970	31.5
95.04905	8.3
95.08530	52.2
97.06482	3.4
97.10094	10.6
97.65854	1.9
99.08008	8.5
100.01518	2.1
105.06982	16.2
106.80490	1.9
107.08537	21.7
109.10107	39.2
112.99982	37.6
117.06956	3.5
119.08543	12.1
121.06406	2.2
121.10101	4.6
123.11678	9.3
129.06917	2.6
131.08524	2.5
133.10085	8.6
134.98174	16.1
135.11624	3.7
151.11147	8.5
157.10129	2.5
163.11107	7.2
169.02628	13.4
177.12692	3.6
179.14157	2.1
184.07231	7.3
236.14877	12.2
277.21524	14.3
313.27307	8.4
315.38757	2.1
351.25504	2.3
407.25281	2.9
467.37244	44.5
507.40329	46.4
546.39233	2.1
571.47260	4.3
578.99908	2.5
589.48187	100.0
590.47949	11.3
607.48932	3.9
616.82684	2.3
623.49188	9.6
624.49652	12.4
625.50970	4.6
735.48334	3.2
736.48987	12.5
736.60461	7.7
737.50513	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	737.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23556	1.0
76.88410	1.2
88.33837	1.1
97.31092	1.1
104.20834	1.3
129.25639	1.2
151.61501	1.4
232.23068	1.3
286.21713	1.3
327.84918	1.3
381.07886	100.0
382.08249	2.9
395.09299	2.2
469.42068	1.6
685.44916	1.4
742.74463	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40176	2.4
55.05450	27.8
57.03377	21.4
57.07010	71.7
57.66553	2.6
63.11283	2.8
67.05433	75.7
69.06998	21.4
71.04924	3.2
71.08549	46.5
72.76910	2.6
75.54072	2.5
79.05421	39.1
81.03327	13.8
81.06982	87.7
83.04928	4.0
83.08533	27.2
85.06467	4.3
85.10081	21.0
86.09635	7.5
91.05426	22.7
93.06973	51.5
95.04901	14.6
95.08533	62.1
97.06475	14.4
97.10115	12.0
98.05975	3.4
98.98396	30.3
99.08027	19.9
105.06986	17.1
107.04882	14.1
107.08540	28.1
109.06490	7.3
109.10114	29.5
116.99398	3.1
117.06974	15.8
119.08543	15.3
121.06447	5.0
121.10100	7.3
123.08022	4.1
123.11632	5.8
127.07505	6.5
129.06949	3.3
131.08542	13.8
135.07994	5.0
135.11739	3.5
145.10091	5.8
147.07994	4.9
149.09659	3.9
149.13313	5.1
155.01028	17.2
157.10118	4.0
159.11658	3.8
171.11707	3.9
173.11702	4.1
184.07315	22.0
201.12761	3.2
265.55652	3.2
273.18457	7.3
291.19427	7.2
291.45786	3.2
304.26260	10.8
310.21448	3.3
311.15649	3.2
313.27194	5.3
362.12384	3.7
400.01651	3.2
467.37335	29.2
507.40411	100.0
545.42017	11.5
585.45032	28.8
603.46338	29.7
621.46930	13.1
737.48511	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	737.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	3.8
57.03370	9.3
62.85347	3.5
67.05428	7.2
67.69782	3.3
69.03349	22.3
69.06998	7.1
70.06505	8.9
70.90410	3.4
71.04906	53.6
73.02825	28.4
79.02692	3.8
79.05394	5.7
81.06964	30.4
83.04890	18.4
83.08565	4.1
85.02831	100.0
86.09628	23.9
87.34734	4.5
89.86530	3.9
91.05420	4.4
92.10213	3.8
93.06958	8.7
95.08521	55.3
97.02834	21.7
100.24834	4.0
105.06977	17.1
107.08540	29.4
109.10090	30.7
111.04377	7.9
111.08030	6.5
115.03858	16.4
119.08467	29.4
121.10102	35.9
123.11717	8.8
124.99934	15.2
129.05472	14.8
133.10103	23.5
135.11658	18.9
145.10143	8.5
147.06529	7.5
147.11652	8.0
149.13278	16.6
159.11690	7.6
161.13203	28.1
163.14803	5.4
171.69377	4.5
173.13188	6.5
175.14806	9.1
177.16338	9.5
184.07310	35.4
189.16341	9.8
201.16295	17.6
203.17950	18.7
213.16508	4.4
219.17372	5.3
229.19460	18.6
405.34995	6.6
423.36185	48.5
441.37140	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00239	0.7
53.03875	2.4
55.01803	0.8
55.05450	12.4
57.03377	2.0
57.06996	1.3
57.73621	0.5
65.03852	2.4
67.05427	45.0
69.06988	11.5
71.04921	0.5
75.30611	0.5
79.04961	1.0
79.05409	26.3
81.06972	41.0
83.04882	0.8
83.08529	4.6
89.86140	0.5
90.30676	0.6
91.05411	14.0
92.10941	0.5
93.06972	27.5
95.04862	3.6
95.08533	30.4
96.08800	0.6
97.06480	2.1
97.10088	0.8
105.06971	8.8
107.08537	13.3
107.09222	1.0
109.10104	7.8
111.08010	1.0
115.00087	0.6
117.06935	1.1
119.08553	6.1
120.96572	1.1
121.10065	8.5
123.11652	3.5
131.08502	2.8
133.10078	4.2
135.11679	4.1
145.10060	0.9
147.11659	3.5
155.64775	0.5
161.13228	0.8
164.00758	0.6
304.26385	0.9
306.27710	2.4
337.27179	1.0
489.41586	0.7
499.81592	0.7
597.48657	100.0
598.48865	11.2
612.77155	0.6
738.49646	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94305	2.2
53.03890	2.8
55.05445	10.9
57.07014	4.3
60.05554	3.1
67.05425	57.2
69.06989	17.3
69.79115	2.2
71.08511	2.3
79.05412	35.0
81.06976	46.9
83.08504	8.6
91.05402	25.2
93.06983	34.3
93.07543	3.8
95.04868	4.1
95.08531	35.7
98.05956	3.1
105.06953	13.9
107.08533	19.8
109.10078	10.8
117.06947	2.5
119.08516	10.8
119.39992	2.2
121.10080	12.6
131.08510	4.0
133.10014	3.1
134.32904	2.7
135.11644	5.2
142.46419	2.2
147.11699	3.6
149.13138	2.7
317.24634	4.0
597.48615	100.0
598.48730	4.3
626.83606	2.8
739.43390	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	738.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65111	0.4
53.07251	0.4
53.79783	0.4
55.01801	0.6
55.05214	0.8
55.05451	9.3
57.03377	0.8
57.06998	2.2
60.08070	0.6
62.06023	0.8
64.11692	0.4
65.03835	0.6
67.05077	0.7
67.05427	21.8
69.06988	11.0
78.74986	0.5
79.05399	7.7
80.30945	0.5
81.06973	18.9
83.08527	2.8
85.05198	3.0
86.06001	0.5
86.09621	5.2
91.05407	5.3
93.06972	6.2
95.04861	1.0
95.08532	15.0
97.10062	1.0
98.05980	18.8
105.06982	2.9
107.08524	3.4
109.10086	3.7
110.09600	0.6
112.07565	1.9
117.07018	0.7
119.08546	2.5
121.10083	2.1
123.11653	1.1
124.07581	0.8
124.11182	0.6
124.99941	2.2
131.08556	0.9
133.10049	0.8
135.11653	1.0
138.09059	0.9
140.10689	0.6
141.77802	0.5
147.11642	0.7
154.12190	0.8
168.13773	0.6
181.45601	0.5
182.15292	0.5
184.07286	7.7
194.15376	0.6
196.16913	0.6
243.57903	0.6
304.26303	29.5
305.26654	0.5
306.27850	100.0
307.28027	4.3
324.29050	0.6
335.25769	4.2
337.27393	3.9
455.77472	0.6
507.40253	0.6
553.36584	0.6
592.38715	0.7
625.50006	0.7
738.50812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01811	0.7
55.05449	12.9
57.03359	1.4
57.06992	2.0
67.05083	1.0
67.05428	27.6
69.06986	11.4
71.08524	0.7
79.05412	7.3
81.06970	25.2
83.08528	4.6
85.05211	4.1
86.05960	0.8
86.09641	1.0
91.05403	4.5
92.10300	1.0
93.06980	8.7
95.04935	0.8
95.08530	14.9
97.10120	1.3
98.05978	23.2
105.06967	1.8
107.08527	5.5
107.81897	0.8
109.10092	5.8
110.09634	1.4
112.07537	3.1
119.08533	1.8
121.10083	1.9
126.09085	0.8
131.08453	1.1
133.10088	1.4
134.98137	1.7
135.11681	2.0
140.10660	0.8
180.13791	1.1
184.07254	1.6
196.16809	0.9
200.29720	0.9
249.36659	0.8
249.54451	0.8
275.79129	0.8
304.26294	45.3
305.26660	1.3
306.27853	100.0
307.28162	4.3
335.25824	3.5
337.27295	4.1
625.51392	3.4
626.51538	1.8
730.32855	0.9
737.48395	3.7
738.49329	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	739.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04975	1.3
79.05407	0.3
84.04425	31.8
91.05400	0.8
93.06959	0.8
102.05470	0.8
103.05396	5.9
107.04895	2.4
120.08054	100.0
121.08405	1.8
130.04973	5.9
131.04880	4.7
136.07559	0.8
139.84169	0.2
149.05928	2.2
158.09650	0.2
159.34186	0.2
159.65620	0.2
166.08592	28.1
167.08945	0.6
181.09624	0.2
186.09108	7.7
187.09515	0.2
232.09644	5.1
278.10199	3.5
295.12823	28.8
296.13196	1.0
343.05997	0.2
445.13708	0.2
641.01294	0.2
680.23737	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	740.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04955	0.6
59.78921	0.3
60.08094	10.5
67.05419	1.3
71.07010	0.3
71.07294	4.3
79.05430	0.3
81.06960	0.7
86.09628	54.4
87.09966	0.4
92.10968	0.7
94.05743	0.3
95.04915	0.5
95.08529	0.6
98.98409	4.9
104.10686	3.6
116.55872	0.3
116.99448	0.4
118.98914	0.3
124.99965	39.0
143.01074	0.7
178.53329	0.3
184.07304	100.0
185.07631	1.4
205.99762	0.3
232.96252	0.4
306.28140	0.5
344.54007	0.3
383.14841	0.3
433.52817	0.3
740.48444	11.9
741.48395	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13085	0.3
53.62409	0.3
54.49651	0.3
54.81678	0.4
55.05444	0.6
56.04971	0.5
56.79803	0.3
60.08094	10.5
67.05412	1.6
67.22630	0.4
71.07289	4.6
81.06959	1.5
86.09625	53.1
87.09962	0.6
91.05419	0.5
93.06950	0.5
95.08524	0.6
98.98390	5.1
104.10675	3.7
119.38790	0.4
124.99959	36.1
143.01003	0.8
184.07300	100.0
185.07655	2.0
306.27875	0.6
487.87216	0.4
599.49725	0.5
675.87042	0.4
740.48590	11.9
741.48450	1.5
753.70807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	31.0
57.03384	3.1
57.07007	15.4
58.18540	2.3
60.08098	3.2
67.05422	84.6
69.06982	41.3
71.07290	5.2
71.08540	6.2
75.72128	3.2
79.05405	51.8
81.06970	95.7
83.08526	14.0
85.10137	2.9
86.09626	57.3
86.19382	3.1
89.81576	3.0
89.91650	3.1
90.33620	2.9
91.05394	26.3
91.05870	2.9
92.10175	7.4
93.06971	48.0
95.04903	7.1
95.08530	58.4
97.06452	5.7
97.10088	5.1
98.05973	18.6
105.06967	26.4
107.08513	30.0
109.10101	21.9
112.99952	17.7
119.08536	15.1
120.95688	2.9
121.10068	14.6
123.11668	3.6
124.99963	19.0
133.10094	14.5
135.11650	5.1
145.10117	7.2
146.98148	20.1
147.11688	5.6
159.11612	4.2
161.13188	3.7
184.07301	58.9
259.20395	4.8
304.26318	38.7
306.27893	7.5
308.29425	100.0
458.81790	4.1
519.90613	4.0
557.45367	33.2
593.45258	8.0
597.48419	15.5
599.50250	62.8
600.50360	4.2
628.45764	12.0
681.44690	22.3
740.52704	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	0.2
53.03886	0.7
55.01813	0.2
55.05472	0.1
57.03369	0.5
61.02853	0.2
64.33012	0.1
65.03868	2.4
67.05433	0.9
69.03354	2.0
70.06498	0.5
71.04901	0.6
73.02827	0.4
81.03343	2.5
81.03790	0.2
83.04896	0.5
85.02826	5.1
87.64597	0.1
89.03836	1.8
89.70097	0.1
91.05398	0.2
93.03342	3.3
93.06899	0.1
95.04897	0.2
97.02826	31.3
98.03148	0.4
99.04390	3.7
100.11179	0.5
102.02963	0.1
103.03882	4.5
104.94948	0.1
109.02840	2.7
110.03610	0.3
110.07098	0.1
111.04408	0.7
115.05383	0.2
117.03331	7.2
119.04857	0.1
121.02838	1.0
124.05145	0.2
125.02369	0.8
125.05994	0.1
127.03880	100.0
128.04210	1.5
128.06186	0.7
129.06970	2.8
129.65608	0.1
131.04871	0.2
134.03581	0.5
135.04401	0.9
136.07516	0.1
137.05951	0.2
139.03899	0.2
139.05359	0.4
141.06967	1.0
145.02829	23.5
145.04910	1.9
146.03136	0.5
149.02312	2.8
149.05972	2.5
150.06299	0.1
151.03883	0.8
157.06468	3.1
163.03883	0.2
163.06026	0.9
163.07343	0.1
167.03389	7.7
167.04848	1.0
168.03734	0.1
169.06441	0.9
174.06723	0.2
177.05441	26.3
178.05745	0.7
182.15323	0.4
183.04546	0.1
184.05215	0.2
185.05927	1.1
186.05411	0.2
187.05939	0.5
187.07518	0.5
188.08290	0.8
189.05435	0.5
189.09085	2.9
195.04384	0.2
197.06038	0.1
199.07472	2.1
200.04674	0.1
207.06511	0.5
213.05429	0.4
215.06953	0.4
217.08585	2.6
218.08711	0.1
227.07001	1.8
245.08040	2.7
248.15170	0.1
255.06458	0.2
257.33136	0.1
271.08041	0.5
273.07446	0.6
284.82437	0.1
289.08942	0.2
291.08575	5.4
292.08926	0.4
309.09735	0.9
332.08295	0.1
433.13324	3.2
501.48660	0.1
611.07074	0.1
636.20209	0.1
679.50317	0.5
680.50494	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	741.2231
Annotation	Kaempferol 3-isorhamninoside
Peak:m/z	Relative Intensity
51.75378	0.0
51.92713	0.0
53.00229	0.0
53.03883	0.1
55.01810	0.1
55.05447	0.6
56.04969	0.1
57.03374	2.2
57.23080	0.0
57.68470	0.0
58.99945	0.0
59.04930	0.1
59.56820	0.0
60.04472	0.0
61.02855	1.6
65.03864	0.1
66.16483	0.1
67.01797	0.1
67.05432	0.2
68.99715	0.3
69.03343	1.0
70.06132	0.1
70.06503	1.5
71.01262	0.3
71.04905	12.8
72.05235	0.1
72.08055	0.1
73.02826	1.2
75.04391	0.8
75.60721	0.0
76.22261	0.0
79.05401	0.1
81.03326	0.3
83.04896	3.1
83.05975	0.1
84.04421	0.9
84.08053	0.6
85.02823	15.1
86.03144	0.1
86.09626	0.3
87.04382	0.3
91.03872	0.7
91.05398	0.3
95.04880	0.4
96.04401	0.0
97.02811	1.0
97.06480	0.1
99.04379	0.6
101.05978	0.1
102.05468	0.3
105.03322	0.3
107.04888	0.4
109.02815	0.4
109.06422	0.1
109.10124	0.1
110.07091	0.4
111.00756	0.7
111.03665	0.1
111.04389	1.8
113.05949	0.1
115.03909	0.1
115.08622	0.1
117.05443	0.2
118.65966	0.1
119.04869	0.1
120.08067	0.3
121.02804	2.4
121.06483	0.0
123.04366	0.1
125.05917	0.1
127.03874	0.6
128.50565	0.1
129.05428	2.7
129.10184	0.2
133.02803	0.5
133.10074	0.1
135.04384	0.1
135.08017	0.1
136.07568	0.2
137.02298	0.7
137.05920	0.1
137.09598	0.1
139.03946	0.1
141.06926	0.1
145.02812	0.1
145.04918	0.2
145.06487	0.1
147.04382	0.5
147.06468	0.9
151.03893	0.1
153.01797	3.3
153.05434	0.4
157.05052	0.1
157.06441	0.3
161.05913	0.1
163.06030	0.3
165.01782	1.8
167.06929	0.1
171.04366	0.2
171.06464	0.1
175.03819	0.1
177.05441	0.2
183.02843	0.9
185.05875	0.4
197.05951	0.1
201.07500	0.1
203.06870	0.1
207.06468	0.1
213.05460	1.1
213.07407	0.1
229.05179	0.1
231.06396	0.6
239.09053	0.5
241.04904	0.8
243.06317	0.1
255.08652	0.1
258.05099	0.8
259.05966	0.5
263.05368	0.1
269.04208	0.2
273.09702	0.1
275.11139	0.1
287.05429	100.0
288.05750	4.5
293.12109	0.1
299.05399	0.1
329.06421	0.3
353.06323	0.1
397.08856	0.1
433.11105	0.2
449.10669	1.5
488.69205	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.8
54.05764	0.6
55.01806	2.5
55.05452	13.7
57.03370	2.9
57.07008	9.2
58.04207	0.5
67.05427	28.7
68.05770	1.0
69.06993	12.0
71.08546	5.9
79.05408	11.9
81.06973	21.0
82.07313	2.2
83.04905	0.7
83.08540	5.3
85.05193	0.8
85.10107	1.5
86.09631	2.5
91.05402	8.6
93.06975	11.7
95.04897	3.5
95.08530	17.2
96.08923	1.1
97.06464	1.2
97.10126	2.8
98.05984	5.5
105.06969	6.4
107.08583	4.9
109.10096	6.4
109.90321	0.7
111.08036	0.7
112.99994	3.7
117.07021	0.8
119.08550	2.9
121.10128	3.4
123.11655	1.5
125.24071	0.6
129.06999	0.7
131.08588	1.1
133.10120	3.2
134.98149	17.2
135.11679	2.7
146.98189	1.0
147.11745	1.2
169.02570	0.8
176.99330	0.8
184.07379	2.9
274.78183	0.6
305.21066	0.8
306.27850	24.4
307.28275	12.8
308.29211	0.9
335.22037	1.2
337.27292	8.7
338.27878	3.9
384.01028	0.6
391.24228	0.6
415.22122	1.3
447.24863	1.1
485.22726	1.5
489.35397	2.6
529.38818	0.7
557.46027	0.7
593.45844	0.9
598.49512	1.1
599.50336	4.0
601.34637	1.1
611.46417	13.3
612.46600	4.7
629.47363	81.2
630.47742	9.4
641.37915	0.8
647.48389	2.5
723.45343	10.0
724.45563	1.1
741.46582	100.0
742.47040	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95994	1.5
53.03875	4.5
55.01805	3.5
55.05457	16.3
57.03373	2.3
57.07001	3.7
61.02858	2.4
67.05431	27.5
69.03339	11.8
69.06992	21.3
70.06506	9.1
71.04890	1.8
72.08056	4.2
76.45865	1.6
79.05408	17.2
81.03328	14.8
81.06975	55.0
83.08529	8.9
84.08073	3.0
85.02825	30.3
85.06440	2.5
86.09617	9.3
87.00745	10.6
91.05394	17.5
93.06957	36.9
94.99517	1.9
95.04872	2.4
95.08531	100.0
97.02821	15.3
97.10114	4.5
99.04370	2.9
105.01804	7.5
105.05637	1.7
105.06975	39.7
107.08539	66.8
109.02818	16.9
109.10103	69.3
117.06960	4.5
119.08535	55.2
121.10101	54.1
123.11680	21.5
127.03865	14.8
131.08530	15.2
133.10091	34.4
135.11662	45.1
137.13240	19.2
143.08492	4.5
145.04950	3.6
145.10077	28.9
147.11670	35.0
149.13261	22.6
157.10133	7.4
159.02824	3.4
159.11661	31.7
161.13257	21.8
163.14766	12.2
167.39519	1.9
171.11638	9.7
173.13199	17.0
175.14767	19.7
177.16348	8.2
184.07318	8.5
185.13116	8.1
187.14754	17.2
189.16310	24.8
191.17915	60.7
199.14815	7.6
201.16412	13.5
203.17851	23.3
205.19441	4.3
207.17412	3.9
213.16376	4.1
215.17921	22.2
217.15674	2.5
217.19437	4.1
219.17451	4.6
227.17947	4.0
229.19553	3.5
231.17377	2.9
233.18942	21.6
241.19514	3.6
243.17355	2.6
259.24185	3.8
379.59549	2.1
395.37128	3.2
405.34937	11.8
423.36078	93.6
424.36407	3.6
441.37106	19.9
587.99561	2.2
671.40930	7.6
673.95313	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	1.0
56.04974	0.2
57.07000	0.2
58.06519	0.2
60.08096	8.9
67.05428	1.8
69.06979	1.1
70.00006	0.2
71.07285	4.4
79.05402	0.8
80.57915	0.2
81.06973	2.1
83.08524	0.2
86.09628	48.7
86.38803	0.2
87.09980	0.8
91.05384	0.3
92.04243	0.2
92.10223	0.4
93.06959	0.4
95.08530	0.8
98.04782	0.2
98.05971	0.4
98.98395	3.7
99.47889	0.2
104.10681	2.8
105.06933	0.2
109.10101	0.3
112.99988	0.2
116.99535	0.2
124.01778	0.2
124.99962	35.4
143.01007	0.8
154.46133	0.2
159.11674	0.2
166.02603	0.2
184.07310	100.0
185.07690	2.0
306.27902	1.6
307.28204	0.2
308.29370	3.3
337.27151	0.3
599.50012	2.0
742.53607	4.8
743.54077	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	0.5
53.03867	0.3
55.01805	2.1
55.05449	2.9
55.41932	0.2
56.04967	0.4
57.03364	0.5
57.07000	0.4
59.04921	0.3
59.46163	0.2
59.57577	0.3
59.95813	0.3
60.04474	0.3
67.05431	6.5
69.03348	5.0
69.06989	1.9
70.06508	5.4
71.04910	2.1
72.08054	0.5
73.02795	0.3
74.05991	0.3
79.05404	6.2
81.03335	0.5
81.06973	7.2
83.04897	3.1
84.04417	1.8
84.08077	3.9
85.02832	1.7
85.06454	1.8
86.09618	1.9
91.05409	5.4
93.06979	4.6
95.04896	5.3
95.08534	18.4
96.08849	0.4
97.02824	100.0
97.06454	3.1
98.03167	1.6
99.04375	4.9
102.05513	0.3
105.06281	0.3
105.06975	9.4
107.04893	9.0
107.08540	6.0
109.02822	0.5
109.06451	4.5
109.10108	15.5
110.07098	2.8
110.10460	0.3
111.04376	3.6
113.05941	2.3
115.03848	0.6
115.05419	0.6
117.06953	2.8
119.04896	0.6
119.08529	9.0
120.08045	0.5
121.06454	3.3
121.10107	1.8
122.33729	0.3
123.04391	1.1
123.08018	6.1
123.11687	0.3
125.05923	3.0
127.03873	0.5
128.06189	2.0
129.07025	2.5
129.10193	1.5
131.08543	2.4
133.06503	3.5
133.10101	5.1
134.10455	0.4
135.08012	4.9
135.11624	2.2
136.07562	0.6
137.05988	1.9
137.09593	24.3
137.13161	0.3
142.07811	0.5
143.07053	0.3
143.07330	0.4
143.08548	7.3
145.06471	1.5
145.10109	1.8
146.07242	1.7
147.08026	9.3
147.11674	1.7
149.05969	0.7
149.09601	9.9
149.10745	0.4
151.07539	2.7
155.08461	0.4
157.10139	0.5
158.07298	0.4
159.06589	1.0
159.08029	2.7
159.11664	1.6
160.08653	0.5
161.06024	1.9
161.09587	35.4
161.13255	1.7
162.09946	0.5
163.07491	2.2
163.11186	1.2
165.09079	21.8
165.12732	1.4
166.09465	0.4
169.08612	1.1
169.10088	1.3
171.08015	1.1
171.11646	1.5
173.05986	0.4
173.09622	1.1
174.06747	0.4
174.10310	0.6
175.07541	1.9
177.09029	0.5
179.08435	0.3
179.10579	2.9
183.07988	0.3
183.11694	1.3
185.09528	0.3
187.07521	0.7
187.11108	2.1
188.08249	0.6
189.09070	3.8
189.12729	3.9
193.10091	0.6
197.09644	1.0
197.11601	0.4
199.11073	0.5
201.09036	1.0
201.12659	0.4
203.07024	0.4
205.08629	0.3
205.12178	2.7
207.10153	13.2
207.13762	10.9
208.10501	0.4
211.11157	2.0
215.10648	2.7
225.09119	0.7
225.11142	4.9
229.12251	2.2
233.11671	2.3
239.10840	1.9
243.10159	0.7
257.11688	4.6
259.13251	0.4
261.11197	1.3
267.10049	0.6
271.05927	2.1
275.12723	8.1
280.92310	0.4
285.11072	2.6
293.13757	1.5
303.12216	5.3
321.13266	4.2
339.14349	1.4
357.15399	5.9
373.90308	0.3
492.17175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81245	1.0
53.00264	1.1
53.03877	1.5
53.23841	1.1
54.81311	1.4
55.01812	2.3
55.05447	11.8
57.03360	1.7
57.07002	6.6
65.31725	1.2
66.84545	1.2
67.05424	21.1
69.06985	14.7
71.01273	18.2
73.02839	5.6
73.43846	1.1
75.04387	3.5
77.43114	1.1
79.05392	11.0
79.60024	1.1
81.06976	38.4
83.08530	8.7
85.02821	35.1
86.09637	1.5
89.74583	1.1
91.05397	10.9
93.06967	35.2
95.01248	3.2
95.04860	2.5
95.08530	72.6
97.10093	6.0
101.02312	43.1
103.03894	1.8
105.06970	44.0
107.08533	50.5
108.21715	1.3
109.10103	53.7
111.08031	8.1
111.11632	1.9
113.02283	1.7
117.06962	2.8
119.08530	52.9
121.10094	38.3
123.11628	19.6
127.03869	100.0
131.08557	10.8
133.10089	40.1
135.11658	20.9
137.13246	2.9
141.01820	7.5
143.08505	9.8
145.04933	30.8
145.10115	23.6
147.11658	31.4
149.13223	18.6
157.10095	9.3
159.02846	13.5
159.11659	29.4
161.13225	23.9
163.14778	13.5
169.10168	1.9
171.11659	9.0
173.13216	19.4
175.14781	17.3
177.03902	6.3
177.16335	19.4
183.11632	1.9
184.07317	3.3
185.13271	8.0
187.14749	15.9
189.16328	21.8
191.17891	10.0
196.99512	1.7
197.13274	2.4
199.14816	9.8
201.16321	23.6
203.17926	24.3
205.15723	4.0
205.19484	3.4
213.16371	6.4
215.17912	14.3
217.19461	21.3
227.17914	8.3
229.19498	16.6
231.21022	2.0
241.19461	3.0
243.21014	9.9
253.19542	2.6
255.21045	6.8
257.22638	6.8
267.21091	2.1
269.22580	8.9
271.24289	1.5
278.75980	1.6
283.24344	1.6
295.24155	2.5
309.25659	1.6
311.27087	1.7
338.75507	1.5
365.31952	3.2
405.35068	26.4
406.35458	2.0
423.36124	41.3
424.36029	2.8
581.38214	35.1
599.39319	15.6
736.92297	1.8
763.42810	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	2.8
55.05436	11.5
57.03353	2.9
57.06994	2.6
60.82888	1.6
67.05421	22.0
69.06984	22.4
71.01272	19.4
73.02839	7.8
75.04375	3.0
79.05406	10.4
81.06974	42.2
83.08536	8.7
85.02827	32.1
86.09600	2.4
91.05405	12.7
93.06960	38.1
95.01280	3.5
95.08526	84.1
97.10099	2.3
98.51103	2.0
101.02312	44.6
103.03908	1.9
105.06966	39.2
107.08531	55.5
109.10097	52.0
111.08001	4.0
119.08523	58.7
121.10081	44.9
123.11642	18.4
127.03876	100.0
129.06956	2.9
131.08504	17.4
133.10095	48.1
135.11639	25.3
137.13185	4.7
141.01788	3.7
143.08551	7.7
145.04926	27.5
145.10077	25.5
147.11661	29.3
149.13239	22.3
157.10091	11.5
159.02888	15.3
159.11658	39.7
161.13202	24.5
163.14772	11.0
171.11653	13.6
173.13213	17.4
174.55928	2.4
175.14766	21.0
177.03877	2.4
177.16261	21.0
185.13274	3.9
187.14793	17.7
189.16330	15.9
191.17841	3.9
199.14807	4.7
201.16362	31.8
202.16583	2.5
203.17894	23.3
205.15860	2.9
207.17302	3.4
213.16319	5.1
215.17932	13.9
217.15979	2.2
217.19487	21.3
227.17903	4.8
229.19449	12.5
231.20879	2.9
241.19563	2.8
243.21004	8.6
255.20975	4.6
257.22556	8.8
269.22668	3.9
283.24100	3.3
295.24103	2.4
297.25562	2.2
298.31891	2.1
319.98288	2.2
320.64240	2.1
365.31738	3.7
405.35159	28.7
423.36096	39.8
581.38318	37.4
582.38409	2.4
599.38983	13.7
760.55182	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	743.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	1.2
53.03890	1.2
55.01809	2.9
55.05441	13.2
57.03372	2.3
57.07003	2.2
67.05418	19.7
69.06985	17.0
71.01263	17.7
71.16619	1.3
72.08056	1.3
73.02824	5.2
75.04382	2.7
76.55891	1.1
79.05388	13.2
81.06969	45.7
83.08533	8.4
85.02824	35.3
86.09614	2.1
91.05399	14.6
93.06971	35.7
95.01247	5.0
95.04860	1.8
95.08524	72.3
96.08845	1.6
97.10110	6.2
99.00777	1.6
101.02305	31.7
103.03878	2.6
105.06963	36.4
105.19598	1.2
107.08530	51.9
109.10092	49.4
111.08013	2.7
111.11665	1.4
117.06960	5.2
119.08530	54.0
121.10088	45.0
121.68378	1.1
123.11635	18.3
127.03864	100.0
128.04269	1.1
129.06992	1.2
131.03368	2.1
131.08521	12.1
133.10089	43.5
135.01363	1.1
135.11647	26.7
137.13239	2.9
139.11227	1.7
141.01804	5.0
143.08524	6.1
145.04947	23.9
145.10100	28.0
147.11644	30.0
149.13217	17.7
157.10039	10.0
158.10869	1.4
159.02867	13.6
159.11656	27.8
161.13229	24.5
163.14751	11.6
169.10098	1.6
171.11661	6.5
172.12373	1.6
173.13203	22.5
175.14781	15.3
177.03877	5.5
177.16328	16.5
183.11665	2.1
184.07358	2.7
185.13203	5.7
187.14795	14.7
189.16338	20.2
191.17899	7.5
197.13214	1.7
199.14734	6.0
201.16345	27.7
203.17914	24.7
205.15891	1.9
205.19496	2.2
213.16386	5.4
215.17909	12.9
217.15823	1.6
217.19441	13.2
225.16550	1.4
227.17900	7.0
229.19455	14.7
241.19443	6.3
243.21013	7.7
253.19453	1.6
255.21027	7.0
257.22433	5.0
269.22549	5.6
271.23969	1.3
281.22696	1.5
283.24100	1.8
295.24176	1.9
297.25671	2.6
351.18045	1.9
365.31863	5.6
405.35107	24.6
423.36118	33.7
424.36737	1.8
581.38086	34.3
582.38782	2.2
599.39294	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	744.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04959	2.0
67.84758	0.4
70.06146	0.5
70.06510	12.5
72.08049	0.7
83.06028	0.9
84.04429	30.1
84.08035	3.4
85.02814	0.9
85.04745	0.6
86.09614	2.6
86.91396	0.4
91.05418	0.7
94.78365	0.4
95.58632	0.5
99.04339	0.5
102.05476	1.1
103.25621	0.6
110.07101	3.8
115.05388	0.8
116.07045	1.0
117.72097	0.5
118.06482	11.4
120.08028	0.7
127.03858	2.0
129.10176	0.7
130.04974	3.9
130.06531	2.4
132.08069	5.4
138.29413	0.5
142.06497	2.7
143.07249	1.0
144.08070	12.2
146.05991	66.5
147.06305	2.8
159.09151	14.6
160.07474	0.6
160.09564	0.7
169.07846	0.4
170.05983	4.3
181.04985	0.6
188.07028	100.0
189.07350	4.1
205.09686	15.9
225.10168	11.4
271.10828	0.7
317.11292	1.9
334.13904	38.4
335.14301	2.7
379.47726	0.5
588.21063	0.6
646.20337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00228	1.0
54.81200	0.5
55.01819	0.5
55.05450	9.7
57.03361	2.4
57.07011	31.7
59.04936	4.4
61.65023	0.4
65.03831	0.8
67.05428	75.1
68.05743	0.6
69.06694	0.5
69.06989	7.2
71.04898	2.1
71.08546	20.9
79.05407	3.7
81.03316	2.1
81.06973	22.2
83.08533	9.7
85.06457	2.7
85.10110	9.9
86.09618	2.8
91.05415	5.4
93.06952	2.6
95.07961	1.0
95.08530	19.3
97.10105	2.7
98.98385	4.2
105.06946	0.7
107.08530	1.2
107.36729	0.5
109.02817	0.7
109.10104	58.1
110.10455	1.1
111.08035	2.2
111.11576	0.5
119.08500	3.9
120.25725	0.5
123.11636	2.4
124.99908	1.2
125.09675	0.6
137.09587	2.3
137.13193	0.7
155.00980	0.6
158.85641	0.5
165.83104	0.6
173.11707	6.8
173.24216	0.5
184.07375	3.6
211.13222	0.7
229.14429	1.1
255.72926	0.5
270.41705	0.6
299.14688	0.6
313.27234	3.7
467.37219	100.0
468.37540	13.1
471.16183	1.0
615.49884	0.7
709.38660	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	744.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	2.1
55.01812	3.2
55.05453	29.1
57.03365	4.0
57.07013	8.4
60.08082	4.0
60.77632	1.7
63.82272	1.7
67.05079	3.6
67.05428	91.8
69.06986	27.4
71.08540	2.6
79.05405	59.7
81.06975	89.7
82.86031	2.4
83.04916	1.8
83.08530	10.4
85.06477	2.2
86.09627	47.5
86.10112	3.7
88.47943	2.4
91.05392	34.9
93.06963	60.8
94.07302	2.1
95.04917	4.2
95.07959	3.2
95.08525	52.5
97.06456	3.7
97.10117	2.4
98.98415	2.3
105.06963	22.7
105.39463	2.3
107.08523	36.6
109.10084	16.1
111.08060	2.5
112.99954	30.5
117.06949	3.1
119.08548	17.5
121.10111	23.4
123.11629	9.6
124.99960	31.0
127.10788	1.9
131.08490	8.9
131.24442	2.1
133.10092	12.8
135.11641	12.4
143.00989	2.6
145.10112	4.2
147.11703	4.1
149.13258	3.6
159.11636	3.0
169.02550	10.3
173.13252	2.4
177.16113	2.6
184.07295	89.5
238.99260	2.1
243.21140	3.0
261.22131	4.2
303.84134	1.9
308.29080	3.4
317.24670	8.9
337.27359	16.7
374.27811	2.4
412.07953	2.2
440.41428	2.4
597.48602	100.0
598.48615	10.8
601.51447	9.4
744.54407	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	744.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81512	0.5
55.05449	1.0
55.51833	0.5
57.06995	0.6
60.08090	9.3
65.47524	0.5
67.05412	3.8
69.06982	0.7
71.07291	5.3
71.08543	0.5
76.85702	0.5
79.05402	2.4
81.06968	3.3
83.08501	0.6
86.09625	52.9
91.05379	0.5
93.06946	1.2
95.08485	1.9
97.10091	0.8
98.98405	4.5
104.10674	2.5
105.06944	0.5
107.08543	0.8
107.79778	0.5
113.86604	0.5
115.35078	0.5
121.10081	0.6
124.99960	38.5
131.08507	0.8
143.01009	0.8
184.07301	100.0
185.07599	1.2
200.25174	0.5
615.50134	0.6
633.44916	0.7
744.53833	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	745.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	3.0
55.05447	0.6
57.03368	1.8
60.61819	0.4
69.03355	4.9
70.06511	7.1
71.04904	1.7
71.11197	0.3
73.02830	3.5
73.99057	0.4
79.87115	0.4
81.03336	10.8
83.04906	0.7
84.04430	2.7
84.08064	3.9
85.02827	12.7
86.06010	0.4
86.09634	0.9
87.04406	0.6
95.04897	0.5
97.02824	8.7
99.04385	15.9
102.05485	0.7
103.03902	5.0
107.04802	0.6
109.02830	15.1
109.03531	0.8
110.07085	3.3
115.03885	0.7
120.08007	0.6
127.03874	100.0
128.04210	0.7
129.10190	0.6
136.07509	0.4
145.02849	0.6
145.04947	6.2
151.03870	4.2
163.05840	0.6
169.04961	0.7
177.05458	0.9
181.04933	0.5
187.05956	2.3
207.06400	0.6
253.07069	2.2
271.08054	4.5
289.09192	1.8
397.11490	0.6
404.04865	0.5
415.12350	1.8
649.77264	0.5
657.10669	0.5
660.46857	0.5
773.69061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	0.2
53.03882	0.8
54.81281	0.1
54.98328	0.2
55.01809	0.7
55.05447	0.2
57.03366	0.2
61.02851	0.2
67.05437	0.7
69.03352	2.5
70.06504	1.7
71.04902	0.6
73.02831	0.2
75.02477	0.2
79.05390	1.3
81.03342	2.4
81.06984	0.3
84.04410	0.3
84.08067	0.9
85.02824	5.4
86.09622	0.8
91.05398	2.4
92.10246	0.3
93.06969	0.3
95.04876	0.3
95.08539	0.3
97.02825	24.5
97.06448	0.3
98.03152	0.3
99.04385	3.8
103.03879	4.3
105.06973	1.7
107.04897	0.7
107.08530	5.0
109.02832	3.7
109.06471	0.8
110.07133	0.3
115.03920	0.6
115.05415	1.3
117.06981	2.0
119.04921	0.4
119.08581	0.7
120.08054	0.2
121.06470	0.3
125.05941	0.3
127.03877	100.0
128.04251	1.1
129.06946	0.3
129.10220	0.4
131.08537	0.3
133.06477	0.2
135.08022	16.1
136.07486	0.2
136.08383	0.4
137.05933	0.3
143.17096	0.2
145.04936	2.5
145.10101	0.2
147.08023	0.3
157.10109	0.9
161.05821	0.3
161.09595	0.2
163.06020	0.9
163.07527	2.6
173.09602	0.4
175.03844	0.3
175.07497	1.0
181.08554	2.5
185.09637	0.7
187.06012	0.6
202.66022	0.2
203.10674	0.8
207.06598	0.2
213.09033	0.3
215.10692	0.2
231.10110	2.6
233.11758	0.4
249.11159	0.4
255.06482	1.7
259.09567	0.9
271.08154	0.4
277.10638	1.1
289.09039	0.3
295.11792	0.3
313.12845	0.8
359.70926	0.2
367.09875	0.2
433.13297	3.8
434.13464	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	745.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	22.8
58.91501	4.7
67.05431	25.7
69.06992	25.6
71.01278	33.6
76.56464	4.5
79.05412	10.0
81.06988	52.4
83.08535	8.3
85.02830	33.5
86.09619	8.5
91.05398	7.4
92.61094	4.9
93.06969	42.6
95.08545	100.0
96.08841	5.3
97.10110	6.5
101.02335	55.0
105.06949	44.9
107.08544	63.1
109.10129	61.1
119.08537	57.3
121.10075	46.7
123.11653	23.6
124.99920	9.0
127.03822	6.8
133.10097	39.1
135.11629	44.6
141.01781	6.1
145.04944	29.3
145.10168	8.9
147.11671	27.2
149.13260	19.3
154.50475	4.6
157.10132	6.0
159.11707	11.9
161.13185	14.3
163.14806	6.8
175.14816	20.1
177.16354	11.7
184.07332	28.7
184.94937	4.9
187.14905	7.9
189.16373	53.8
191.17935	34.2
201.16397	6.8
203.17950	27.3
217.19479	22.6
229.19397	8.6
397.42642	5.4
407.36655	44.5
743.49603	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	746.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18033	0.4
55.05463	0.4
56.04959	0.6
60.08096	10.2
61.77749	0.3
67.05420	0.8
71.07287	5.4
79.05404	0.5
81.06971	1.7
83.08500	0.4
86.09630	47.8
87.09925	0.4
91.05370	0.4
95.08540	0.7
97.10101	0.5
98.98407	3.9
104.10665	3.9
124.99966	32.5
125.09595	0.4
128.96118	0.4
143.01085	0.9
149.02357	0.4
169.17561	0.4
175.33777	0.4
184.07309	100.0
185.07625	1.9
193.31783	0.4
207.42885	0.4
478.48334	0.4
612.25110	0.4
614.69147	0.5
746.45947	6.4
747.45282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64384	0.9
55.05438	4.2
57.07005	1.5
60.08090	10.4
67.05413	8.6
68.05733	1.6
71.07290	5.4
77.63569	1.0
79.05379	1.5
81.06972	4.2
83.08518	0.9
84.74062	0.9
86.09625	48.2
91.32298	1.0
95.08512	1.7
98.98414	4.3
104.10663	2.1
109.10087	5.1
120.99711	0.9
124.99958	35.8
159.57365	1.1
163.91374	1.1
175.35425	1.0
184.07300	100.0
185.07625	1.4
372.92303	1.2
467.37027	1.6
468.37497	4.1
469.37793	2.2
746.46381	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	746.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	0.8
57.01250	0.5
57.07008	1.0
60.08088	8.8
60.89558	0.5
63.14640	0.5
67.05421	3.8
69.06986	1.2
71.07285	4.3
71.07671	0.5
79.05413	3.4
81.06966	2.7
83.08534	1.2
86.09628	50.2
89.05965	0.7
91.05405	2.9
93.06961	3.1
94.07291	0.6
95.04353	0.6
95.08537	3.3
98.98396	4.5
104.10670	1.4
105.06957	0.6
107.08540	1.1
109.10114	0.7
121.10096	1.1
124.99962	32.6
134.98125	1.0
143.01082	0.7
184.07309	100.0
185.07619	1.1
342.16388	0.7
382.19788	0.6
532.52838	0.7
574.48810	1.1
577.60522	0.7
578.43677	0.7
617.44873	4.3
728.52124	6.5
729.43463	4.7
746.52594	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	748.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	2.9
55.78531	0.7
56.05322	0.7
57.03365	4.2
57.06741	1.2
57.07011	28.7
58.28695	0.7
58.49490	0.8
60.07873	0.7
60.08093	11.1
62.06015	19.8
67.05429	7.2
69.06983	4.4
71.07301	6.1
71.08547	15.7
74.99562	0.7
79.05370	1.2
81.06976	8.4
83.08533	5.7
85.10099	12.4
85.47241	0.9
86.09624	50.3
95.08537	11.6
97.10093	3.6
98.98401	10.2
99.11648	0.8
104.10683	3.5
109.10096	4.5
109.87631	0.8
111.57319	0.9
124.99960	36.8
130.81303	0.8
143.01001	1.1
155.00999	5.7
158.13742	0.9
184.07304	100.0
185.07722	0.9
202.96510	1.0
216.06250	1.7
237.68065	0.8
282.27856	11.1
313.27301	97.8
314.27582	3.7
393.23956	7.6
436.28156	24.3
454.29147	33.6
712.45325	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	748.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	3.4
55.01817	2.5
55.05458	25.3
57.03372	2.6
57.06776	3.7
57.07012	47.7
60.06887	2.4
62.06030	3.0
67.05076	4.1
67.05424	60.2
69.06977	19.2
71.08552	40.4
79.05408	25.5
81.03332	4.9
81.06965	39.4
83.08519	13.3
83.88545	2.7
85.10097	13.5
86.09615	11.9
91.05400	16.5
92.24844	3.5
93.06960	25.2
95.04887	5.6
95.08524	45.8
97.10073	6.2
98.98376	4.6
99.08049	3.4
105.06944	6.6
107.08547	14.5
109.10122	25.7
117.06930	4.5
119.08507	13.7
121.10113	3.8
123.11680	3.3
124.99963	7.4
131.08504	3.3
135.11714	4.5
163.11224	3.8
163.70714	3.0
179.14319	4.4
180.13730	4.5
184.07414	25.2
185.07489	5.1
277.21475	12.7
313.27408	4.2
328.13715	3.0
352.15164	3.6
467.37158	27.2
474.89642	3.2
491.40390	4.6
571.47040	3.7
589.39636	4.6
589.48181	100.0
590.48352	6.3
607.48804	5.4
618.45581	5.1
712.48022	5.9
730.44916	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	748.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00254	4.6
55.01821	4.0
55.05450	26.6
55.30492	3.1
57.07016	45.6
67.05434	64.9
69.06977	18.6
71.07312	3.6
71.08553	31.1
73.22334	3.3
75.85915	3.3
79.05418	25.4
81.06975	43.1
83.08537	16.0
85.10104	9.0
86.09641	39.9
91.05400	18.5
93.06990	27.8
95.04889	13.4
95.08554	33.0
97.10088	6.6
105.06985	14.2
107.08519	7.4
109.10094	26.7
119.08556	4.9
121.10049	4.7
123.11655	3.8
124.99994	33.7
134.98141	4.0
135.11638	3.7
151.11122	8.0
157.10133	5.0
184.07254	56.8
184.66400	5.4
185.07610	6.7
195.68935	4.2
196.13336	4.3
264.08115	3.6
267.17331	3.9
277.21500	17.3
282.27975	5.3
283.13251	4.1
313.27182	5.9
351.25497	4.0
410.16772	3.9
589.48297	100.0
590.48474	5.7
607.49023	6.6
618.45062	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	749.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	3.3
53.36596	2.3
54.81469	3.0
55.01814	2.5
55.05450	21.3
56.99747	2.9
57.03363	6.2
57.07005	13.0
60.02793	2.7
60.08102	7.0
61.02851	46.1
65.59361	3.3
67.05431	100.0
69.03354	53.0
69.06993	28.6
71.04921	5.4
73.02835	16.5
78.98737	3.0
79.05405	33.0
80.20226	3.3
81.03333	14.9
81.06978	92.5
83.04900	5.9
83.08527	17.3
85.02829	47.5
86.09631	54.8
91.03897	28.1
91.04369	3.1
91.05398	27.7
93.06974	36.4
95.04876	3.2
95.08533	66.2
97.02834	38.9
97.10081	12.1
105.06969	23.4
107.08547	16.8
109.02863	3.9
109.06435	3.3
109.10112	38.5
119.08539	22.0
119.92054	3.4
121.10106	7.6
123.07993	3.1
123.11643	12.5
124.99950	39.6
127.03911	22.6
131.08530	4.3
133.10097	17.6
135.11684	12.9
145.04964	12.5
145.10144	4.7
147.11671	14.1
149.13275	4.4
161.13240	5.5
163.06059	4.7
184.07312	97.3
185.07584	6.5
222.25046	3.2
227.01973	2.9
245.22414	4.2
263.23639	20.9
271.06073	25.6
272.06256	6.6
305.24734	4.9
347.25720	7.1
371.25867	6.7
397.65021	3.6
407.27740	6.4
425.28748	11.5
437.19150	6.4
762.34351	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	749.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48247	1.8
55.05441	9.1
55.70800	1.2
57.03361	1.4
57.07018	2.0
58.90474	1.8
60.08081	2.9
67.05087	2.0
67.05431	43.5
69.06980	8.1
79.05409	25.5
81.06972	36.2
83.08520	2.3
86.09631	19.7
91.05419	12.1
93.06981	26.4
95.04887	2.1
95.08545	22.4
98.98384	1.5
104.60841	1.4
105.06965	11.3
107.08527	9.0
109.10105	3.7
117.06979	2.8
119.08519	3.0
121.10120	6.3
123.11641	1.9
124.99954	13.4
131.08540	3.7
133.10152	1.8
134.98145	50.7
135.11601	3.0
143.61920	1.5
147.11665	1.8
169.02856	1.7
184.07320	37.1
190.13113	1.7
202.98560	1.6
329.15997	1.7
497.65244	1.7
597.48126	9.5
619.46857	100.0
620.47046	10.9
637.48029	25.2
731.46057	87.9
732.46027	7.4
749.46161	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	750.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24305	2.9
55.01799	19.2
55.05437	24.4
57.03361	25.0
57.07016	50.4
64.33404	4.5
67.05424	100.0
67.75504	3.2
69.06974	27.1
71.08554	27.6
72.38324	3.3
79.05403	52.9
81.03323	16.0
81.06966	72.9
82.39928	3.1
83.04883	32.3
83.08531	22.7
85.02811	4.3
85.06465	4.1
85.10103	13.7
86.09605	21.4
91.05392	34.9
91.54121	3.7
93.06960	56.7
94.26263	3.7
95.01231	5.5
95.04883	22.5
95.08512	43.1
97.06441	14.1
105.06958	14.1
107.04893	42.9
107.08565	32.8
109.10092	23.8
111.04383	45.7
111.08010	13.3
117.06943	23.8
119.08507	23.2
121.06400	3.8
121.10066	46.9
124.99962	6.4
130.07727	3.6
131.08507	19.3
135.11635	40.4
141.01750	5.3
145.06412	5.8
145.10109	50.9
147.08028	6.2
153.12662	17.4
155.08556	7.5
163.11121	55.4
173.09618	26.0
181.12155	16.6
184.07323	29.9
191.10643	28.3
209.11716	3.6
227.12744	18.5
249.88031	4.3
265.14243	63.4
283.15317	81.6
301.16376	64.1
313.27307	59.3
363.21384	4.1
370.41379	4.3
420.50195	4.3
459.18530	5.7
521.38074	42.8
539.39368	52.6
609.44714	13.8
630.61737	4.4
750.45624	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	751.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.5
55.01799	0.5
55.02059	0.1
57.03364	0.7
61.02848	0.2
65.03889	0.1
68.99696	0.7
69.03345	3.4
69.06990	0.2
70.06499	1.2
71.04901	0.2
72.08084	0.1
73.02835	0.4
81.03337	2.9
84.04411	0.2
84.08051	0.5
85.02822	4.5
85.51969	0.1
87.00763	1.2
89.72298	0.1
91.05402	0.6
94.06492	0.9
95.04893	0.2
97.02814	1.7
99.04364	0.9
103.03869	0.5
105.01805	0.6
109.02831	1.9
112.07555	0.2
119.04920	0.2
122.05968	2.8
123.04350	0.1
127.03849	3.0
129.01794	0.5
129.06985	0.2
129.10165	0.1
131.08546	0.2
133.02823	0.5
136.07549	0.2
137.02316	3.8
140.07030	3.7
144.04427	0.3
145.02808	0.9
145.04842	0.4
146.06003	1.0
149.02290	0.2
153.06969	0.5
157.06480	0.5
159.02843	0.3
162.05466	0.3
171.08020	0.2
172.03889	4.1
173.63640	0.1
174.05458	0.2
175.03856	0.2
177.05487	0.2
181.04951	0.2
181.06436	0.6
187.06001	0.2
190.04982	0.2
198.43390	0.1
199.05663	0.2
199.07498	5.8
200.07808	0.2
204.06522	8.1
206.08098	1.7
207.06477	0.2
209.05997	0.1
223.07547	0.2
226.06201	0.1
227.06969	3.0
237.05418	2.1
239.06964	0.6
244.49777	0.1
253.04945	0.3
255.06454	100.0
256.06799	3.6
271.10565	0.1
279.06479	1.1
291.06564	0.1
297.07535	2.3
321.07486	0.3
331.12775	0.2
345.14334	3.4
363.15375	0.7
405.54404	0.1
417.11615	1.5
459.12674	0.8
485.10342	0.6
503.11728	13.4
504.11642	0.8
665.16901	1.0
717.74652	0.1
733.14557	0.2
751.16803	2.8
784.71490	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	751.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44757	2.1
55.05444	13.0
57.03363	4.6
57.33448	2.1
66.81445	2.3
67.05422	30.1
69.03333	5.0
69.06986	26.1
69.66167	2.6
71.01271	4.2
73.02847	25.0
77.77241	2.9
79.05407	16.3
81.06981	48.2
83.08535	4.4
85.02804	16.9
86.09624	12.8
91.05423	4.6
92.10269	3.2
93.06979	33.4
95.01239	22.5
95.08527	100.0
97.02814	14.8
97.10075	4.1
99.00723	3.0
105.06953	13.5
107.08529	41.9
109.10094	73.1
111.08014	5.9
111.11627	6.4
115.03888	3.4
119.08524	23.6
121.10106	35.4
123.11651	21.5
124.99931	4.5
133.10086	20.3
135.11633	29.5
137.13187	5.7
141.01794	64.7
145.10069	6.6
145.34012	2.6
147.11639	10.4
149.13237	17.5
159.02803	3.8
159.11682	6.6
161.13196	18.3
163.14742	10.5
173.13197	3.4
175.14777	12.1
177.16414	6.2
184.07294	23.0
187.14702	5.3
189.16367	10.6
191.17935	4.3
193.15825	3.6
201.16443	11.7
203.17909	12.8
205.19489	11.8
215.17921	3.0
217.19525	6.3
219.17406	5.2
227.49899	3.7
229.19487	4.5
231.21027	24.0
243.20959	3.5
259.24219	6.6
285.47345	2.7
377.08511	3.1
407.36554	27.7
417.32385	3.2
425.37665	70.5
426.38034	4.3
438.86899	3.1
450.12756	2.8
583.39594	13.4
751.51990	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	752.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	11.9
55.05449	23.6
57.07012	33.2
57.77172	2.5
58.34903	2.4
67.04244	2.2
67.05418	14.7
69.06985	30.9
70.02864	14.5
71.08543	16.7
79.05421	10.1
81.06962	18.3
83.06015	4.6
83.08530	17.3
84.04419	18.8
85.10087	6.2
86.09630	26.5
90.05486	19.2
93.06971	6.2
95.08540	14.9
97.10125	4.4
98.02341	3.3
99.05505	11.5
107.08560	3.7
109.07581	5.9
109.10107	4.5
119.78457	2.6
121.30972	2.5
124.99956	11.2
126.05479	11.3
129.06546	6.1
129.26450	2.8
130.04979	13.0
135.05550	3.1
137.04198	3.4
141.06570	16.1
145.08881	5.6
149.05920	2.8
151.07504	19.1
153.06580	5.4
155.05258	3.9
155.08189	13.2
159.07608	48.1
161.05905	3.2
161.09666	3.1
164.07039	6.3
171.11713	3.6
173.08331	5.3
174.09056	6.0
175.09854	5.1
176.06998	39.3
177.03682	10.8
177.07713	3.3
178.06812	16.1
181.06018	5.5
182.06439	3.9
183.04747	24.6
184.07283	31.6
188.06973	28.4
188.10672	6.4
189.07581	5.0
189.09068	12.1
190.06972	7.3
190.08566	22.5
191.04970	4.8
192.04747	6.4
193.03174	30.7
194.06328	13.4
195.04700	13.9
203.10643	3.2
206.06334	47.0
207.04710	15.6
208.07808	25.8
209.06352	3.5
210.05812	100.0
212.10670	22.3
218.06189	9.9
220.07831	15.2
221.06265	21.3
222.05788	74.6
223.07945	5.0
224.07378	3.1
263.08600	3.3
319.87396	2.9
323.10489	33.2
327.09933	20.5
339.10037	4.9
370.58124	3.7
442.30881	12.0
444.32623	11.2
445.31372	15.3
454.35007	4.3
455.31793	3.2
456.32657	3.2
470.34363	59.1
471.34280	3.9
472.35843	18.0
488.35577	26.1
559.35034	6.8
587.38605	70.9
605.40149	29.1
611.46130	5.0
645.39539	10.8
716.41968	4.7
734.43744	24.1
752.49701	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	752.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81826	0.9
60.08094	9.3
61.56168	0.7
67.05416	0.9
71.07304	5.5
72.99223	0.7
79.05416	0.7
86.09625	53.3
98.98393	4.9
104.10705	1.6
124.99961	39.3
133.60968	0.8
156.17303	0.9
184.07303	100.0
185.07628	1.0
186.61954	0.7
192.91939	0.8
218.13290	0.8
353.89804	0.8
752.51361	4.8
753.52148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04961	0.8
60.08096	8.6
67.05441	0.8
71.07295	5.7
77.59802	0.4
81.06988	1.0
86.09629	55.7
86.12381	0.5
86.83168	0.5
87.10009	0.6
91.30857	0.6
98.98396	4.0
102.85488	0.5
104.10689	4.1
118.61192	0.6
124.99963	38.1
143.00998	0.8
160.59953	0.6
184.07303	100.0
185.07690	0.9
222.01535	0.7
226.96471	0.6
227.12778	0.8
250.98354	0.6
269.25125	0.5
395.47311	0.7
499.61575	0.6
752.52258	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	753.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15747	1.0
58.58304	0.9
67.05418	1.4
69.13196	0.8
70.06477	1.2
71.93977	1.0
84.08065	1.4
86.09624	5.5
88.59296	1.1
95.08565	1.1
104.10707	1.6
122.28638	1.2
122.68079	1.0
124.14777	1.1
124.99958	1.6
171.08720	1.0
172.13644	1.2
184.07280	5.3
294.45410	1.2
303.11929	5.2
339.24979	74.3
340.25214	1.5
437.19272	100.0
438.19550	5.8
636.23822	1.2
657.93628	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	0.6
53.03880	1.3
55.01816	0.7
55.05451	6.4
56.04991	0.3
57.03368	1.3
57.07009	1.7
59.04935	1.0
61.02853	0.5
67.05428	5.5
68.99713	0.4
69.02999	0.5
69.03348	6.9
69.06989	2.5
70.06507	3.0
71.04923	1.3
71.28643	0.3
72.08083	0.6
77.03803	0.3
79.05390	2.8
80.31996	0.3
81.03327	3.4
81.06974	9.1
81.26656	0.3
83.04900	7.9
83.08541	4.6
84.04430	0.6
84.08047	0.4
85.02826	4.8
85.06450	2.2
86.09645	1.9
87.00758	1.8
87.04395	1.8
91.05410	3.6
93.06967	4.5
93.32792	0.2
95.04897	6.2
95.08539	3.9
97.02828	100.0
97.06471	2.4
97.10107	0.4
98.03170	1.5
99.04391	1.7
103.05408	28.0
104.05819	0.4
105.01814	1.1
105.03362	0.4
105.06281	0.3
105.06982	6.5
106.84222	0.3
107.04945	0.3
107.08540	9.8
109.02830	3.6
109.06483	5.4
109.10114	18.4
109.10870	0.6
110.10468	0.3
111.04376	1.4
111.08018	1.8
113.05974	0.3
113.09531	0.3
115.03880	0.4
115.05429	2.1
119.08536	3.5
120.08048	0.5
121.06470	0.6
121.09316	0.5
121.10110	8.0
123.08017	2.6
123.11664	3.6
124.99912	0.3
125.09601	2.1
127.03860	2.8
127.11195	0.3
128.06195	6.6
129.01746	0.4
129.05424	1.4
129.06953	0.6
131.04903	85.6
131.08519	3.9
132.05215	1.9
133.10103	18.1
135.08047	2.3
135.11644	0.5
137.13226	1.2
139.03864	0.6
139.11215	0.4
141.06976	4.4
142.07771	0.3
143.08546	23.3
145.06470	0.5
145.10112	2.3
147.02940	0.3
147.11670	2.0
149.06024	0.4
149.09607	0.4
149.13257	4.2
151.03951	0.4
151.11183	5.5
152.06187	0.5
153.06984	8.1
153.08984	2.4
154.07687	0.5
155.08572	2.5
158.10869	1.9
163.14795	1.3
165.12752	2.9
167.14282	6.9
169.06409	2.4
171.08032	5.3
173.13222	6.7
178.34570	0.3
181.04982	0.5
181.06465	4.6
181.12135	0.4
184.07324	2.2
189.03909	1.5
191.14256	5.7
193.04756	0.3
199.05965	0.4
199.07518	7.0
200.07788	0.3
201.41267	0.3
209.06042	0.5
209.15343	27.9
210.15656	1.2
213.03941	0.3
216.21962	0.3
223.05885	0.4
227.06987	3.0
227.16420	0.4
241.06937	0.3
245.08049	20.4
246.08344	0.6
263.09125	5.3
279.08673	0.3
327.06927	0.6
345.08118	2.4
379.09790	0.4
475.12164	1.3
493.13217	2.4
511.14438	5.4
519.43988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00262	1.1
53.03896	1.5
54.45548	0.5
54.81678	0.7
55.05458	16.2
56.18866	0.5
57.03373	1.2
57.07006	4.2
60.08089	0.6
64.33350	0.7
65.03863	1.3
67.05431	55.9
69.06989	15.7
71.04901	1.4
71.07285	0.7
71.08541	1.5
72.93699	0.8
79.05415	31.9
81.06976	47.3
81.07455	1.7
82.07299	0.8
83.04894	2.9
83.08533	5.1
85.10127	0.8
86.09634	7.3
88.05038	0.7
91.05409	38.5
91.66491	0.7
92.05708	1.1
93.06975	27.8
93.14957	0.7
95.04906	6.0
95.08536	28.6
97.06462	1.6
97.10110	1.7
98.05965	1.0
98.98396	1.2
105.06983	33.3
107.08545	12.9
109.06499	1.0
109.10101	9.6
110.98769	0.7
111.08022	1.1
117.06956	10.2
119.08540	24.9
119.09342	1.4
121.10093	7.2
123.11661	3.5
124.99973	2.8
129.06952	3.2
131.08559	11.1
133.10106	13.2
135.08116	0.8
135.11676	3.0
137.13167	0.9
143.08519	3.7
145.10103	8.2
146.98167	2.7
147.11678	7.2
149.13257	0.9
157.10104	1.2
159.11697	3.5
161.13245	4.4
171.11737	1.3
173.13242	3.2
184.07327	8.7
187.14871	1.0
223.45218	0.7
241.19525	1.1
253.60063	0.8
259.20547	3.0
289.21204	0.7
302.24716	1.0
306.27847	1.6
315.23190	8.9
337.27414	1.4
571.43054	2.9
595.47137	100.0
596.47400	16.2
612.47083	0.9
613.47504	2.7
695.41833	3.6
715.48438	0.8
736.48993	1.0
748.48590	0.9
754.49255	5.1
755.45135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01816	1.6
55.05444	19.1
57.03368	2.3
57.07008	1.8
64.29312	1.3
65.03857	2.1
65.34053	1.6
67.05425	59.4
69.06993	18.1
71.08553	16.7
79.05405	37.8
81.06972	60.8
83.04906	2.8
83.08527	8.8
86.09618	6.7
91.05391	22.6
93.06971	38.7
95.04897	8.2
95.08530	44.3
97.06448	2.0
97.10082	2.3
98.98401	1.8
99.08003	8.2
105.06985	17.8
107.04865	2.2
107.08540	20.0
109.10085	11.9
111.08074	2.2
117.06951	3.8
119.08517	15.7
121.10081	11.0
123.11649	3.1
124.99898	3.7
126.02764	2.1
129.07004	1.8
131.08530	6.5
133.10066	10.2
135.11659	13.4
137.13322	1.9
147.11699	2.5
149.13263	3.5
151.11176	7.5
157.10115	1.7
159.11635	2.1
161.13199	6.9
163.14763	1.7
168.40004	1.5
179.14285	20.4
184.07304	8.3
189.12762	1.7
214.78891	1.6
215.13568	1.8
227.12744	1.7
259.20547	2.5
266.38745	1.5
277.21677	11.3
306.27795	3.6
320.25800	3.3
337.27261	3.6
452.31903	1.7
555.44000	3.3
595.47137	11.9
613.48163	100.0
614.48102	10.9
754.52466	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	754.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97320	0.2
56.04969	0.4
58.06524	0.3
60.08097	10.3
67.05425	0.2
71.07291	4.4
76.16389	0.2
86.09631	51.8
87.09967	0.4
98.11518	0.2
98.98401	4.6
104.10698	3.2
107.01759	0.2
124.99969	34.9
126.00317	0.2
143.01033	0.9
156.96350	0.2
184.07315	100.0
185.07622	1.0
749.37592	0.2
754.54449	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	755.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69945	0.6
56.04982	1.6
58.36415	0.5
84.04428	62.2
84.59456	0.6
85.02839	0.6
91.05406	12.2
95.04898	5.4
102.05466	1.2
103.05419	0.8
103.11094	0.6
107.04903	0.9
119.04895	29.5
119.05754	1.1
121.06462	1.3
123.04382	49.8
124.04700	0.8
130.04974	12.5
136.07555	100.0
137.05974	0.7
137.07930	1.5
147.04399	24.7
165.05443	75.0
166.05760	1.3
182.08096	48.8
183.08452	0.7
202.08620	15.3
211.34584	0.7
248.09140	7.9
265.76172	0.7
294.09732	6.7
311.12332	60.8
312.12512	2.6
633.46149	0.7
636.00983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67393	0.5
52.74922	0.5
53.00250	1.0
53.03880	2.7
53.04109	0.5
55.05455	14.7
57.03370	0.7
57.07009	4.9
60.08076	1.0
65.03857	2.5
67.05431	53.2
68.05758	0.5
69.06660	0.7
69.06992	14.4
71.04895	0.6
71.07312	0.6
71.08539	1.0
77.03824	0.6
79.05414	35.0
80.21479	0.5
81.06978	47.6
83.04906	0.7
83.08541	7.3
86.09621	7.9
91.05408	22.2
92.10899	1.3
93.06976	38.1
94.07281	0.9
95.04890	5.4
95.08534	31.1
97.06482	2.1
97.10094	2.8
98.05976	0.8
105.04443	1.1
105.06975	14.8
107.08547	13.7
109.06458	0.8
109.10101	9.1
117.06952	5.5
119.08549	8.3
121.10100	9.0
123.11647	2.5
124.01499	0.5
124.99996	5.0
131.08546	6.2
133.10120	5.8
135.11667	4.4
145.10127	4.9
146.89464	0.6
147.11652	3.1
149.13208	2.7
159.11667	1.4
161.13228	3.5
163.14815	0.7
173.13231	1.2
184.07306	13.6
187.14760	1.0
226.60948	0.7
242.90137	0.6
243.21068	0.8
261.18335	0.6
261.22076	1.3
304.26257	1.4
306.27777	4.2
317.24762	6.4
327.19385	0.7
335.25827	0.7
337.27274	2.4
365.00775	0.6
573.18738	0.7
597.48718	100.0
598.48926	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	756.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	1.3
53.03878	1.5
54.58212	0.9
55.01804	1.0
55.05452	14.2
57.03387	1.3
57.07016	3.9
60.08073	4.5
65.03848	1.6
67.05079	2.1
67.05427	52.7
69.06976	14.3
71.07296	1.6
71.08529	1.0
79.05406	36.2
81.06971	48.9
83.08542	5.0
86.09627	29.4
91.05403	22.5
93.06974	36.9
95.04888	5.0
95.07961	1.7
95.08532	33.0
97.06459	2.1
97.10049	1.1
98.98397	1.4
104.10669	1.3
105.06963	15.1
107.08531	16.3
109.10114	9.2
117.06940	4.8
119.08533	7.8
121.10092	7.4
123.08001	1.0
123.11651	4.5
124.99965	21.2
131.08504	6.5
133.10085	5.3
135.11653	6.8
145.10127	4.1
147.11700	4.1
149.13220	4.3
161.13251	2.0
163.14674	1.2
173.13150	1.2
175.14771	1.5
181.95053	0.9
184.07300	52.8
187.33911	1.0
228.16714	1.1
243.21043	1.2
245.48994	1.0
261.22168	1.9
306.27829	4.6
317.24643	5.3
337.27118	1.6
597.48651	100.0
598.49310	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	756.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05459	0.3
56.04956	0.4
56.42302	0.2
57.03381	0.2
57.07005	0.2
58.06544	0.4
60.08096	9.0
63.52798	0.2
67.05436	1.3
69.06991	0.3
69.28872	0.2
71.07285	4.1
76.56229	0.2
79.05415	0.7
81.06967	0.5
86.09630	49.1
87.09949	0.3
91.05418	0.4
93.06995	0.8
95.08524	1.0
98.98392	4.6
104.10694	3.2
105.06944	0.3
114.37156	0.3
124.93685	0.2
124.99966	34.7
133.10139	0.3
143.01024	0.9
153.81541	0.2
156.96321	0.4
165.98535	0.2
175.14999	0.2
184.07309	100.0
185.07620	1.4
248.56903	0.3
278.39914	0.2
306.27716	1.1
307.28110	1.2
308.28906	0.2
318.88266	0.2
320.25433	0.2
352.22281	0.2
469.36395	0.2
571.74658	0.2
577.20514	0.3
645.46051	0.3
738.39410	0.2
738.50482	3.8
739.51135	0.2
755.45990	0.2
756.43030	2.1
756.54706	2.3
757.44897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89396	0.2
55.05438	0.2
56.04975	0.4
56.20250	0.2
57.07012	0.4
58.06534	0.3
60.08098	9.4
66.19761	0.2
67.05423	0.3
69.06985	0.2
71.07294	4.6
79.05399	0.3
81.03810	0.2
81.06989	0.2
83.08511	0.2
86.09630	51.1
87.09959	0.2
91.05357	0.2
93.06985	0.4
95.08515	0.4
98.98394	4.7
104.10674	2.8
124.99966	35.1
127.65976	0.2
143.00983	0.8
162.01189	0.2
166.02518	0.2
184.07312	100.0
185.07660	1.2
257.76999	0.2
308.29327	1.3
430.79428	0.2
756.55963	4.0
757.55225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	0.4
56.04961	0.9
57.07018	0.2
58.06542	0.2
60.07788	0.3
60.08095	7.9
67.05426	0.9
69.06977	0.2
71.06934	0.2
71.07294	4.5
71.08572	0.2
79.05418	0.3
81.06982	1.0
84.74149	0.2
85.84965	0.2
86.09626	48.3
86.85719	0.2
87.09938	0.2
91.11785	0.2
93.06985	0.3
95.08509	0.2
98.98409	4.2
102.95689	0.2
104.10685	2.6
109.10114	0.2
124.99963	36.8
143.01039	0.3
166.02652	0.3
184.07306	100.0
185.07616	1.0
192.63608	0.2
215.09018	0.2
278.38239	0.2
308.29459	2.4
320.25751	0.4
719.47845	0.2
756.55640	5.2
774.26904	0.2
782.95050	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	757.2178
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.00253	0.1
53.03875	0.2
55.01817	0.1
55.05441	0.4
56.04966	0.2
57.03145	0.1
57.03377	2.0
58.02858	0.1
59.04919	0.1
60.91005	0.1
61.02853	0.8
65.03866	0.1
68.99709	0.4
69.03062	0.1
69.03353	1.9
70.06513	1.6
71.04909	9.3
72.08063	0.2
73.02811	0.6
75.04381	0.6
79.05399	0.1
81.03329	0.7
83.04903	1.3
84.04404	0.8
84.08053	0.7
85.02827	15.7
86.09598	0.2
87.04403	0.4
91.03870	0.2
91.05390	0.1
92.31591	0.1
95.04865	0.1
97.02827	2.3
99.04379	0.4
101.02322	0.1
103.03905	0.1
105.03314	0.2
108.20254	0.1
109.02808	0.6
110.07097	0.8
111.00768	0.8
111.04368	0.7
114.37234	0.1
115.08656	0.1
121.02818	2.1
127.03901	1.3
129.05431	1.9
129.10210	0.2
133.02798	0.4
136.07574	0.3
137.02306	0.7
145.02873	0.2
145.04933	0.6
147.04416	0.3
147.06512	0.9
151.03958	0.1
153.01805	2.8
157.06425	0.2
161.05908	0.1
163.05971	0.1
165.01799	1.8
177.05460	0.4
181.04951	0.2
183.02861	0.7
185.06024	0.2
197.80511	0.1
213.05391	1.1
231.06487	0.6
238.38750	0.1
241.04915	0.6
243.06618	0.1
255.06499	0.7
256.06799	0.1
258.05142	0.9
259.05948	0.3
287.05444	100.0
288.05768	4.7
337.38013	0.1
353.06607	0.2
449.10846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	14.5
57.03362	4.2
57.07012	3.9
60.08105	8.5
65.03889	1.2
67.05076	1.7
67.05431	41.3
68.05766	1.1
69.06653	1.3
69.06995	15.6
70.67941	0.8
71.07280	4.9
71.08546	1.6
74.30366	0.8
76.56261	0.9
78.00862	0.9
79.05412	24.0
80.28307	0.9
81.06979	39.7
83.08559	8.9
86.09633	54.1
86.53478	0.9
91.05402	12.8
93.06977	22.7
95.04889	5.3
95.08539	28.9
96.37541	1.0
97.10117	1.6
98.05972	2.2
98.98404	5.2
102.65166	1.1
104.10686	4.3
105.06982	7.9
107.08546	10.1
109.06425	1.4
109.10108	9.3
112.07620	1.6
112.99981	8.5
117.06977	1.3
119.08557	5.6
121.10119	7.1
123.11648	2.2
124.99974	36.2
131.08514	1.7
133.10114	4.2
135.11659	6.1
137.13234	1.6
145.10040	1.7
147.11650	2.2
149.13211	1.3
161.13211	2.2
164.54523	1.1
166.88678	1.1
167.16884	1.4
169.02603	5.8
178.98633	1.0
184.07321	100.0
185.07663	4.0
243.21065	1.9
263.23529	1.3
306.27847	16.3
307.28128	7.7
310.30795	1.6
317.24875	1.9
331.81604	1.1
337.27353	15.9
338.27670	1.9
597.48700	39.4
598.48743	6.1
599.49902	6.1
611.46326	1.4
615.48676	1.7
617.50830	5.9
626.10223	1.1
646.44519	1.7
758.42273	4.4
758.53278	8.7
759.50433	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00262	2.5
55.01803	4.4
55.05248	2.0
55.05450	28.6
56.04950	2.9
57.03356	3.4
57.07000	6.0
57.49940	2.1
60.08090	5.3
64.50972	2.0
67.05423	78.7
67.68612	2.6
69.06981	30.5
71.07279	3.3
71.08543	3.4
79.05403	40.1
81.06972	83.3
82.07334	2.7
83.04901	3.1
83.08531	13.9
86.09623	43.9
91.05397	25.1
92.10848	3.8
93.06970	48.4
95.04911	5.1
95.08536	59.1
97.10091	4.0
98.98385	2.9
99.08073	2.6
105.06955	21.0
107.08520	19.2
109.10094	22.2
112.82291	2.7
112.99968	15.3
118.08512	2.7
118.88522	2.9
119.08531	12.9
121.10076	14.2
123.11665	4.9
124.99948	32.8
128.28198	2.4
131.08542	3.1
132.98087	2.2
133.10071	5.8
135.11613	5.9
145.10045	4.2
147.11697	3.0
149.13245	2.9
169.02611	3.9
184.07307	100.0
185.07645	5.3
243.21262	2.9
263.23779	3.2
306.27817	27.6
307.28146	14.6
317.24762	2.6
337.27347	24.5
338.27579	4.5
347.20056	2.8
597.48694	64.7
598.49121	5.5
599.50226	20.2
617.51160	18.3
758.43884	10.5
758.56665	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	758.569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04974	0.6
58.06544	0.1
60.07788	0.3
60.08095	8.9
67.69955	0.1
71.07288	4.5
86.09627	46.6
87.09972	0.4
92.10103	0.2
98.98394	4.0
104.10688	2.9
108.99319	0.1
113.65658	0.2
124.99962	33.7
131.07622	0.1
137.01912	0.1
143.01031	0.6
153.46799	0.2
184.07307	100.0
185.07651	0.8
225.89807	0.2
285.79575	0.2
758.56848	6.7
759.56036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	0.2
56.04973	0.4
57.07007	0.2
58.06541	0.3
58.47327	0.2
60.08096	9.7
66.80388	0.1
67.05445	0.2
71.07289	4.8
81.06971	0.2
81.33845	0.2
86.09628	51.1
87.09959	0.8
89.38603	0.1
92.10237	0.4
98.98396	4.5
103.93189	0.2
104.10680	3.5
106.25390	0.2
124.99965	35.8
126.00243	0.2
143.01009	0.4
156.21819	0.1
156.90926	0.2
184.07309	100.0
185.07668	1.6
189.22290	0.2
496.33951	0.2
758.56958	5.9
759.57007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00205	1.2
55.01817	1.5
55.05449	25.9
57.03352	1.5
57.07011	26.3
59.04935	1.3
61.10520	0.8
62.75289	0.9
64.55257	0.9
67.05427	16.2
69.03324	1.6
69.06978	7.2
71.08547	15.4
73.72280	0.9
79.05397	6.9
81.06976	17.4
83.04897	1.9
83.08539	24.3
84.66792	1.2
85.10101	9.5
86.09623	8.8
92.63334	1.0
93.06977	2.5
95.08528	16.3
97.10101	38.5
98.98396	5.2
104.10677	2.1
105.06993	2.5
107.08528	10.9
109.10110	7.2
114.56030	1.2
124.99918	4.6
125.09578	28.0
135.08047	1.9
138.56415	1.0
143.10594	1.7
153.09099	1.3
184.07321	15.3
189.11156	10.5
198.96733	1.3
222.73088	1.0
227.12770	4.0
313.27298	2.0
316.54523	1.4
319.91843	1.0
335.65381	1.4
337.20505	2.3
427.38101	1.2
483.36725	100.0
484.37085	10.2
760.39258	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	760.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	2.6
53.03869	1.8
55.01810	2.2
55.05455	31.4
56.51637	1.6
57.03370	3.9
57.07002	8.2
60.08072	3.5
67.05427	99.7
67.19456	1.3
69.06982	23.8
71.04918	2.9
71.07293	6.7
71.08540	15.1
74.09631	1.8
77.87074	1.6
78.47414	1.4
79.05402	40.5
79.29671	1.3
81.03339	3.2
81.06970	76.0
83.04882	3.8
83.08540	12.0
85.06435	2.4
85.10107	2.2
86.09624	38.3
87.09946	2.9
91.05399	28.2
93.06972	37.3
95.04883	9.3
95.07956	3.2
95.08529	62.0
97.06464	6.8
97.10110	7.4
98.98406	3.0
99.08002	7.3
105.06970	18.1
107.08552	19.4
109.06452	1.9
109.10099	29.0
110.10445	1.7
112.99963	21.5
117.07020	1.8
119.08526	16.8
121.10105	12.5
123.11613	4.0
124.99965	25.0
125.09529	2.0
126.00340	2.3
128.69792	1.7
131.08470	3.4
133.10112	11.8
135.11668	8.4
145.10086	3.0
147.11662	7.1
149.13220	7.0
151.11139	6.2
161.13248	9.1
163.11142	3.2
163.14793	1.9
169.02597	8.8
179.14287	2.8
184.07303	57.3
185.07617	10.3
186.07689	4.0
277.21521	16.6
295.22595	2.0
351.25278	2.5
449.24911	1.7
491.37073	24.6
515.39703	1.9
531.40363	22.0
532.40564	2.3
577.43768	8.8
595.46649	2.4
613.48114	100.0
614.48297	9.7
631.48621	2.7
701.43610	14.6
747.55103	1.9
760.49487	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	761.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00263	0.8
55.01796	3.7
55.05457	10.9
57.03369	2.0
57.06995	3.5
66.21638	0.8
67.05428	17.9
69.03374	1.0
69.06992	16.2
69.34551	0.7
71.01274	19.3
71.08569	0.7
72.80798	0.7
73.02826	4.1
75.04385	4.2
79.05409	10.3
81.06503	1.4
81.06979	39.7
83.08535	7.8
85.02828	27.7
86.09617	3.7
87.95074	0.8
91.05409	9.9
93.06973	31.7
95.00669	1.4
95.01261	37.2
95.04918	1.5
95.08537	70.4
97.10091	4.5
99.00712	1.8
101.01631	1.2
101.02318	38.3
103.03868	3.4
105.06981	32.3
107.08543	47.0
108.08860	1.3
109.06491	1.2
109.10108	45.9
111.08020	8.6
111.11686	2.0
113.02303	3.6
115.05422	0.8
117.06955	4.0
119.08543	45.1
119.22205	0.7
120.08874	0.9
121.10105	36.3
123.08057	1.2
123.11666	19.0
125.00002	1.7
127.03882	100.0
128.04179	1.2
131.03375	1.7
131.08531	11.7
133.10106	31.0
135.11667	24.9
137.09648	1.1
137.13222	5.3
139.11110	1.5
141.01808	58.1
143.08517	4.1
144.09250	1.1
145.04947	29.6
145.10085	20.8
146.10333	0.9
147.11671	28.3
148.11948	0.9
149.13249	16.5
151.11024	0.8
151.14751	1.1
157.10081	7.4
159.02853	5.1
159.11670	24.7
160.12129	0.9
161.11967	1.4
161.13226	23.1
163.14809	12.1
165.12740	1.3
171.11665	6.7
172.12375	1.0
173.13214	15.9
175.14764	19.7
177.03839	1.2
177.16368	19.1
179.17860	1.1
183.11867	0.9
184.07318	8.6
185.13214	4.4
187.14825	14.4
189.16344	16.6
191.17929	9.7
193.15845	1.8
197.13251	1.0
199.14781	5.5
201.16362	32.4
203.17923	22.0
205.15837	4.1
205.19495	3.2
207.17369	1.9
211.14821	1.3
213.16333	5.9
215.17912	13.2
217.19479	14.1
219.17258	1.4
225.16339	1.3
227.17949	7.1
229.19466	11.0
231.21098	2.0
239.17737	1.1
241.19443	4.4
243.20999	4.8
255.21042	7.6
257.22534	5.3
259.20517	0.9
267.21008	1.7
269.22690	7.2
271.24091	1.2
281.22537	1.4
283.24011	3.8
295.23935	1.6
297.25607	1.3
309.25598	1.0
313.25092	1.6
365.31906	6.1
369.76605	1.0
405.35110	25.5
406.35440	1.3
423.36151	83.6
424.36359	8.1
581.37988	8.8
599.39178	5.0
637.31866	0.9
664.01196	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	5.2
55.05441	9.3
57.03386	2.1
57.07019	2.4
66.72804	1.2
67.05427	20.6
69.06996	19.4
71.01269	20.0
73.02834	2.1
75.04384	2.6
76.22131	1.2
79.05415	14.1
81.06980	43.0
83.08546	8.9
85.02831	32.8
86.09633	2.0
91.05415	10.4
92.10934	4.3
93.06974	36.0
95.01259	36.8
95.04889	1.1
95.08536	84.7
97.10115	5.1
98.98554	1.3
99.00762	1.8
99.04362	1.7
101.02321	41.8
103.03883	4.9
105.06983	41.3
107.08546	52.0
109.06419	2.0
109.09399	2.1
109.10112	51.6
111.08055	6.3
113.02328	5.1
117.07006	4.7
119.08539	46.7
120.08044	1.2
121.10099	41.1
123.11658	18.3
127.03883	100.0
131.03328	1.7
131.08556	12.1
133.10100	34.0
133.64989	1.2
135.11674	28.5
137.13245	2.9
139.11192	1.9
141.01816	59.7
142.07819	1.8
143.08554	6.2
145.04936	29.3
145.10094	26.1
147.11682	29.1
149.13252	23.0
151.11147	1.4
157.10114	7.3
159.02904	5.7
159.11673	26.6
161.13226	23.3
163.14807	13.3
171.11688	6.3
173.13239	19.6
175.14821	17.8
177.03940	1.8
177.16351	17.9
183.11714	1.6
184.07350	5.0
185.13185	3.0
187.14784	14.2
189.16345	17.7
191.17921	7.5
197.13307	1.6
199.14844	6.5
201.16368	32.7
201.53697	1.2
203.17929	26.9
205.15865	5.3
205.19487	2.6
207.17569	2.3
213.16362	5.7
215.17989	13.5
217.15997	1.5
217.19493	15.5
219.17400	3.0
227.17967	7.8
229.19484	11.1
231.21141	2.9
239.17894	2.6
241.19489	4.7
243.21025	5.0
245.18758	1.2
255.21104	9.7
257.22662	7.3
267.20859	1.5
269.22586	7.5
281.22665	1.9
283.24152	1.5
295.24097	2.1
309.25790	1.4
365.31876	6.4
405.35098	25.1
423.36166	92.8
424.36502	2.9
473.91095	1.4
581.38129	9.0
599.38837	2.5
648.95728	1.6
793.25568	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00250	0.8
53.03876	0.8
55.01809	2.4
55.05448	11.6
56.04968	2.3
57.03362	1.1
57.06997	2.4
59.04923	0.9
60.04453	0.9
67.05425	12.4
69.03341	8.8
69.06981	5.3
70.06510	8.6
71.04897	3.8
72.08071	0.5
79.05408	12.3
81.03326	0.6
81.06969	16.1
82.60899	0.5
83.04893	9.2
83.08528	7.4
84.04435	4.0
84.08063	7.3
85.02806	0.8
85.06473	4.7
86.09618	2.5
86.45247	0.4
87.04395	2.5
91.05406	11.5
93.06963	10.1
93.18700	0.5
95.04890	9.8
95.08532	7.9
97.02820	100.0
97.06449	7.2
97.10147	0.5
98.03167	1.2
99.04394	6.7
102.05495	0.7
105.06966	21.9
106.07310	1.0
107.04897	12.6
107.08532	16.7
108.05270	0.6
109.05740	0.8
109.06458	10.3
109.10100	37.0
110.07098	2.7
110.10421	0.9
111.04352	4.8
111.08017	2.4
113.05972	0.6
115.03831	0.7
115.05420	0.7
117.06956	4.0
119.04928	0.6
119.08529	12.9
120.08090	0.8
121.06438	2.7
121.10093	10.0
123.04395	1.0
123.08023	4.9
123.11652	5.3
125.05956	4.1
125.09600	2.9
125.85167	0.5
128.06177	3.4
129.06987	3.1
129.10214	3.8
130.05040	0.6
131.08531	8.6
133.06461	3.7
133.10092	31.9
134.10423	3.1
135.08003	8.1
135.11653	1.0
136.07518	2.2
137.05948	3.0
137.09587	29.5
138.09897	0.9
139.07487	0.7
143.08539	10.8
144.09074	0.6
145.06462	1.8
145.10100	6.8
146.07217	1.2
147.08020	11.3
147.11665	2.1
148.08368	0.9
149.09555	0.8
149.13223	5.9
151.07521	3.2
151.11160	8.1
153.09109	0.6
155.08246	0.6
157.10052	0.9
158.10876	2.9
159.06685	1.3
159.08028	2.5
159.11682	0.7
161.05966	2.9
161.09576	53.6
162.09895	4.4
163.07550	2.1
163.11125	1.1
165.09068	28.6
165.12701	5.7
166.09384	0.8
167.14285	8.3
169.08572	0.8
169.10077	1.0
171.07986	0.8
173.09523	1.9
173.13239	9.3
174.06812	0.7
175.07530	1.0
177.09113	0.6
179.10544	4.4
181.10068	0.7
183.11655	1.1
187.07530	1.0
187.11182	2.3
188.08423	0.6
189.09052	5.8
191.07010	0.5
191.14261	5.3
193.10071	1.1
199.11143	0.7
205.12187	3.3
207.10121	15.8
208.10474	2.0
209.15337	25.9
211.11180	2.0
215.10666	3.5
225.11122	5.6
229.12225	2.0
233.11583	1.9
235.17787	0.5
239.10666	1.9
257.11621	4.7
261.11157	0.8
271.05978	0.8
275.12747	7.0
285.11145	2.2
293.13751	2.3
303.12241	6.3
321.13376	5.3
329.12152	2.0
330.12943	0.6
339.14432	0.8
357.15451	5.1
455.93250	0.5
636.56116	0.5
768.50281	0.7
771.39893	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	1.5
53.03872	2.8
55.01812	2.7
55.05443	6.7
56.08544	1.4
57.03368	3.8
57.07009	3.6
61.02839	2.0
67.05429	16.0
69.03337	13.5
69.06986	6.5
70.06508	13.4
71.01266	1.8
71.04905	12.9
72.08064	2.4
73.02824	1.4
79.05409	36.5
81.03349	11.6
81.06976	18.8
83.04898	16.6
84.04424	3.3
84.08058	10.6
85.02830	27.9
85.06465	35.2
86.03149	1.9
86.09619	6.6
86.95184	1.6
89.74562	1.5
91.05404	20.7
93.06442	2.6
93.06976	52.8
95.04884	9.2
95.08513	10.7
97.02831	17.3
97.06453	6.6
99.04351	4.0
99.08026	1.7
101.02316	3.7
103.05383	2.3
105.06984	23.5
107.04891	15.5
107.08539	41.0
109.02822	8.6
109.06445	3.4
109.10110	7.8
110.07088	2.5
111.04375	7.2
117.06950	3.9
119.08527	21.1
121.06464	12.8
121.10107	12.9
123.07979	1.6
125.05955	11.5
127.03877	15.5
129.06981	2.5
129.10214	2.4
131.04887	6.0
131.08522	39.5
133.06436	3.3
133.10094	23.7
135.08006	9.5
135.11659	54.5
136.12009	1.8
136.15271	2.0
137.05937	2.0
137.09612	2.3
139.07491	3.8
141.01726	2.1
143.08530	1.7
144.30952	1.7
145.04936	1.9
145.10089	23.6
147.08041	6.8
147.11693	15.0
149.05939	2.4
149.09602	35.5
149.13255	21.6
151.07567	3.1
153.09019	1.5
155.08440	1.8
157.10059	1.8
159.11623	11.3
161.06013	1.7
161.09549	3.8
161.13205	2.7
163.07536	1.9
163.11163	12.1
163.14745	2.5
165.09061	2.8
167.07007	3.1
167.10606	15.5
173.09564	3.1
173.13210	2.9
175.11075	6.5
177.12730	26.6
191.10635	27.0
195.13753	17.7
201.12692	2.0
209.11681	30.6
211.92906	1.6
215.41165	1.8
227.12737	100.0
271.05994	2.2
285.14700	2.9
299.09128	3.0
299.12302	1.7
303.15787	6.8
321.16843	9.3
339.17941	15.5
355.17670	1.9
357.19281	2.5
455.34985	2.0
538.10925	1.6
565.29694	6.7
614.90186	2.1
786.62445	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04214	0.5
54.81354	0.6
55.05438	0.9
55.64427	0.6
57.06998	2.3
58.06546	0.6
60.08092	10.4
67.05437	5.0
68.66850	0.6
70.06480	0.6
71.07285	5.3
71.08543	0.8
79.05396	2.5
80.05775	0.7
81.04829	0.6
81.06952	3.6
83.08585	0.8
86.09625	51.3
87.09923	0.6
91.05390	1.3
93.06966	1.0
95.08537	3.2
98.98389	4.1
104.10645	4.2
109.10130	0.9
124.99025	1.1
124.99957	36.9
184.07298	100.0
185.07552	1.1
217.70764	0.7
273.83994	0.6
408.00186	0.7
520.33716	1.0
573.48407	0.8
631.65076	0.8
651.45612	3.5
745.42639	1.0
762.53168	7.3
763.44305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	1.4
55.05450	3.0
56.04964	0.3
57.03375	2.3
59.04904	0.4
61.02851	2.2
67.05423	1.2
69.03353	19.5
69.06992	3.2
70.06506	5.7
71.01258	0.4
71.04913	6.5
72.08063	1.6
73.02832	9.3
73.75475	0.3
79.05387	0.7
81.03339	33.0
81.06969	0.7
83.01249	0.3
83.04904	3.7
84.04425	1.6
84.08078	3.0
85.02829	46.5
86.09614	3.3
87.04406	2.2
89.44736	0.3
91.03891	0.6
91.05405	1.4
93.06941	1.2
95.04889	1.9
95.08542	0.5
96.70377	0.3
97.01875	0.4
97.02826	30.6
99.04388	52.7
101.02316	0.5
103.03880	26.8
105.06975	0.7
107.04919	0.5
107.08545	0.7
109.02831	54.9
109.06468	0.4
109.10101	0.5
110.03030	0.4
110.03671	0.5
110.07125	1.2
111.04405	1.4
112.56879	0.3
115.03893	2.5
117.06950	0.4
120.08060	1.6
121.02878	0.4
123.04330	0.5
125.02358	0.6
127.03879	100.0
128.04239	0.6
129.10199	0.7
133.10043	0.5
135.04372	0.4
135.07996	0.6
135.80020	0.3
136.07489	0.4
139.03961	0.4
140.07036	0.5
145.04939	18.8
146.05273	0.5
147.11624	0.4
151.03915	4.9
153.01804	0.3
157.04929	1.6
161.05965	0.5
163.06001	3.5
163.07207	0.4
165.05518	0.5
169.04971	3.5
181.04924	0.4
182.60181	0.3
187.06004	9.8
189.05522	0.6
191.07045	0.5
192.82928	0.4
193.04919	0.6
199.05911	0.6
205.05099	0.4
205.07045	2.1
207.06523	0.6
209.08052	0.7
211.06024	1.4
217.04918	0.3
229.07031	2.0
235.05980	1.8
244.33647	0.4
247.08084	0.4
253.06981	5.1
271.08078	14.2
272.08572	0.5
279.11060	0.3
289.09116	8.0
307.10187	1.6
313.09137	0.7
349.11346	0.6
379.10284	0.6
392.73419	0.3
397.11267	4.1
415.12207	9.8
433.13300	7.2
451.14371	3.3
543.24591	0.5
641.58441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81342	5.8
55.05448	24.4
57.07005	39.4
57.14027	5.4
67.05428	80.3
69.06976	27.2
70.01732	4.9
71.07288	10.4
71.08530	11.6
79.05411	34.2
81.06976	69.3
83.08546	12.8
86.09633	78.0
91.05439	8.1
93.06960	24.3
95.08528	56.3
97.10087	5.9
99.61079	5.5
102.09141	20.3
102.12762	9.2
107.08549	11.4
107.28914	6.1
109.10091	26.2
119.08531	8.2
135.11646	6.9
146.98158	60.8
160.01910	6.3
294.01764	7.1
313.63922	5.9
384.93713	8.4
417.84039	6.5
451.73380	6.2
575.50134	100.0
581.45251	46.0
705.44409	40.1
764.51953	69.3
795.69617	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	765.368
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27798	0.5
54.81823	0.6
55.01817	0.6
55.05452	4.0
56.04963	0.8
57.03384	0.8
57.06999	0.9
59.04927	0.7
62.89076	0.4
65.03867	0.4
67.05427	5.2
69.03352	9.9
69.06983	2.9
70.03677	0.6
70.06141	0.6
70.06507	13.9
71.04890	2.3
72.08073	2.2
73.02819	2.0
74.22661	0.4
79.05399	3.0
81.03331	5.8
81.06974	1.2
83.04436	0.9
83.04900	18.2
84.04440	2.9
84.08075	3.9
85.02353	0.6
85.02830	11.0
85.06472	1.2
86.03138	0.7
86.09639	4.6
87.04410	0.5
91.05396	6.5
93.06970	4.9
95.04897	3.4
95.08530	16.7
96.06103	0.5
97.02823	100.0
98.03151	2.3
99.04373	10.9
100.04774	0.8
101.07068	0.9
103.03889	5.4
104.25378	0.5
105.06968	8.0
107.04874	1.1
107.08533	29.0
109.02834	12.2
109.05812	0.5
109.06438	3.7
109.10117	1.0
110.03111	0.7
110.07117	2.5
111.04420	0.6
113.05948	1.1
115.03928	0.6
115.05444	0.6
117.06966	3.1
119.04837	0.6
119.08545	8.7
120.08057	2.5
121.06460	5.2
121.10124	3.7
123.07996	6.3
127.03876	19.8
127.07539	2.1
128.04218	2.8
129.10222	0.8
131.08551	2.8
133.06514	0.4
133.10083	4.4
135.08020	56.4
135.11635	1.8
136.07452	0.7
136.08418	1.0
137.05971	0.6
137.09627	0.8
140.19029	0.5
143.08543	1.0
145.04959	2.9
145.06465	2.5
145.10094	3.1
147.08029	4.1
147.11610	2.0
149.05940	1.2
149.09602	12.0
151.07491	0.7
157.10022	1.1
158.07188	0.6
159.08034	4.6
159.11673	7.4
161.09621	4.3
161.13237	3.3
163.06129	1.2
163.07489	16.4
163.11192	0.7
165.12749	0.6
171.11649	2.0
172.08812	0.9
173.05919	0.6
173.09532	0.9
173.13206	5.3
174.10382	0.9
177.12726	0.7
185.09552	0.7
185.13235	0.8
186.10428	2.2
187.06000	1.2
187.11172	7.9
189.09088	1.2
189.12666	4.8
191.07005	2.2
195.07837	0.5
201.12694	4.0
203.14326	3.1
203.53339	0.6
205.12234	6.0
207.06570	0.7
207.13785	9.5
219.13777	11.1
225.14885	0.6
227.10631	0.8
229.12222	5.5
247.13202	18.0
248.13478	0.8
259.09399	0.6
261.12314	0.6
265.14221	0.5
271.08054	2.6
289.09164	0.9
297.14816	0.8
315.15887	2.3
325.14420	4.4
343.15314	6.6
361.16382	7.1
379.17380	7.3
523.21997	0.8
732.30774	0.6
777.92212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	8.2
55.53224	1.6
57.03364	5.0
57.06999	4.2
57.90220	1.6
61.02871	2.1
64.75269	1.8
66.19508	1.6
67.05428	16.2
67.88062	2.0
69.03344	11.9
69.06985	17.9
70.86291	1.8
71.01283	2.5
72.08062	3.6
73.02821	23.4
79.05404	4.7
81.06979	35.6
82.17316	1.9
83.08530	3.2
84.08044	2.5
85.02837	22.9
86.09621	4.1
91.05354	14.6
93.06975	38.3
95.01259	33.9
95.08530	92.5
96.52912	1.9
97.02812	17.8
97.06461	11.4
97.10081	4.0
99.00728	2.9
103.03850	2.0
105.06971	28.2
105.82444	2.1
107.08533	47.7
109.06433	2.7
109.10105	33.5
111.07998	16.4
115.03877	9.0
117.06982	3.0
119.08533	47.1
121.10101	39.8
123.00709	2.6
123.11645	14.1
125.09590	3.5
126.96700	2.4
131.08521	14.0
133.10094	34.0
135.11676	29.4
136.12070	2.0
137.09639	2.1
139.11130	18.5
141.01801	81.1
141.02943	2.6
143.08583	7.9
145.10092	21.4
147.11673	23.9
149.13219	29.2
151.11237	3.3
155.08536	3.7
157.10110	11.2
159.02840	9.3
159.11653	30.0
161.13255	29.1
163.11145	4.5
163.14828	13.6
165.12708	3.8
166.36281	2.1
169.10062	2.1
171.11641	12.1
173.11957	2.4
173.13182	20.3
173.83357	2.2
175.01335	2.2
175.14774	22.9
177.12823	3.5
177.16354	14.0
177.97409	2.1
184.07361	4.6
185.13272	9.8
187.14807	21.4
189.16365	13.4
195.17430	2.9
196.52347	2.3
199.14827	11.8
201.16391	25.1
203.18021	10.3
205.15819	10.6
207.17386	3.5
213.16356	8.3
215.17958	18.1
219.17421	17.1
227.17770	14.6
241.19568	3.3
243.21236	2.7
245.18948	19.8
255.21065	4.5
257.18823	2.7
271.20313	3.2
273.21991	4.0
285.22012	3.8
299.23666	8.2
320.99316	2.5
381.31372	4.9
409.34525	4.6
421.34601	43.5
422.34808	3.8
439.35602	100.0
440.35907	10.6
506.67142	2.2
597.37683	14.5
720.27246	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	765.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42477	1.2
55.05444	9.0
57.07013	5.0
67.05424	19.5
69.06990	7.2
70.01918	1.1
70.82780	1.2
71.08545	1.9
76.95303	1.2
79.05409	9.5
81.03329	1.7
81.06975	13.3
83.08551	2.1
86.09646	2.0
91.05426	6.0
92.10258	3.3
93.06989	8.3
95.08517	9.1
101.63034	1.2
105.07001	2.6
107.08566	1.3
109.02682	1.2
109.06534	1.5
109.10109	2.9
121.10086	1.4
134.98145	13.6
184.07323	9.7
253.19225	1.4
260.76309	1.3
340.06509	1.5
404.94229	1.3
509.27597	1.3
557.33685	1.6
576.50690	2.0
635.46692	8.5
653.47394	100.0
654.47632	6.5
747.45483	7.6
765.46613	69.3
766.46472	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	765.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	1.1
55.05442	7.6
57.07010	2.2
60.05577	0.9
67.05431	20.3
69.06988	4.2
79.05409	8.0
81.06978	15.8
83.04919	1.0
84.87481	0.9
86.09639	5.1
91.05434	6.4
93.06977	7.7
94.38509	1.0
95.04923	2.3
95.08523	10.2
105.06995	1.9
107.08562	2.6
109.10145	4.6
119.08585	1.7
125.00004	2.0
133.10115	2.0
134.98146	12.9
161.13312	1.0
184.07370	7.8
193.45300	1.0
235.18150	1.0
378.46823	1.1
553.38409	1.4
625.34216	1.8
635.46509	6.3
653.47437	100.0
654.48022	10.7
747.46057	2.6
765.46619	85.7
766.47119	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	766.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04980	0.6
66.48620	0.2
69.03378	0.2
70.06516	2.0
81.03342	0.5
84.04433	23.4
84.08067	0.5
85.02832	0.4
86.09646	0.4
91.05423	0.4
97.02831	0.5
99.04344	0.6
100.75455	0.2
102.05483	1.1
103.03886	0.5
104.72021	0.2
110.07126	0.6
115.05445	0.4
117.06960	0.5
118.06496	12.6
127.03884	16.0
129.10202	0.3
129.73013	0.3
130.04973	5.9
130.06439	1.8
132.08055	6.1
140.85086	0.3
142.06494	1.7
143.07275	1.2
144.08070	13.1
146.05992	67.6
147.06310	1.1
159.09151	13.1
160.07564	1.2
170.05971	4.5
188.07037	100.0
189.07384	2.4
201.00533	0.4
205.09695	14.1
225.07970	0.5
225.10193	11.2
226.10428	0.3
271.10535	0.6
316.12775	0.3
317.11267	1.6
332.91760	0.3
334.13919	32.9
335.14249	1.2
443.78366	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	3.3
55.05452	31.3
57.03362	4.5
57.07013	72.4
58.74364	1.9
67.05083	4.1
67.05427	100.0
69.06995	29.8
71.04910	3.6
71.08546	49.4
76.89548	2.0
79.05412	38.5
81.03342	4.4
81.06514	3.8
81.06975	89.1
83.04882	5.4
83.08540	30.0
85.06458	3.7
85.10097	20.3
86.09616	9.6
91.05406	29.6
91.05911	3.5
93.06976	35.3
94.07339	2.3
95.04884	10.3
95.08523	60.7
97.06454	8.8
97.10081	11.5
98.98380	8.6
99.08033	5.1
105.06958	14.6
107.08530	21.5
109.06499	3.8
109.10094	51.9
111.08003	3.8
113.09555	2.7
117.06988	4.0
119.08526	9.8
121.10062	9.1
123.11636	4.8
124.99945	4.3
125.09550	5.3
131.08549	2.7
133.10080	5.2
135.11697	2.9
147.11703	4.8
149.13228	4.0
151.11140	3.5
155.01025	4.1
159.11609	2.9
163.11131	3.0
173.11739	2.7
184.07283	16.4
193.85980	2.3
196.13292	5.1
239.23566	3.1
277.21484	12.5
282.27893	3.7
313.27301	14.7
318.21274	2.8
334.52423	2.5
351.25162	3.3
467.37299	46.0
468.37494	3.2
491.40567	3.0
496.20276	2.3
507.40414	73.4
508.40848	3.2
536.43976	2.8
571.46954	5.2
589.48175	71.5
590.38031	9.9
590.48352	11.4
607.49048	50.2
608.38806	2.8
608.48682	4.7
630.41351	21.2
730.49786	3.0
782.29248	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	766.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04971	0.6
60.08093	8.8
67.05430	1.0
71.07281	6.5
81.06970	1.1
86.09623	54.5
92.86259	0.5
95.08475	0.5
98.98392	4.9
103.03141	0.5
104.10675	4.8
108.39256	0.4
121.40946	0.6
124.99963	36.2
141.50890	0.5
142.55713	0.5
184.07298	100.0
185.07700	0.6
349.34488	0.5
416.96024	0.6
766.54102	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81424	0.8
55.05453	0.8
56.04945	0.8
57.06991	1.4
58.06530	0.8
60.08090	9.2
60.83863	0.7
61.02418	0.7
67.05428	1.1
67.44016	0.7
68.27640	0.7
69.48650	0.7
71.07284	5.2
79.05401	0.9
81.06979	4.4
86.09624	43.8
92.10318	1.4
95.08522	1.4
98.98388	4.6
104.10692	3.4
108.98124	0.8
124.99965	29.9
125.00840	1.7
132.54727	0.8
143.01028	0.9
146.98152	3.3
184.07294	100.0
202.52350	0.8
242.53867	1.0
583.47052	1.2
707.45520	1.2
766.55457	15.2
767.54883	1.3
785.61688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	4.4
55.05454	10.8
57.03374	7.6
57.07005	4.8
61.02866	3.3
65.03877	0.8
67.05433	24.8
68.65503	0.8
69.03362	12.4
69.06991	18.4
71.01257	4.6
73.02839	31.2
77.19234	0.7
79.05419	13.0
81.06981	48.5
83.01263	1.4
83.08546	10.3
85.02833	27.9
85.06426	0.9
87.04398	0.8
91.05412	10.8
93.06976	36.8
95.00671	1.6
95.01266	40.7
95.04878	1.6
95.08537	100.0
96.08864	1.6
97.02831	18.1
97.10078	4.7
99.00747	4.4
99.08033	1.2
99.97213	1.0
101.02299	1.2
103.03875	5.5
105.06983	34.0
107.08542	66.8
109.06448	1.2
109.10112	64.4
110.10434	1.0
111.08035	18.2
111.11671	1.7
113.02314	5.5
115.03898	6.8
115.81113	0.9
117.06979	2.0
119.06014	1.0
119.08536	49.2
120.08862	1.1
121.10102	53.9
122.10440	1.7
123.00742	2.1
123.08008	1.8
123.11662	23.8
125.09588	4.2
126.75988	1.0
127.03841	0.9
131.03392	1.8
131.08517	14.5
133.04919	4.3
133.10100	44.3
135.10646	1.3
135.11667	34.9
137.13231	8.8
139.11157	6.8
141.01811	96.9
143.08521	4.1
145.10114	22.0
147.11670	33.9
149.13231	27.5
151.11136	1.5
153.12563	1.0
157.04991	1.2
157.10089	4.4
159.02849	9.8
159.11671	30.0
161.13231	34.2
163.11211	1.0
163.14790	28.5
165.12677	1.9
169.95941	1.0
171.11659	5.2
173.13226	17.6
174.13866	0.9
175.14793	27.2
177.03922	1.7
177.16348	20.2
183.11693	1.0
185.13127	3.5
187.14812	14.4
189.16348	25.3
189.18068	1.2
191.14305	1.3
191.17883	8.3
193.15842	5.5
195.17415	5.0
199.14810	7.1
201.16348	20.1
203.17932	36.3
204.18207	1.7
205.15836	5.8
205.19449	2.1
207.17406	7.6
213.16328	4.9
215.17902	18.6
217.19495	17.8
219.04865	1.1
219.17397	12.0
221.18970	10.1
227.17917	7.5
229.19472	25.4
231.17400	1.7
231.21095	1.8
233.19054	7.2
241.19438	3.6
243.20914	7.8
245.18953	4.3
247.20534	11.7
253.19508	2.8
255.20976	4.2
257.22626	5.6
261.22144	4.0
267.20984	1.7
269.22571	5.6
271.24008	1.8
273.06253	1.1
273.21973	1.0
275.23721	1.9
283.24106	2.0
287.23657	3.6
295.24149	1.1
297.25647	1.8
301.25269	1.5
313.24982	0.9
315.26862	3.0
329.28186	1.8
365.31934	4.0
376.32684	1.0
383.32846	4.7
402.45645	1.0
405.35077	12.5
411.36044	1.5
423.36157	82.6
424.36441	8.2
441.37225	76.9
441.42465	1.3
442.37411	8.4
475.23959	1.1
581.37830	1.5
599.39282	15.2
600.39911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35718	1.0
55.05450	10.9
57.03358	6.2
57.07014	1.9
61.02839	2.0
61.17903	1.1
62.01775	1.1
67.05121	1.4
67.05428	23.4
69.03347	11.8
69.06979	17.0
70.06495	2.1
71.01242	5.0
73.02826	25.6
79.05397	12.5
81.06971	49.2
83.01259	1.3
83.08526	11.5
84.08066	1.7
85.02822	25.4
86.09612	2.8
91.05401	9.8
91.46057	1.1
92.10258	2.4
93.06966	34.4
95.01247	41.2
95.04856	5.0
95.08530	100.0
97.02811	22.1
97.10078	5.2
99.00730	2.7
102.13854	1.1
103.03860	2.4
105.06965	36.3
105.44367	1.3
107.08533	60.7
109.06444	1.7
109.10103	60.4
109.80610	1.5
111.08028	11.0
111.11637	1.5
113.02314	6.5
115.03854	7.7
117.06964	2.5
119.08526	55.6
121.10090	52.3
123.00752	2.0
123.11654	21.1
125.09539	1.8
131.03374	2.4
131.08513	14.4
133.04919	2.5
133.10086	44.4
135.11653	42.0
137.09546	1.7
137.13208	5.4
139.11127	8.3
140.98166	1.4
141.01796	91.9
142.02094	2.2
143.08543	1.9
144.09265	1.8
145.10095	21.8
147.11658	32.7
148.11952	1.7
149.13240	26.2
151.11118	2.4
151.14758	1.5
153.12648	1.8
157.10022	4.8
159.02840	9.4
159.11664	22.3
161.13210	32.5
162.13623	1.3
163.11047	1.8
163.14774	28.9
165.12788	3.9
165.16484	1.4
171.11607	2.9
173.13197	15.7
175.14763	26.6
177.03877	4.9
177.16324	18.6
179.27556	1.2
184.07295	2.6
185.13260	2.5
187.14732	17.9
189.16318	23.5
191.14391	1.1
191.17876	7.3
193.15863	3.1
195.17401	4.8
199.14761	5.4
201.16339	19.7
203.17906	36.4
205.15793	5.2
205.19633	1.8
207.17410	7.6
213.16321	5.8
215.17891	18.3
217.06958	1.5
217.15771	1.9
217.19489	16.1
219.17442	10.5
219.21085	1.5
221.18961	8.7
227.17885	7.3
229.19427	24.8
231.21088	1.8
233.18898	8.0
235.20267	2.2
241.19368	2.9
243.20990	5.6
245.18845	2.3
247.20544	8.9
255.21028	5.3
257.22571	3.1
261.22067	2.5
269.22504	5.1
271.24023	1.5
273.21835	2.4
275.23401	3.5
287.23465	1.6
295.24042	2.7
297.25574	1.7
311.27429	2.3
313.25229	1.5
315.26920	2.8
319.36493	1.3
353.36865	1.3
365.31934	2.2
381.31430	1.5
383.32916	7.9
405.25824	1.2
405.35095	13.7
423.36124	83.0
424.36136	5.8
441.37152	75.4
442.37280	3.1
457.92511	1.4
581.38153	2.9
599.39111	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	767.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	16.0
56.47615	1.6
57.03361	2.3
57.07011	8.3
60.99571	1.6
63.10648	1.7
64.33121	1.9
65.51235	1.6
67.05137	1.6
67.05437	22.6
69.06994	15.6
70.34660	1.9
71.07289	3.3
71.08535	2.9
73.09824	1.6
79.05396	9.1
81.06972	24.5
81.69409	1.9
81.73001	1.7
83.08541	4.2
85.10093	3.5
86.09626	27.3
91.05412	5.0
93.06979	8.5
95.08533	17.5
97.06468	2.5
97.10096	2.7
105.06993	2.9
107.08568	2.4
109.10117	3.5
119.08535	2.5
121.10110	2.3
124.99943	10.7
134.98192	15.6
146.98132	14.0
150.95580	3.4
152.18541	2.1
184.07352	21.2
195.00264	12.6
223.27509	2.4
278.08743	2.1
513.24481	2.2
583.46130	3.1
584.47119	2.9
637.47229	11.3
654.47260	2.5
655.48950	100.0
656.49017	8.7
707.45160	8.2
708.45795	3.8
748.43610	10.4
749.45239	23.3
766.52991	3.4
767.47974	98.5
768.47662	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	768.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	1.5
56.04962	1.0
57.03387	1.8
61.02858	2.2
67.05431	3.8
69.03351	19.0
69.07018	1.1
70.06511	12.9
71.04905	6.3
72.08073	1.6
73.02828	1.9
78.39896	0.7
81.03337	14.6
81.06952	1.4
83.04907	5.0
83.06019	1.3
84.04429	15.0
84.08069	4.9
85.02830	61.4
86.03135	0.9
86.09637	4.0
91.05397	2.9
93.06969	3.6
95.04902	8.8
95.08521	1.6
96.51996	0.8
96.83756	0.8
97.02223	1.5
97.02833	29.1
97.06462	0.8
99.04386	47.7
101.86696	0.9
102.05467	1.3
103.03880	91.5
105.06990	6.9
107.04930	1.1
107.08543	3.4
109.02827	21.3
109.06455	4.7
109.10089	1.1
109.45036	0.8
110.07118	5.1
111.04393	4.5
117.07006	3.5
118.06469	3.4
119.08557	7.7
119.09240	0.8
120.08080	0.8
121.06469	6.0
121.10103	1.3
123.08051	4.5
127.03880	100.0
128.04195	1.2
130.04997	1.8
130.06439	1.2
131.08530	7.3
132.08057	1.4
133.10100	1.6
135.08029	5.6
137.09618	1.3
139.07640	0.9
143.08559	3.4
144.08090	5.4
145.04939	34.4
145.06218	1.6
145.06514	1.4
145.10095	5.2
146.06009	19.6
147.06337	6.6
147.08028	4.5
147.11696	1.1
149.09586	3.1
155.08572	0.9
156.09283	1.0
157.10129	4.0
158.07228	1.2
159.07999	4.2
159.09186	3.6
159.11674	4.7
161.09572	7.4
163.05988	30.9
163.07390	1.0
165.09088	2.2
168.09230	1.5
169.04843	1.1
171.07880	1.9
171.11688	2.1
172.08852	1.6
173.09534	3.3
173.13266	4.3
175.07487	3.9
175.11166	1.3
181.04903	1.2
183.11707	1.3
187.05983	3.6
187.11153	3.6
188.07013	21.8
189.07375	9.5
189.09100	3.7
196.08791	0.9
199.11133	8.9
201.12700	4.6
203.10696	3.5
205.09677	6.0
208.10677	1.1
209.11732	1.0
211.11182	4.1
217.12259	5.6
219.13786	1.2
225.10252	1.9
229.12155	4.6
247.13228	19.4
265.14316	21.0
265.32751	1.0
271.08105	5.7
289.09131	5.7
307.10168	18.7
334.13901	7.1
335.14078	4.8
409.18372	1.4
510.45673	1.0
535.21448	3.4
553.22583	5.2
571.23688	3.6
643.57806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04963	0.3
59.06053	0.8
60.05573	1.0
60.07780	0.3
60.08095	10.1
67.05423	1.0
71.06931	0.3
71.07287	4.5
71.07654	0.3
79.05384	0.3
81.06975	0.4
86.09625	48.7
87.09962	0.4
93.06969	0.2
95.08519	0.2
98.98392	4.3
104.10680	3.3
124.99963	35.5
125.82061	0.2
143.01030	0.8
156.64833	0.2
184.07301	100.0
185.07599	1.1
195.00201	0.8
207.85149	0.2
285.66672	0.2
576.01465	0.2
582.23706	0.2
768.55499	4.9
769.54822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05433	0.9
57.06992	0.9
60.08090	0.7
60.32503	0.5
65.03868	9.4
67.05409	2.8
69.06966	0.7
70.63334	0.6
81.06961	2.9
86.09611	5.6
91.05380	0.8
93.06949	1.0
95.04908	1.1
95.08541	1.2
105.03317	0.6
109.10118	0.6
121.02814	3.2
123.07990	0.8
124.99964	2.4
130.77187	0.6
139.03899	5.0
139.04787	0.5
146.98175	0.7
147.04361	1.2
149.02327	100.0
149.03427	9.1
149.27368	0.7
150.02623	3.1
166.21716	0.7
175.03764	1.0
177.05252	0.8
178.96349	0.6
184.07280	7.8
191.06956	0.6
193.04933	61.7
194.05284	0.7
195.00240	0.7
210.74673	0.5
219.06424	0.7
237.07449	0.7
257.32114	0.7
278.64948	0.7
297.03909	0.8
313.06760	0.7
341.06448	3.0
359.07541	1.0
385.08975	4.7
509.37646	0.7
543.97638	0.6
563.33838	0.6
577.12421	0.8
715.61981	0.7
769.17346	12.1
769.44928	1.0
770.17377	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81857	0.4
55.01807	0.5
55.05450	5.0
56.04965	2.0
57.03367	0.8
57.06998	0.7
60.04441	0.6
60.40113	0.3
60.60808	0.3
61.02821	0.4
65.03864	2.2
67.05423	4.3
67.09679	0.4
69.03353	4.1
69.06982	1.8
70.06512	11.2
71.04919	0.8
71.06836	0.6
71.84144	0.4
72.08064	1.8
74.05990	0.4
79.05402	2.1
81.03329	1.8
81.06976	6.0
83.04897	4.7
83.06004	0.6
83.08546	3.8
84.04430	6.5
84.08063	9.4
85.02828	2.5
85.06470	1.0
85.23841	0.4
86.09610	2.5
86.10150	0.4
87.04373	0.8
91.05402	9.4
92.10279	0.4
93.03326	2.8
93.06987	3.7
95.04900	3.6
95.08537	2.4
97.02825	48.9
97.06443	1.4
99.04346	0.4
101.07111	0.5
102.05492	0.7
105.06966	4.7
107.04900	0.9
107.08537	5.7
109.02756	0.7
109.06485	2.8
109.10108	11.3
110.07130	6.6
111.04420	0.6
111.08047	0.9
113.05935	0.5
114.05489	0.4
115.08686	0.6
117.06950	0.4
119.04900	23.1
119.08519	2.7
120.08035	0.6
121.02832	1.8
121.10117	5.6
123.08029	1.6
123.11672	3.3
125.02277	0.5
125.09582	1.7
127.03891	0.7
128.06146	0.6
129.05463	0.6
129.10194	4.9
130.04997	0.4
131.04906	0.4
131.08556	5.2
133.10094	13.8
135.08022	1.8
136.07541	2.5
137.53183	0.4
141.06935	2.2
143.08566	0.5
144.05687	0.9
145.10095	1.8
147.04391	100.0
147.11671	1.5
148.04712	4.1
149.02339	2.1
149.13235	2.4
151.11163	3.5
153.06932	0.4
153.09061	0.8
157.06491	0.8
158.10863	0.9
159.08025	11.9
159.09238	0.7
165.12718	3.0
167.03363	9.1
167.14256	5.7
167.23930	0.4
169.06409	5.4
169.07635	0.5
171.08034	1.5
173.13216	4.9
185.05931	0.8
187.07503	5.3
191.14223	4.3
197.05937	5.1
199.07457	0.4
209.15346	19.7
209.17334	0.6
210.15669	0.8
215.07018	6.5
243.06479	1.8
255.06564	2.3
261.07529	19.1
262.07855	0.7
279.08530	3.6
295.07852	0.4
345.07880	0.5
509.12262	0.5
527.13989	6.4
579.57660	0.5
768.26288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	3.0
55.05450	29.7
57.03354	6.6
57.07005	2.7
59.11215	1.5
60.08084	3.6
65.03859	2.7
67.05427	100.0
69.06990	27.1
79.05405	54.1
81.06973	91.4
83.04900	8.0
83.08519	13.5
85.06455	2.4
86.09613	21.3
91.05406	44.1
93.06432	2.8
93.06975	48.3
95.04910	11.7
95.08528	57.5
97.06447	7.0
97.10094	3.8
98.05942	2.0
98.98378	2.7
99.07991	2.6
99.97356	1.6
105.06971	34.0
107.08524	18.3
109.06474	6.6
109.10103	21.0
111.07995	2.6
117.06960	8.9
119.08535	20.0
121.06390	1.8
121.10086	11.4
123.11591	3.9
124.99954	15.4
129.06964	3.1
131.08546	14.1
133.10085	12.1
135.08017	2.1
135.11655	6.9
143.08594	3.5
145.10085	9.4
145.11102	1.6
147.11685	7.0
149.13257	2.2
151.11066	2.1
159.11804	4.0
161.13284	2.2
180.13766	2.4
184.07294	38.2
187.38086	1.7
257.19016	2.1
275.20023	7.7
306.27896	6.1
337.27203	11.1
349.23752	2.2
362.27048	1.6
491.36932	9.9
531.40082	7.2
571.43262	15.9
593.45123	3.7
611.46417	36.6
612.46967	1.8
629.47534	20.5
630.47626	2.7
694.44220	2.6
770.48627	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	770.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	1.8
55.05236	0.9
55.05456	12.9
57.03370	2.4
57.07010	7.4
58.89762	1.1
63.97158	1.1
65.03856	1.9
67.05424	39.2
68.05762	1.6
68.34061	1.1
69.06985	12.3
70.78141	1.1
71.08544	17.3
73.14751	1.4
79.05405	39.6
81.03326	2.1
81.06974	34.9
83.04897	2.7
83.08547	2.9
85.06415	1.9
86.09628	2.7
91.05411	29.0
93.06967	45.2
95.04918	8.5
95.08533	24.3
97.06466	3.0
97.10123	2.1
98.98426	2.2
99.08018	8.9
105.06972	20.4
107.04912	2.5
107.08533	21.0
109.10089	10.0
117.06963	6.9
119.08533	15.2
121.10097	13.7
129.06963	2.3
131.08543	11.3
133.10085	14.2
135.11679	9.8
145.10112	7.0
147.11653	5.6
149.13272	6.1
151.11200	5.9
159.11664	2.2
161.13229	7.2
163.11182	2.9
171.11717	2.1
179.14270	22.5
184.07315	6.2
277.21573	8.9
286.30942	6.5
304.26236	1.4
317.24597	1.6
351.24921	2.0
593.45380	6.1
611.46539	100.0
612.47028	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	770.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01797	2.6
55.05450	38.6
55.16074	2.0
57.03362	8.5
57.07005	2.9
60.06657	1.9
64.08447	2.0
65.03873	2.3
67.05077	3.4
67.05423	98.3
69.06713	1.9
69.06992	32.0
71.04909	2.4
71.08537	8.3
72.28813	2.0
79.05405	66.2
81.03330	3.7
81.06970	91.1
82.06497	2.2
82.07231	2.3
83.04882	9.1
83.08526	14.0
85.06483	2.0
86.09618	9.2
87.73425	1.8
91.05410	55.1
93.06968	62.7
95.04891	16.7
95.08529	48.1
97.06471	3.0
97.10095	7.4
98.05993	3.5
98.98407	3.2
99.07999	4.6
105.06982	34.7
107.04940	2.5
107.08542	28.2
109.06463	4.8
109.10128	25.4
111.08026	4.8
117.06973	14.5
118.93870	2.3
119.08552	20.2
121.06470	2.7
121.10088	21.0
123.11655	7.9
124.99959	8.7
125.09621	2.7
129.07013	4.3
131.08521	20.3
133.10103	15.5
135.11624	10.7
137.05435	2.0
138.71431	1.9
145.10094	11.6
147.11642	8.7
151.11115	3.1
157.10020	2.2
159.11646	3.1
161.13333	3.5
179.14291	3.9
184.07259	23.9
185.13220	3.2
261.22220	2.2
275.19861	2.9
277.21649	11.9
302.24570	2.3
306.27927	2.8
313.21353	3.3
320.25974	2.7
335.25821	3.7
489.35858	16.1
490.36108	2.4
529.38641	11.0
593.45215	13.2
611.46600	100.0
612.46582	14.2
623.65765	2.2
629.47504	21.7
639.97260	2.3
650.24988	2.8
667.24316	2.7
752.48090	3.0
790.91302	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	770.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01684	0.4
55.05433	0.6
57.07000	1.6
59.06068	0.6
60.05586	4.2
60.08097	9.0
63.56099	0.4
67.05428	5.0
69.06976	1.8
69.29333	0.4
71.07292	4.2
71.08531	1.7
79.05391	1.7
81.06961	4.1
86.09630	50.9
87.04378	2.0
87.09918	0.4
88.38385	0.4
91.05375	1.0
93.06971	1.9
95.04889	0.5
95.08533	3.2
97.10082	0.6
98.98397	5.0
104.07031	2.3
104.10696	3.8
105.06985	1.0
107.08514	0.5
109.10082	0.7
119.08547	0.9
120.96636	0.7
121.10046	0.4
124.99965	33.5
135.11607	0.5
142.12163	0.5
143.01001	0.6
176.27954	0.4
184.07310	100.0
185.07663	2.1
195.00281	1.8
378.26807	0.5
406.11328	0.5
493.53992	0.5
611.46179	0.5
627.78461	0.6
629.47821	3.3
673.90900	0.5
687.70270	0.5
727.44586	0.9
752.52136	5.8
753.52045	0.6
769.50696	0.6
770.50342	5.3
771.43298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82040	0.5
55.05450	1.2
56.04962	0.7
56.97328	0.5
57.07024	0.7
60.08098	8.9
60.64986	0.5
67.05434	4.4
68.55126	0.5
69.06984	2.1
70.06493	0.9
70.10147	0.5
71.07287	4.0
71.08535	0.8
72.08043	0.6
74.03967	0.5
79.05406	2.0
81.06985	3.7
83.08548	0.6
86.09630	47.4
87.09937	0.7
91.05403	1.0
93.06951	2.9
95.08523	2.7
98.46935	0.5
98.98418	4.2
98.98949	0.5
104.10681	3.1
107.08523	0.6
109.10120	0.7
116.07052	0.8
119.08507	0.9
120.96558	0.7
124.99034	1.1
124.99960	31.9
131.08464	0.6
143.01016	0.8
143.39165	0.6
146.98247	0.6
184.07307	100.0
185.07677	3.0
242.53319	0.5
398.01596	0.6
459.86737	0.7
539.41241	0.6
611.46637	1.1
629.47498	4.2
727.46490	0.7
734.89832	0.6
752.52362	6.1
769.49426	0.6
770.49310	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	770.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81499	0.2
56.04968	0.5
56.86116	0.2
60.08098	7.6
62.90449	0.2
71.07292	4.3
79.05363	0.2
86.09630	46.5
87.09951	0.3
92.10952	0.2
98.98397	4.1
104.10685	4.1
119.56715	0.2
124.99965	34.5
143.01031	0.4
151.03296	0.2
168.62247	0.2
175.84947	0.2
184.07315	100.0
185.07683	1.3
303.35971	0.2
321.09787	0.2
496.33847	0.3
524.59534	0.3
770.53168	12.8
771.55023	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.6
55.05450	1.6
57.67091	0.4
60.04450	0.4
68.53014	0.4
69.03342	2.4
70.06512	8.9
71.04898	1.7
71.41992	0.4
72.08052	1.7
79.05380	0.7
81.03336	2.5
81.06979	0.7
82.68434	0.4
84.04433	2.8
84.08053	4.9
85.02835	5.4
86.09599	3.1
91.05404	1.7
93.06954	1.8
95.04862	0.7
95.08547	0.8
97.02823	21.1
99.04388	6.0
101.07084	0.5
102.05451	0.6
103.03865	4.9
105.06965	7.8
107.08527	0.6
109.02821	3.0
109.10116	0.5
110.07111	2.0
115.05381	0.5
119.08508	2.8
120.08054	2.1
121.06456	1.0
123.08031	0.6
123.11692	0.5
127.03875	100.0
128.04216	0.7
128.06215	0.5
129.10199	2.4
130.04967	0.5
131.08536	0.8
133.06471	0.7
133.10089	7.9
136.07587	0.7
143.08575	0.9
145.04951	2.0
145.10065	0.8
147.08041	0.7
155.08426	0.8
161.09587	8.5
173.09622	0.6
179.10660	0.8
189.09015	0.5
198.46373	0.5
201.09026	0.5
201.69502	0.5
203.95264	0.5
207.10117	2.8
229.12132	0.7
239.10716	0.8
252.72977	0.5
257.11685	2.4
275.12900	1.0
285.11288	0.6
303.12015	0.6
339.14331	0.7
391.40060	0.5
433.13425	4.3
648.44757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00307	0.7
55.01809	6.0
55.05192	1.9
55.05450	39.5
56.05777	1.5
57.03355	4.6
57.07007	6.7
60.08091	1.0
65.03846	2.1
67.05427	100.0
68.04964	1.1
68.05740	1.2
69.06989	29.6
71.04890	4.1
71.07269	0.8
71.08546	9.0
72.04417	1.5
72.62241	0.8
79.05408	38.8
80.04891	1.0
80.05697	0.9
81.03325	3.4
81.06974	84.7
82.03932	0.8
82.06497	1.6
82.07303	2.0
83.04888	6.8
83.08541	21.8
85.06453	2.1
86.05973	1.1
86.09636	9.3
91.05404	32.8
93.06378	0.9
93.06966	37.2
95.04890	9.1
95.08527	64.0
96.08836	3.8
97.06449	7.8
97.10089	10.3
98.05984	2.8
98.98374	4.8
99.08014	7.2
105.04420	1.3
105.06966	15.8
107.08532	21.0
108.08860	1.4
108.53164	0.9
109.06480	3.2
109.09407	1.3
109.10107	29.0
111.08005	4.9
114.09122	1.3
117.06956	5.5
119.08533	13.9
121.06470	1.0
121.10081	12.1
123.08009	1.5
123.11646	5.6
124.99934	5.7
125.09578	3.5
131.08546	5.2
133.10071	12.7
135.11633	5.4
137.09572	1.2
137.13200	1.7
139.11108	1.4
142.12260	1.0
145.10080	1.9
147.11650	7.8
149.13219	3.8
151.11124	6.6
151.14801	1.3
161.13179	5.8
163.11093	4.8
163.14778	2.1
173.13190	3.5
175.14796	7.2
177.12659	1.1
179.14214	1.6
180.13771	8.1
184.07307	13.5
185.07643	1.1
193.15862	1.5
196.13271	2.1
198.14842	0.9
220.16911	3.1
238.17839	1.5
259.20383	1.8
263.23486	1.1
277.21552	10.0
278.11392	1.1
306.27847	4.7
320.25555	1.9
326.26303	0.9
337.27267	7.6
338.27292	1.3
349.86673	0.9
351.25278	1.1
387.51727	0.9
491.37225	25.7
492.37244	1.7
531.40308	23.2
532.40509	2.0
595.47284	6.0
613.48096	57.2
614.37592	3.5
614.48083	12.0
631.49377	15.8
632.49860	1.0
654.41260	7.9
736.48645	4.3
754.49005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	0.8
55.05452	12.8
57.07019	5.5
57.90841	0.5
60.08076	0.8
65.03866	2.1
67.05428	40.1
68.05760	0.9
69.06992	10.0
71.04891	0.6
71.08568	0.9
75.04794	0.5
79.05409	48.6
80.05740	0.6
81.06975	31.6
81.07452	1.2
83.08535	4.4
85.05259	0.6
85.06469	0.9
85.63089	0.5
86.09632	6.2
91.05406	30.5
93.06972	54.3
94.07288	0.9
95.04890	8.1
95.08534	22.0
97.06458	2.3
97.10099	3.1
98.06005	2.4
98.98380	2.5
99.08028	0.8
104.10715	0.6
105.04491	0.8
105.06973	20.3
107.08540	20.5
109.06460	2.0
109.10110	6.9
117.06975	9.3
119.08540	12.1
121.10091	10.7
123.11683	1.3
124.99977	5.1
125.09592	0.6
131.08539	14.5
133.10107	6.4
135.11667	10.5
143.08513	1.2
145.10110	8.7
147.11688	5.1
149.13240	5.7
159.11743	3.8
161.13217	3.1
163.14827	2.5
171.10011	0.6
173.13210	4.0
175.14812	2.7
177.16362	1.0
184.07294	11.4
187.14880	0.8
243.21121	2.9
261.22159	2.5
304.26309	2.6
306.27902	3.5
317.24664	9.5
320.25717	0.9
321.65723	0.6
335.25735	4.0
508.30975	0.7
527.53174	0.6
595.47113	100.0
596.47473	12.8
602.45654	0.5
613.47693	0.9
646.32050	0.7
736.48212	2.7
754.49493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	3.9
55.05453	23.7
57.03368	1.6
57.07013	2.8
60.08082	4.7
65.03851	3.5
65.17431	0.7
67.05429	62.4
68.05753	0.9
69.03331	0.8
69.06985	21.3
71.04905	1.3
71.07260	1.2
71.08542	9.9
73.41689	0.7
79.04957	1.4
79.05409	38.1
81.03336	5.6
81.06977	53.4
82.06506	1.2
82.07314	1.4
83.04890	4.4
83.08534	10.8
85.06444	0.8
85.10146	0.8
86.09627	25.5
91.05407	20.5
92.05748	1.1
93.06971	27.3
94.07227	1.1
95.04900	9.7
95.08537	36.6
96.08865	1.1
97.06441	4.1
97.10121	8.9
98.05973	3.9
98.98397	4.4
99.08014	4.5
104.10697	1.1
105.06982	14.6
107.08540	20.2
108.08832	0.8
109.06447	1.7
109.10110	15.5
111.08009	1.6
117.06963	4.8
119.08527	10.4
121.10100	9.5
123.08005	0.9
123.11666	5.6
124.11189	4.6
124.99973	16.7
125.09572	5.6
131.08525	3.3
133.10089	9.4
135.07996	1.0
135.11641	5.9
137.13144	1.0
142.12238	3.3
143.08548	1.1
145.10098	1.6
147.11670	6.2
149.13235	2.8
151.11153	7.0
161.13152	5.2
163.11115	3.4
166.11057	0.7
168.13782	0.8
175.14775	1.2
179.14235	1.8
184.07310	56.6
189.11115	1.0
196.13338	14.4
196.92638	0.7
204.56160	0.8
214.14317	1.6
227.12749	1.5
241.19341	1.0
259.20340	0.9
263.23706	1.3
277.21558	14.0
303.78818	1.0
306.27756	5.4
308.29471	1.4
320.25726	2.9
337.27325	3.3
351.25031	3.1
391.87985	0.9
403.02951	0.9
405.07480	0.8
505.38245	1.0
507.36633	4.2
515.40558	1.2
532.39734	3.1
534.72638	0.8
572.43317	1.2
595.46735	3.0
612.46570	1.3
613.48157	100.0
614.48389	12.3
624.70703	0.8
630.37268	0.8
630.47406	0.8
631.48969	7.2
736.49152	1.0
754.49982	5.1
772.45001	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	772.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10572	0.7
54.82507	0.7
55.01807	2.4
55.05188	1.0
55.05449	26.6
57.03357	1.6
57.07003	4.3
58.07524	0.8
59.06659	0.8
61.45882	0.9
65.03853	1.3
67.05427	80.1
68.05754	0.9
69.06652	1.3
69.06985	19.5
71.04893	1.0
71.08552	15.0
72.04418	1.5
79.05404	35.2
80.05731	1.1
81.03321	6.5
81.06973	69.7
81.07450	2.3
82.07285	1.8
83.04887	4.0
83.08542	12.5
83.50734	1.2
85.06454	2.1
85.10061	1.0
86.09621	8.2
91.04895	1.5
91.05407	23.7
93.06976	31.9
95.04887	10.9
95.08531	44.9
97.06448	1.7
97.10124	10.4
97.10683	1.5
98.05984	1.9
98.07163	1.1
98.98396	4.1
99.08017	6.3
105.06961	14.8
107.08537	18.3
109.06496	1.6
109.10114	19.2
111.08033	1.7
117.06959	3.9
119.08552	9.7
121.10098	8.1
123.07964	2.0
123.11651	5.6
124.11180	1.3
124.99945	6.9
125.09588	4.7
129.06895	1.3
131.08504	2.4
133.10089	10.6
135.11668	8.6
137.09612	1.4
137.13237	1.3
139.11111	1.2
142.12239	4.3
145.10104	1.8
147.11653	5.0
149.09557	1.0
149.13240	3.8
151.11166	5.9
153.09033	1.4
155.01064	0.9
161.13229	6.2
163.11122	5.3
163.14854	1.8
171.11600	1.1
173.13249	1.5
175.14732	1.8
179.14240	5.1
184.07326	17.9
189.11275	1.3
196.13281	10.2
221.57361	1.0
259.20508	1.5
271.87628	1.0
277.21539	17.6
295.22739	1.4
306.27902	6.2
307.28214	1.4
312.23636	1.2
320.25827	5.4
337.27271	2.3
351.25186	2.3
491.36877	2.4
515.40552	4.4
532.39624	2.1
585.49036	1.5
613.48132	100.0
614.48541	14.1
631.49414	2.1
736.48383	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	772.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93675	0.1
54.81569	0.2
55.05424	0.2
56.04959	0.6
58.06533	0.4
60.08096	9.6
61.20406	0.2
67.36567	0.2
71.07287	4.5
79.05375	0.3
86.09628	52.0
87.09963	1.0
98.98400	4.1
104.10678	3.6
124.99964	36.4
143.01054	0.4
184.07309	100.0
185.07632	1.5
275.31519	0.2
335.56158	0.2
444.37756	0.2
754.53638	8.7
755.53143	1.2
789.76074	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	772.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	0.2
55.71436	0.2
56.04961	0.9
58.06528	0.2
60.08097	10.1
65.53667	0.2
71.07287	4.9
81.06963	0.3
86.09628	50.5
87.09985	0.4
95.08537	0.4
98.97826	0.3
98.98402	4.9
104.10687	4.1
124.99963	34.9
143.01025	1.0
184.07309	100.0
185.07658	1.3
306.27869	0.3
489.66592	0.2
496.33545	0.3
732.58002	0.2
772.54797	12.0
773.54755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75903	0.2
56.04973	0.2
58.06529	0.4
60.07785	0.4
60.08093	9.1
67.05424	0.4
69.06982	0.2
71.07296	4.0
79.59734	0.2
81.06971	0.3
86.09627	48.2
87.09954	0.4
91.59853	0.2
92.10831	0.2
93.06981	0.2
98.98399	3.6
104.10666	3.7
104.11296	0.3
109.10056	0.2
121.93645	0.2
124.99963	34.8
143.01015	0.8
146.40692	0.2
149.72897	0.2
152.08583	0.2
184.07306	100.0
185.07706	1.8
189.15535	0.2
285.79822	0.2
312.80441	0.2
371.76486	0.2
482.63840	0.2
685.77319	0.2
754.53619	1.7
772.54810	5.1
773.54401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05428	0.2
56.04963	0.4
57.06990	0.2
58.06513	0.3
60.05506	0.1
60.08092	10.5
66.83452	0.1
67.05415	0.2
69.06921	0.2
71.07288	4.9
81.06953	0.3
84.78957	0.1
85.48055	0.1
86.09624	51.9
87.09943	0.7
93.06947	0.1
95.08532	0.2
98.98397	4.5
102.40906	0.1
104.10679	3.9
109.70584	0.1
116.99403	0.2
124.99958	35.3
126.00345	0.2
127.09710	0.1
143.01044	0.7
184.07297	100.0
185.07681	1.5
189.51038	0.2
249.91832	0.2
306.28049	0.2
433.55618	0.2
496.34195	0.3
543.06616	0.2
772.54816	10.7
773.54767	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04975	2.5
58.47004	0.4
64.89618	0.5
65.53094	0.5
66.28322	0.5
68.04941	0.6
69.03340	0.6
69.06983	8.3
70.06507	100.0
71.06837	1.0
74.05974	2.4
75.45958	0.5
76.13463	0.6
83.06014	9.7
84.03947	1.2
84.04424	26.5
84.08058	0.8
85.02815	0.9
85.04738	0.6
86.09624	81.6
87.09939	0.6
87.20684	0.5
88.03909	0.7
90.95721	0.5
91.05392	0.9
96.04411	1.1
97.02838	0.8
98.06020	0.7
100.07545	0.8
101.07060	7.7
102.05465	2.8
114.36808	0.6
115.08634	22.1
116.07025	0.8
119.04878	0.7
119.08533	0.7
120.08058	1.2
127.03822	0.9
129.06546	2.8
130.04959	9.6
139.54259	0.7
141.06580	9.5
141.10205	0.9
148.06036	2.7
152.10728	0.8
153.10229	1.4
156.10173	0.9
159.07591	2.3
171.11290	0.8
177.00623	0.8
181.09636	0.7
187.07132	3.0
188.06880	0.6
195.07663	0.9
198.12399	6.5
199.10538	0.9
201.12317	3.4
211.10753	0.6
213.08728	0.6
215.13780	2.7
226.11824	14.9
240.09816	0.6
241.08073	6.0
258.10727	15.5
259.09116	7.5
276.11798	3.5
284.12247	0.9
287.05307	2.9
288.03851	0.6
295.12274	0.6
300.15259	2.2
309.08380	0.9
312.15518	1.0
329.15558	0.6
330.16351	1.2
356.14349	3.5
373.17105	64.7
374.17432	4.3
383.19241	0.6
401.20114	5.9
467.18353	1.4
474.21701	5.8
622.32996	0.6
734.13556	0.8
755.35791	0.8
756.34729	0.7
773.37054	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	774.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	0.2
56.04975	0.6
58.06549	0.3
60.08096	9.1
68.62074	0.1
71.06890	0.2
71.07290	4.6
74.39433	0.1
79.05412	0.2
80.14737	0.2
85.51046	0.2
86.09629	46.8
87.09972	0.8
93.21452	0.1
95.08507	0.2
98.98396	3.6
104.10677	3.0
104.86092	0.2
111.04469	0.2
111.97758	0.2
111.98507	0.2
124.99966	30.9
135.71873	0.1
137.33719	0.2
141.29245	0.1
143.01033	0.3
184.07312	100.0
185.07649	1.3
246.23958	0.1
382.93411	0.2
597.71155	0.2
756.55219	9.9
757.55414	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81459	0.4
60.07827	0.6
60.08094	9.2
60.86357	0.4
62.15612	0.4
66.22969	0.4
71.07291	5.3
86.09623	51.1
98.98380	4.1
104.10680	3.2
112.26833	0.4
121.73930	0.5
124.99032	1.0
124.99960	31.8
143.00964	0.5
164.12463	0.4
184.07292	100.0
185.07620	0.8
199.50633	0.4
238.41579	0.5
282.78519	0.5
295.94174	0.5
311.35181	0.4
381.05209	0.5
654.70099	0.5
774.56506	9.8
775.56421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04971	0.4
58.06537	0.2
60.08092	8.4
64.32693	0.2
71.00185	0.2
71.07280	4.0
80.00385	0.2
86.09623	44.9
87.09919	0.3
87.77137	0.2
98.98394	3.7
104.10673	3.6
106.18567	0.2
107.08478	0.2
124.99954	30.6
143.01057	0.4
179.90979	0.2
184.07295	100.0
185.07616	1.4
300.46375	0.3
489.39584	0.2
624.29120	0.2
756.54938	2.5
774.56219	6.1
775.55157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81410	1.7
55.05441	8.1
57.06737	2.0
57.07010	57.0
59.04924	1.9
60.08082	1.8
67.05432	10.5
68.05748	1.6
69.06978	7.6
71.07294	1.8
71.08540	37.0
73.06460	8.8
79.05396	2.7
80.06295	1.3
81.06972	7.2
83.02140	1.4
83.08546	6.2
85.10111	17.3
86.09641	21.3
87.04384	14.4
87.40842	1.6
89.05948	100.0
92.10978	2.8
93.06899	1.9
95.08534	2.9
97.10091	8.0
98.86617	1.5
98.98394	2.0
107.07034	3.8
107.08518	2.1
109.10093	2.1
112.99941	1.5
117.09070	8.3
124.99982	11.0
131.06996	3.0
133.08566	38.3
140.88097	1.7
177.11192	15.6
184.07304	36.6
221.13826	3.1
245.27832	1.5
282.84064	1.7
299.29315	2.9
343.31924	3.7
459.26569	1.9
523.82410	2.1
579.37329	2.0
613.38879	1.8
613.48181	6.1
615.49097	2.2
622.06360	1.7
757.55658	3.0
774.60590	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	776.484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	12.9
57.07008	2.8
57.72834	1.8
60.08080	8.9
62.60889	1.9
67.05432	35.3
69.06969	4.9
71.07286	4.6
71.64618	2.0
79.05412	24.6
81.06976	34.9
83.08541	5.3
85.95675	2.0
86.09631	55.1
89.05938	2.7
91.05405	22.5
93.07001	18.8
95.03394	2.0
95.04898	3.4
95.08518	22.7
97.10089	2.0
104.10695	3.3
105.06953	16.1
107.08546	4.6
109.10083	4.7
115.93140	2.3
117.06938	3.3
119.08533	9.3
120.96595	64.3
121.10141	3.8
124.99966	37.9
131.08556	4.6
133.10086	10.1
145.10106	3.6
145.99802	2.7
147.11655	3.2
164.00815	33.0
184.07315	100.0
200.96036	2.1
281.91229	2.4
329.46481	2.2
364.09317	2.8
439.22522	2.1
593.41534	2.9
617.45435	27.3
635.46277	22.6
715.42896	27.1
717.40570	3.7
758.46918	38.2
759.47723	7.8
775.48303	2.9
776.45709	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05460	0.2
56.04971	0.8
58.06533	0.3
60.08100	9.8
63.10987	0.1
64.33452	0.2
67.05438	0.3
69.64819	0.1
70.06509	0.2
71.07297	4.0
71.08521	0.1
71.34859	0.1
76.32735	0.1
86.09633	48.2
87.09957	0.7
98.98403	4.0
104.10679	3.3
124.99970	32.7
135.47951	0.2
143.01079	0.7
184.07320	100.0
185.07654	1.4
691.58423	0.2
758.56219	0.2
776.57922	10.5
777.57599	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81821	0.3
55.22001	0.3
56.96495	2.9
58.38501	0.3
62.17963	0.3
65.27330	0.3
70.06516	5.0
74.80927	0.3
76.11550	0.3
81.03345	0.4
84.04431	1.7
84.08055	1.4
84.95945	1.5
85.64445	0.3
86.06020	0.4
86.09641	0.6
91.05392	0.4
98.97511	5.8
104.01365	0.4
109.02812	3.1
110.07128	1.5
116.98578	8.1
119.04847	0.4
127.03867	2.7
131.08633	0.4
134.99632	8.9
143.00124	0.6
147.04356	0.5
153.00696	1.9
158.99622	1.4
161.01228	3.4
164.98428	3.4
173.01181	0.7
175.02650	0.6
177.00699	4.6
179.02216	1.4
182.99628	19.8
188.07169	0.3
189.00598	0.6
190.95309	0.6
195.01831	0.5
201.00684	100.0
202.00996	1.6
203.02258	1.8
205.05382	0.5
206.01241	0.4
213.00610	0.5
215.02151	0.4
219.01732	40.7
220.02095	0.6
223.06375	3.6
224.02274	2.2
225.00558	0.8
237.02798	1.8
239.02147	0.3
241.07446	2.0
242.03186	0.4
243.01729	5.5
249.00615	0.5
257.03070	0.6
261.02805	2.8
265.07458	2.5
267.01740	1.7
269.03198	1.7
279.01428	0.5
283.08466	7.8
285.02747	0.8
291.01727	1.3
297.02866	0.7
301.09543	1.6
309.02814	5.5
327.03839	8.4
333.02670	0.4
345.04865	4.2
351.03836	12.4
351.07855	0.5
363.04272	0.6
369.04846	10.6
387.05878	8.3
388.06152	0.4
399.73712	0.4
411.05685	1.4
429.07031	0.4
443.02075	0.5
471.08023	7.8
633.10956	2.2
651.12622	4.4
668.98578	0.4
777.15790	5.9
791.39026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	1.5
55.05437	1.4
57.03370	1.7
57.07021	2.3
59.00415	1.1
66.41295	1.4
67.05431	16.3
69.03354	1.4
69.06979	1.8
70.06509	23.8
70.24706	1.4
71.04910	15.4
72.08086	2.3
79.05402	14.7
81.06977	2.9
83.04915	5.5
83.74414	1.4
84.04436	9.9
84.08071	10.5
85.02837	5.9
85.06468	75.5
86.05973	2.0
86.09619	3.0
88.03886	1.6
91.05409	11.4
93.06976	14.7
95.04902	7.0
97.02867	1.6
97.06445	1.5
98.13209	1.5
99.08029	2.9
105.06970	14.1
107.04895	6.1
107.08526	21.0
107.09124	1.7
109.06464	2.5
110.07119	6.2
111.04402	10.5
116.07063	1.9
117.07000	3.1
119.08546	13.9
120.08057	1.8
121.06438	11.2
121.10091	16.0
123.04344	1.3
125.05962	8.1
129.06955	2.0
129.10220	2.9
131.08534	62.1
131.09525	2.1
133.10107	1.7
135.08060	1.9
135.11678	6.0
136.07547	3.0
137.05995	2.3
137.09650	6.2
145.02861	2.1
145.10109	24.4
147.04391	1.4
147.08005	5.3
149.05965	1.8
149.08415	2.5
149.09593	60.8
153.05473	5.3
158.61369	1.3
163.07469	2.0
163.11177	19.2
165.09085	9.8
167.06979	1.6
167.10606	21.9
173.09590	5.5
177.62299	1.5
181.65552	1.4
191.10629	47.8
197.68576	1.3
199.10654	1.5
204.26131	1.6
209.11693	48.8
223.06284	2.0
227.12747	100.0
228.13048	2.2
341.09702	1.5
427.13043	1.6
523.86108	1.6
591.43042	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81638	0.4
56.04958	0.5
57.49723	0.4
60.08096	11.1
61.92732	0.4
67.05424	0.9
68.54095	0.4
71.07279	3.8
72.08064	0.4
72.30122	0.5
73.37046	0.4
79.32084	0.5
80.62050	0.5
81.06946	0.6
86.09625	50.5
89.36198	0.5
95.95832	0.6
98.98389	3.4
104.09995	1.0
104.10677	24.9
120.78502	0.5
124.99032	1.2
124.99957	34.8
133.59065	0.5
143.01028	1.0
184.07300	100.0
185.07617	2.1
295.61508	0.7
502.32721	0.7
520.33887	9.1
614.17102	0.5
699.47046	5.0
700.47052	0.8
733.45111	0.7
777.43976	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	777.448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51166	0.6
56.04955	0.6
57.42757	0.5
60.08094	9.5
61.26366	0.6
64.34199	0.6
67.05451	0.7
71.07284	4.0
71.43551	0.5
81.06966	0.8
86.09628	45.1
97.07547	0.7
98.98390	4.3
104.10674	3.0
108.29497	0.6
120.14220	0.6
124.99966	34.5
127.88333	0.6
143.01042	0.6
156.37059	0.7
184.07306	100.0
198.01337	0.6
201.79706	0.7
328.08676	0.7
390.66150	0.7
699.46960	8.1
733.45123	1.3
777.44641	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	778.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	2.5
55.05441	10.5
56.96716	1.6
60.19223	1.5
62.53902	1.8
67.05429	17.3
69.06980	18.6
69.07322	2.1
70.06492	3.7
71.01272	14.0
73.02822	2.7
75.04379	3.8
79.05396	8.2
81.06966	32.6
83.08504	7.5
85.02824	27.4
86.09599	4.3
91.05408	13.6
93.06953	29.8
95.01254	37.4
95.07961	3.8
95.08528	72.3
97.10081	4.3
99.00736	2.2
100.59946	1.8
101.02313	35.2
103.03905	2.4
105.06963	28.3
107.08532	44.1
109.10104	37.3
111.08022	4.8
111.11600	2.8
113.02288	3.9
117.06911	2.8
119.08537	44.0
121.10092	39.6
123.11639	21.4
124.99967	2.2
127.03870	100.0
131.08501	10.1
133.10103	37.8
135.11659	24.4
137.13193	7.5
141.01797	75.0
143.08534	2.2
145.04941	31.5
145.10085	19.0
147.11659	28.0
149.13284	18.6
157.10085	4.5
159.02827	3.9
159.11655	24.8
161.13203	24.1
163.14746	12.1
171.11635	6.9
172.24779	2.5
173.13231	17.5
175.14786	14.7
177.16368	9.8
184.07320	13.5
185.13167	3.1
187.14748	12.6
189.16287	17.6
191.17877	9.4
199.14774	3.6
201.16328	27.8
203.17950	22.2
205.15881	2.7
211.82780	1.9
213.16272	3.2
215.17876	12.7
217.19449	12.4
227.17935	9.0
229.19392	13.0
241.19643	2.3
243.21007	3.4
248.63121	2.0
255.21045	4.1
257.22684	3.8
269.22498	11.0
283.24228	3.6
305.74808	2.0
309.25476	2.3
365.32114	3.6
405.35022	26.8
406.35321	2.7
423.36105	97.8
424.36316	12.4
560.88855	2.5
581.38025	12.8
599.39166	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	778.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39986	6.9
55.01808	9.6
55.05447	15.6
57.03357	15.5
57.07000	34.3
67.05421	100.0
67.72145	9.7
69.06972	15.8
71.08535	17.6
79.05408	70.2
81.06971	79.5
83.04900	12.2
83.08541	16.7
86.09623	96.4
88.78280	10.8
91.05414	34.7
93.06963	49.0
95.04911	10.5
95.08530	53.6
105.06941	14.2
107.04879	35.4
107.08545	40.4
109.10101	10.3
111.04398	32.3
112.48394	9.2
117.06951	14.1
119.08483	17.5
120.96598	12.4
121.10097	55.5
123.11602	8.6
124.99965	20.6
126.08910	8.7
131.08549	13.5
135.11685	35.4
145.10077	62.5
146.98131	18.5
153.12703	10.4
155.08652	9.4
158.88545	9.0
163.11125	45.1
173.09552	18.0
181.12086	12.1
184.07277	83.5
191.10599	13.4
265.14276	57.6
283.15314	63.6
301.16245	52.5
341.30374	37.4
345.96408	9.0
353.36786	9.1
383.02924	10.6
455.21423	50.3
477.36432	9.2
549.41486	20.1
567.42279	43.1
657.44354	9.9
719.43909	15.3
776.62878	11.0
778.51025	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	6.8
67.05429	44.1
69.00375	2.7
69.06982	6.8
79.05426	25.6
81.06981	48.7
83.08513	2.4
91.05401	16.0
92.10305	3.3
93.06977	30.5
94.08549	3.0
95.08512	29.4
105.06976	13.4
107.08543	16.7
117.06918	3.8
119.08538	10.6
120.96593	100.0
124.99902	3.1
131.08499	5.6
133.98917	3.0
135.11662	2.7
164.00807	42.5
175.14761	2.9
185.11264	2.6
229.30511	2.8
293.51947	3.4
360.67432	2.9
462.36642	3.1
498.69687	3.0
542.52814	2.9
619.46924	46.9
620.46857	4.9
637.47455	12.2
717.44647	37.3
718.44611	5.1
760.48651	83.0
761.48303	10.0
778.49469	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	778.5375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04971	1.1
58.06524	0.3
60.08096	10.2
66.70173	0.1
67.05423	0.3
68.20480	0.2
71.07294	5.2
79.05431	0.3
82.72985	0.2
82.80620	0.1
86.09629	52.8
87.09976	0.9
98.98395	5.1
98.99002	0.3
104.10666	3.1
108.75235	0.2
124.99966	38.0
126.00304	0.2
143.01067	1.0
153.40492	0.2
160.96301	0.2
184.07312	100.0
185.07608	1.6
233.16589	0.2
296.19025	0.2
364.63889	0.2
425.90256	0.2
451.48181	0.2
457.33304	0.2
498.52448	0.2
518.32404	0.2
778.53827	4.5
779.53748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	11.8
57.03384	2.1
61.02851	22.9
67.05417	17.5
67.36276	1.9
69.03343	3.9
69.06975	12.5
71.01247	2.2
73.02816	13.0
79.05401	12.5
81.06966	27.5
83.08530	4.9
84.77407	2.1
85.02827	47.0
91.03880	16.3
91.05407	8.6
93.06964	24.3
95.00736	3.3
95.01260	42.3
95.07964	3.4
95.08530	72.5
97.02791	23.3
99.00716	1.9
101.02300	2.0
103.03846	4.0
105.06977	22.7
107.08544	50.1
109.10100	59.0
111.08024	9.7
113.02318	3.6
117.06973	2.9
119.08528	39.4
121.10088	41.0
123.11672	20.0
127.03870	9.8
131.03360	3.2
131.08539	8.9
133.10081	37.9
134.10466	2.5
135.11630	25.8
137.13211	4.0
141.01794	100.0
143.08585	2.4
145.04922	11.6
145.10109	23.1
147.11659	24.6
149.13248	12.1
157.10094	3.2
159.02864	5.2
159.11656	21.7
161.13260	17.6
163.05972	11.7
163.14757	10.8
171.11667	2.6
173.13225	14.5
175.14796	8.0
177.16336	16.2
179.18044	2.4
184.07396	4.5
185.13231	3.8
187.14754	10.9
189.16386	11.7
191.17867	5.2
199.14742	8.4
201.16371	12.4
203.17896	13.0
213.16400	3.3
215.17885	8.5
217.19438	9.5
219.17455	3.1
227.17917	4.1
229.19487	17.2
241.19540	4.5
243.21100	2.9
253.19221	2.2
255.21004	13.0
257.22540	11.3
269.22461	5.0
271.20432	3.4
311.27206	2.4
365.32062	4.9
382.38773	2.6
405.35083	24.6
423.36169	88.9
424.36493	10.6
581.37939	11.4
599.38916	5.3
658.88232	2.4
741.07471	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	780.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	12.7
56.04973	2.8
57.07011	27.6
59.76149	0.9
64.33348	1.3
67.05078	1.7
67.05428	45.8
69.06986	14.4
71.07288	21.4
71.08549	18.0
79.05392	12.0
79.34628	1.0
81.06971	38.3
83.04917	1.1
83.08527	8.0
85.10109	7.3
86.09625	97.8
86.93070	1.0
86.93626	1.0
86.96156	1.1
87.09946	1.7
90.31664	1.0
91.05410	7.1
93.06969	8.7
95.08532	29.6
97.10121	1.8
98.98386	1.4
100.09709	1.2
105.06976	2.8
107.08576	1.9
109.10120	8.6
119.08535	1.4
121.10123	2.6
123.11680	4.6
124.99979	5.6
135.11673	1.8
137.13235	1.8
146.98154	100.0
163.01523	2.1
164.99208	4.8
184.07378	6.2
190.75925	1.3
292.43265	1.4
357.84912	1.4
575.50427	7.1
597.38818	2.0
597.48395	54.7
598.48810	6.1
721.47681	76.9
722.48114	7.6
780.54956	96.4
781.55316	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	780.553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	0.4
56.04968	0.4
58.06537	0.2
60.08097	9.9
60.73722	0.1
67.05433	1.1
69.07001	0.3
70.06510	0.2
71.06930	0.3
71.07294	4.8
71.08575	0.2
79.05422	0.8
81.06982	1.4
82.74541	0.2
86.05994	0.4
86.09630	51.1
87.09962	0.5
91.05405	0.4
93.06973	0.9
95.08536	0.8
98.98394	4.7
102.02884	0.2
104.10685	3.3
105.06971	0.2
107.08539	0.4
109.10105	0.3
116.07028	0.3
121.11311	0.2
124.99966	36.2
126.00282	0.4
143.01065	0.8
146.98177	1.4
184.07310	100.0
185.07646	2.1
359.87613	0.2
439.36771	0.2
459.24591	0.3
597.44611	1.3
609.45740	0.2
669.44354	1.1
720.45801	0.2
721.43951	1.3
780.55182	5.4
781.42291	1.7
781.54559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12842	0.1
56.04970	0.9
58.06535	0.2
60.08097	10.2
67.05414	0.2
69.72997	0.2
71.07287	6.0
81.06965	0.3
86.09629	57.3
87.09966	0.8
92.10237	0.7
97.02377	0.2
98.98399	5.1
104.10687	3.7
105.31734	0.2
124.99965	41.9
143.01038	0.8
169.98631	0.2
184.07312	100.0
185.07663	1.3
291.38287	0.2
460.59534	0.2
466.94827	0.2
780.55145	5.3
781.54932	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79773	0.3
55.05430	0.4
56.04945	0.6
60.08094	11.2
62.16200	0.3
67.05408	1.4
67.21968	0.3
69.06994	0.4
70.06501	0.4
71.07292	6.3
79.05396	0.4
81.06958	1.4
86.09625	56.3
87.04382	0.7
87.09950	0.8
95.08504	0.5
98.98389	4.9
103.63299	0.3
104.10693	3.4
108.35743	0.3
118.08578	1.9
124.99959	39.3
126.00301	0.4
143.01001	0.7
146.98132	2.1
162.43831	0.3
184.07303	100.0
185.07635	2.2
213.39604	0.4
370.02402	0.4
524.50757	0.5
597.48163	0.7
721.47089	0.7
780.55457	5.7
781.55066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	18.8
56.04973	3.4
57.03365	12.5
57.06999	2.8
62.11793	2.4
62.77989	2.6
63.93714	2.8
65.50432	2.4
67.05418	15.2
69.03368	6.1
69.06973	15.2
70.06510	54.8
71.04914	50.2
72.08073	19.6
73.02811	3.8
75.04387	11.5
79.05396	14.7
81.03371	3.2
81.06979	44.8
83.04901	44.8
83.08524	13.3
85.02353	4.5
85.02833	100.0
86.03148	2.5
86.09617	23.3
91.05412	11.4
93.06971	25.5
95.01257	48.8
95.04913	4.2
95.07958	5.1
95.08535	92.8
97.02803	7.0
99.00742	3.0
101.05935	2.6
105.06965	31.9
107.08548	58.1
109.10108	54.4
110.07112	4.9
111.04392	26.7
111.08025	12.3
113.02255	3.9
119.07885	2.7
119.08559	43.2
120.08086	25.7
121.10101	46.1
123.11656	18.6
124.99929	5.5
129.05418	14.0
131.08554	5.2
133.10077	42.7
135.11668	33.7
137.13190	4.8
139.11171	3.6
141.01817	80.8
145.10094	16.9
147.11665	32.0
147.42488	2.8
149.13219	25.2
159.02826	7.0
159.11708	22.3
161.13214	30.8
163.14769	22.7
173.13182	15.5
175.14812	22.2
175.16135	2.7
177.16286	15.2
184.07324	22.4
187.14738	16.2
189.16357	15.6
190.34160	2.7
191.14346	2.9
191.17921	5.8
199.14804	3.5
201.16338	14.9
203.17929	35.0
207.17352	4.7
213.16245	4.7
215.17928	6.8
217.19432	5.2
219.17409	6.2
221.18965	3.5
227.17926	5.4
229.19449	19.0
233.08456	3.0
247.20473	11.9
255.21153	4.2
305.08618	10.9
381.49408	3.4
405.34750	3.9
406.35242	2.9
423.36194	65.8
424.36252	5.2
441.37280	53.3
599.38647	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	782.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04976	0.5
57.03328	0.2
58.06539	0.3
60.08096	9.8
61.08419	0.2
67.05431	0.2
71.07285	5.0
81.06971	0.3
86.09626	50.0
87.09968	0.4
98.98392	4.7
104.10679	2.6
124.99962	37.5
143.01031	1.1
172.64087	0.2
184.07301	100.0
185.07637	1.2
230.18159	0.2
250.23866	0.2
520.82507	0.2
782.43964	0.3
782.56781	4.7
783.56158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	3.6
57.03365	0.7
63.40802	0.7
67.05418	8.3
69.03355	1.0
69.06986	3.6
70.06525	1.2
79.05410	5.4
80.05769	1.1
81.06959	10.7
82.36656	0.7
83.08543	1.7
84.95918	0.9
85.02818	3.5
86.09628	1.8
91.05398	3.9
93.06964	8.9
95.08530	14.8
97.02838	4.4
99.04446	0.9
101.02318	2.0
105.06950	5.6
107.08540	8.0
109.10091	7.0
119.08516	6.3
121.10107	6.0
123.11712	3.8
127.03876	13.0
131.08533	1.6
133.10100	6.0
135.11670	3.2
145.04988	1.8
145.10155	4.6
147.11700	4.6
149.13284	1.1
159.11655	1.8
161.13261	3.7
163.00008	1.1
167.03127	6.5
173.13293	1.1
175.14828	1.6
177.16383	0.8
184.07280	2.9
187.14853	1.3
189.16425	0.9
199.02202	3.2
201.16422	1.2
203.17972	1.8
217.03261	1.7
229.69040	0.7
236.96733	0.8
276.58917	0.9
306.28009	2.0
424.36865	0.9
463.35422	2.8
507.64246	0.9
607.39520	14.6
633.42950	0.9
783.42688	100.0
784.43146	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	783.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	3.1
55.05442	18.5
56.04968	4.3
57.03373	5.2
61.02858	5.2
67.05423	24.1
69.03335	14.4
69.06984	24.5
70.06506	60.8
71.01265	2.8
72.08059	13.4
72.83593	2.6
73.02840	39.0
74.95442	2.8
79.05397	17.1
81.06979	43.4
83.08537	5.5
83.35299	3.1
84.04401	12.8
84.08074	24.3
85.02831	37.0
86.09639	21.0
91.05397	14.5
93.06973	46.3
95.01254	47.2
95.07967	5.8
95.08535	100.0
97.02817	40.9
105.06977	46.2
107.07866	4.0
107.08538	66.5
109.02836	6.1
109.06487	4.1
109.10104	57.5
110.07109	18.8
111.08012	15.1
113.02283	4.9
117.06956	3.3
119.08524	47.0
120.08044	4.7
121.10112	55.9
123.07975	3.0
123.11652	19.9
124.74921	2.7
125.08688	3.0
125.09571	4.9
126.32703	3.0
127.03890	3.6
129.10184	3.4
131.08499	16.5
133.10112	54.2
135.11652	46.2
137.13234	3.9
139.11131	3.8
141.01807	99.7
143.08549	3.4
145.10103	26.7
147.11673	34.0
149.13226	28.6
157.10097	13.0
159.02853	10.5
159.11653	33.8
161.13205	28.0
163.14764	16.1
169.10234	3.9
171.11597	6.8
173.13235	24.0
175.14806	21.2
177.16327	12.0
178.83437	2.7
183.11441	4.1
184.07335	4.1
185.13222	3.5
187.14742	15.7
189.16333	17.7
191.17889	5.4
199.14867	5.1
201.16380	21.6
203.14337	4.0
203.17877	18.5
205.15881	5.6
211.14856	3.2
213.16486	4.3
215.17891	15.7
217.19389	4.4
219.17384	11.3
227.17874	5.0
231.17307	3.4
241.19356	3.9
245.18924	6.7
263.20074	3.6
266.30466	3.1
273.58038	3.3
285.07629	2.9
291.08768	3.7
381.31207	4.3
421.34515	42.5
439.35574	55.2
457.36612	65.0
597.37372	3.7
615.38367	4.7
733.98444	3.5
772.29736	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	784.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81574	1.8
55.01816	23.0
55.05449	27.8
57.03362	13.5
57.06998	9.3
60.08080	3.5
61.02860	14.6
64.44171	1.8
67.01776	9.2
67.05421	85.6
69.03343	45.9
69.06984	29.6
70.06500	15.3
71.01260	2.2
71.04913	13.4
71.08537	4.4
72.08061	7.0
73.02834	15.6
79.05397	34.5
81.03329	55.8
81.06516	4.0
81.06969	100.0
83.04910	4.0
83.08532	15.6
84.04410	2.7
85.02821	50.3
86.09616	20.7
91.03860	10.4
91.05393	21.3
92.64001	2.0
93.06973	33.9
95.04878	7.7
95.08525	68.1
97.02811	56.9
97.06444	2.8
97.10069	4.5
99.04379	63.7
99.07995	2.3
101.02316	2.9
104.10668	25.0
105.06960	21.9
107.08530	17.0
109.02836	38.5
109.06450	2.7
109.10105	23.3
110.07069	2.8
111.04374	4.6
111.08008	3.1
117.07015	3.9
119.08549	18.8
120.08030	10.8
121.10102	13.4
123.11641	12.8
124.99914	7.9
127.03868	85.5
129.07007	2.5
131.08507	7.5
132.13504	2.2
133.10094	16.0
135.11647	9.0
136.06163	1.9
137.13203	4.1
143.08571	2.0
145.04936	14.1
145.06332	1.7
145.10060	3.5
147.11626	9.4
149.13228	4.7
159.11679	2.1
161.13229	7.5
163.05972	7.4
172.95137	2.4
175.14815	3.5
177.16362	2.6
184.07278	22.2
187.14827	2.8
190.96335	3.3
239.15497	1.9
243.20872	3.2
245.22464	3.9
261.22025	8.3
263.23700	15.5
274.56247	2.0
275.23419	2.3
331.26276	3.0
341.24704	3.2
353.24628	3.3
359.25641	12.9
371.25592	12.6
378.23093	2.5
389.26688	13.2
407.27798	17.1
425.28848	48.8
518.32330	1.8
592.26910	2.4
789.16205	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	784.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	11.4
55.05455	14.9
55.12394	1.2
56.04978	1.7
57.03131	1.9
57.03377	30.7
57.07001	1.5
57.58357	1.3
59.04936	1.6
61.02858	16.6
64.30563	1.3
67.05433	22.2
69.03352	37.7
69.06992	66.0
70.06515	23.1
71.01272	5.5
71.04929	10.8
72.08067	2.5
73.02429	3.1
73.02835	88.4
79.05423	13.4
81.03340	16.5
81.06979	18.2
83.04900	3.5
83.08523	2.9
84.04420	3.4
84.08067	5.8
85.02832	100.0
87.04408	5.7
91.03894	3.0
91.05421	10.3
92.63320	1.6
93.06977	18.0
95.04900	7.1
95.08546	10.8
97.02225	2.7
97.02827	56.7
97.06467	27.8
99.04388	6.2
99.08035	11.3
103.03906	3.4
105.06973	9.0
107.04916	5.9
107.08532	10.3
109.02820	10.1
109.06480	6.4
109.10133	5.4
110.07133	2.5
111.11662	17.6
113.05952	1.8
115.03882	27.4
115.08684	1.5
117.06954	2.7
119.08525	8.0
120.08074	1.7
121.06464	2.6
121.10097	7.7
123.07932	1.8
123.11649	1.9
125.09575	3.2
127.03866	31.0
127.07555	3.5
129.10165	2.6
131.08554	3.6
133.04947	21.8
133.10094	6.8
135.08020	3.1
135.11630	2.4
136.64441	1.6
145.04939	34.7
145.10124	3.1
147.08028	1.8
147.11661	2.7
149.09601	1.7
149.13268	2.0
151.03882	1.8
153.12657	1.7
159.11668	2.4
161.09578	1.7
163.06004	14.3
165.12666	2.4
193.04845	1.6
195.13867	2.8
213.14830	9.2
217.07057	2.6
219.13748	1.8
223.06023	1.7
233.15393	2.8
241.06950	3.3
243.15770	5.4
247.07768	1.7
251.16331	15.5
259.08136	20.1
273.18518	6.1
277.09186	5.4
291.19522	29.1
295.10199	24.4
309.20557	27.7
327.21512	1.5
410.13889	1.7
440.24863	10.7
473.60751	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76780	0.1
54.81464	0.1
56.04980	0.7
58.06542	0.3
59.09848	0.1
60.08101	10.1
67.05449	0.3
69.06980	0.2
70.06510	0.2
71.07293	4.3
81.06985	0.3
86.09634	52.6
87.09964	0.7
92.10880	0.4
98.98409	4.3
104.10689	3.1
116.99503	0.2
124.99970	38.1
143.01039	0.9
159.64388	0.1
184.07321	100.0
185.07713	1.7
231.60925	0.2
257.33514	0.2
309.17075	0.2
426.56564	0.2
536.06464	0.2
784.58276	4.0
785.58179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.1642
Annotation	FAD
Peak:m/z	Relative Intensity
55.01806	0.3
56.94194	0.2
57.03366	0.5
63.86062	0.3
69.03352	3.2
69.84544	0.3
70.06496	1.3
71.04903	0.5
73.02827	0.4
76.56074	0.3
81.03332	5.7
84.04428	0.6
84.59677	0.3
85.02834	0.6
85.06673	0.3
91.74178	0.3
97.02820	8.7
98.98389	2.8
99.04392	2.8
110.07040	0.3
113.05231	0.3
117.05447	0.4
127.03871	0.4
129.10194	0.3
130.06415	0.3
136.06165	100.0
137.04587	0.7
137.06560	0.7
140.99471	0.3
149.78377	0.3
155.62842	0.3
157.07605	0.5
159.09132	2.0
172.08643	4.3
173.07088	1.2
175.08633	1.7
184.08688	0.7
185.10779	0.4
197.09401	0.6
198.06581	0.5
198.10323	1.6
199.12347	0.5
200.08130	0.4
210.10301	1.2
211.11034	0.3
214.09711	1.5
216.07625	2.9
224.11772	1.6
226.09695	0.6
229.08459	0.5
236.11877	0.5
243.08733	6.8
250.09247	2.3
252.11259	0.4
254.12830	0.7
323.11310	0.6
334.09464	1.4
339.79886	0.3
341.12473	4.4
348.06982	25.1
349.07147	0.5
359.13522	5.0
396.09570	3.7
404.98010	0.3
414.58398	0.3
419.15143	0.7
421.09103	3.0
428.03506	0.7
439.10025	15.4
479.91458	0.3
662.92285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81812	0.2
55.05456	1.2
56.04976	3.1
57.03382	0.3
58.06535	0.9
65.03861	0.3
69.03332	0.3
69.66351	0.2
70.06505	2.4
72.08070	17.2
73.08403	0.2
74.05991	10.0
79.05392	0.2
82.06503	0.3
84.04430	4.4
84.08055	2.4
85.03954	11.9
91.05402	18.0
99.09161	0.4
99.61717	0.2
100.07535	0.4
101.07083	0.4
102.05455	0.3
106.49237	0.2
106.76171	0.3
107.04898	11.6
108.08102	0.3
109.06490	0.3
110.07104	0.5
111.05554	0.3
113.07069	0.3
117.05648	0.2
117.06980	0.4
118.06488	6.0
119.04891	14.7
121.06444	3.2
121.98264	0.2
122.05953	0.5
125.07058	0.4
127.08633	2.1
129.06575	1.3
129.10191	1.2
130.04979	1.1
130.06499	5.7
131.04846	0.3
132.08055	6.2
134.05981	0.3
135.06735	0.5
136.07553	84.8
137.05975	1.1
137.07916	2.4
139.08640	1.3
141.06595	1.2
142.06516	1.7
143.07288	0.5
144.08066	7.2
146.05986	100.0
147.04414	1.7
147.06335	3.2
148.07556	2.0
153.06523	0.2
154.06471	0.9
156.08038	0.4
157.07565	0.3
158.06013	0.5
158.08438	0.3
158.09628	0.2
159.09145	12.6
160.07567	1.9
163.07469	0.3
163.08673	2.1
164.07045	1.4
165.10222	0.3
167.11794	0.3
169.06148	0.4
169.07564	4.8
170.05989	6.9
171.09137	3.1
172.07585	0.2
174.05476	5.9
174.09088	0.5
175.07465	0.3
176.07013	1.4
181.07541	0.3
181.09695	1.7
182.05977	0.5
183.09088	0.3
183.11267	0.4
185.07108	1.0
185.10603	0.3
187.08650	0.5
188.07030	43.0
189.07333	0.9
190.04956	0.4
191.08119	8.4
192.06491	1.0
192.10156	4.5
193.09731	0.3
195.07602	2.0
197.07031	0.5
197.10661	1.1
199.08772	0.4
200.10612	0.3
202.08575	1.7
203.08115	0.5
205.09685	14.3
206.10071	0.3
215.08134	5.2
217.09695	0.9
217.13275	0.9
225.10130	1.2
225.13899	0.4
227.11739	0.5
229.09726	1.6
235.14288	1.0
237.12335	2.0
243.11079	0.3
245.09061	1.2
245.12804	10.0
247.10762	0.5
253.13168	1.2
257.08932	0.4
260.10519	0.2
260.13712	0.8
265.11798	3.4
269.12778	0.3
270.12164	0.3
270.15936	0.3
272.09760	0.2
273.12289	20.1
274.12512	1.1
275.10138	1.3
280.13998	0.3
281.12604	1.2
286.15323	0.4
288.13568	0.8
290.14944	6.4
292.09259	0.2
301.08652	0.4
301.11761	5.5
306.10992	0.5
306.14423	12.6
307.14755	0.3
314.14920	3.1
316.12842	0.5
318.14264	1.5
328.16571	0.3
342.14175	1.3
346.17688	0.2
356.15747	1.2
374.16824	1.9
384.15564	2.0
402.16498	3.2
422.00241	0.3
436.18588	2.9
451.19333	0.9
453.21033	1.5
465.82147	0.3
469.20352	1.1
481.20825	4.6
482.20422	0.3
505.20279	0.5
536.24280	0.3
537.22955	0.3
542.23541	0.5
544.24487	0.3
554.25366	1.0
560.24176	0.4
562.26178	0.5
564.24139	1.4
578.26013	0.4
582.17407	0.3
582.25397	4.6
588.24341	4.2
589.24023	0.3
606.24701	1.2
758.34631	0.3
768.32391	1.3
786.32513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81923	0.5
55.05437	2.5
57.06999	0.5
59.06042	2.4
60.05582	17.5
60.08093	9.9
62.90389	0.4
66.26713	0.4
67.05111	0.6
67.05426	8.0
69.06975	2.3
71.07279	5.5
74.09623	1.0
79.05408	4.0
79.28803	0.5
79.68513	0.4
81.06980	6.4
86.09622	52.3
87.09956	1.1
91.05413	3.4
93.06977	4.3
95.08545	4.8
98.98396	4.3
104.10691	3.8
105.06932	0.9
107.08526	2.0
109.10107	1.1
111.21091	0.5
119.08514	1.0
121.10102	0.9
123.43288	0.5
124.93716	1.0
124.99958	35.6
143.01003	0.6
159.12663	0.6
160.65665	0.5
184.07300	100.0
185.07661	2.3
186.07632	0.6
195.00238	2.1
306.27948	0.9
308.60287	0.5
308.85306	0.6
428.79733	0.5
448.66275	0.6
541.30597	0.5
597.48706	7.2
598.48456	0.6
650.95184	0.5
768.54962	2.3
786.52417	7.1
787.41248	0.8
787.54547	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01816	3.0
55.05449	32.1
57.03362	4.3
57.07007	11.0
57.08881	2.1
60.08071	2.9
62.52036	2.0
65.03864	3.2
67.05077	3.6
67.05425	100.0
67.08196	1.8
69.06989	23.4
71.04912	2.9
71.08545	17.3
75.21722	2.1
75.66093	2.1
79.05402	67.4
81.03338	5.2
81.06966	59.8
83.04907	3.5
83.08521	12.7
85.06432	3.3
85.10119	2.8
86.09626	25.3
91.05405	48.9
93.06441	3.6
93.06976	67.0
95.04880	16.7
95.08537	44.1
97.06475	3.5
97.10110	9.4
98.05934	2.3
98.98409	2.7
99.08016	5.1
101.69509	2.7
102.60425	2.1
103.05401	2.3
105.06480	2.0
105.06986	31.7
107.08527	34.5
109.10117	27.7
117.06938	5.8
119.08556	18.9
121.10097	17.5
123.11582	3.0
124.99958	11.6
125.09579	3.6
127.21671	2.4
129.06973	2.6
131.08517	13.8
133.10072	15.4
135.11679	10.5
145.10139	4.4
147.11632	5.2
149.02304	11.5
149.13271	4.8
151.11125	4.3
161.13177	5.0
163.11208	4.2
163.14752	2.6
180.13768	3.1
184.07298	46.5
193.04970	4.2
196.13318	4.7
277.21579	5.4
353.80206	2.5
380.22150	2.4
429.31793	3.7
489.35367	28.0
529.38824	30.3
584.91290	2.6
599.50336	3.8
611.46564	74.5
612.46735	5.7
629.46979	21.8
652.39386	10.3
752.47455	3.8
771.17877	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	788.543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	3.3
57.07002	0.8
57.73877	0.6
60.05580	1.5
60.08097	10.2
67.05428	10.1
69.06979	1.5
71.07285	6.7
72.17404	0.8
74.09653	1.1
76.14314	0.7
79.05401	3.5
81.06979	10.4
83.08543	1.0
86.09627	54.2
87.09976	1.3
91.05417	3.2
93.06967	3.3
93.66649	0.7
95.08526	6.1
98.98412	6.6
103.07584	0.7
104.10687	3.2
105.06995	1.3
107.08543	1.2
109.10101	1.5
109.89910	0.7
120.81306	0.7
124.99960	39.2
133.10043	1.1
143.01038	0.9
161.13277	0.9
184.07304	100.0
185.07687	4.4
197.10909	0.9
255.05649	0.7
294.57394	0.7
315.05118	0.7
534.38843	0.8
599.50281	12.1
600.50037	1.3
788.53961	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	788.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	0.2
56.04972	0.4
57.07005	0.2
58.06532	0.3
60.08097	8.9
60.38870	0.2
64.33787	0.2
67.05421	0.9
71.07287	4.1
79.05416	0.7
80.14700	0.2
81.06960	0.8
86.09631	45.0
87.09960	0.8
91.05408	0.2
92.76608	0.2
95.08540	0.4
98.98398	3.9
101.85795	0.2
104.10684	3.2
107.08606	0.3
109.10102	0.3
124.99970	32.2
126.00182	0.2
143.01091	1.2
183.80139	0.2
184.07318	100.0
185.07599	1.7
201.37923	0.2
251.31438	0.2
387.64087	0.2
599.49927	0.9
752.51263	0.8
770.53430	4.0
771.52533	0.4
788.54175	2.9
789.53979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	0.1
56.04965	0.7
57.06987	0.2
58.06516	0.4
60.08099	9.7
66.92991	0.1
67.05415	0.3
69.06962	0.2
71.07291	4.8
71.08517	0.1
79.05417	0.2
81.06948	0.2
86.09631	49.4
86.53635	0.1
87.09958	0.7
93.06979	0.2
95.08534	0.2
98.98399	4.0
104.10683	3.3
108.99236	0.1
116.99430	0.1
124.99967	36.3
126.00286	0.1
143.01031	1.0
184.07315	100.0
185.07642	1.9
293.70877	0.1
383.24167	0.1
496.34134	0.2
650.44189	0.2
690.47394	0.2
704.95172	0.1
730.50317	1.1
752.52411	0.5
770.53577	0.7
788.54602	6.0
789.55341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01816	0.5
55.05444	0.7
55.41848	0.1
57.03356	0.5
57.48379	0.1
61.02853	0.2
64.84200	0.1
66.06828	0.1
67.05429	1.1
69.03002	0.2
69.03350	2.9
69.06963	0.2
69.91530	0.1
70.06526	0.2
71.04908	0.7
73.02818	0.7
79.05408	1.3
81.03335	2.3
81.06973	1.1
83.04900	0.7
84.04436	0.2
85.02346	0.2
85.02831	5.3
91.05396	1.2
92.85135	0.1
93.06956	0.5
95.04892	1.3
95.08530	0.6
97.02823	20.6
97.06464	0.6
98.03161	0.2
99.04385	5.0
103.03873	3.9
105.06963	2.0
107.04892	2.5
107.08549	0.9
109.02829	2.7
109.06456	1.0
109.10107	3.3
110.07041	0.1
111.04404	0.8
115.03864	0.2
117.06955	0.5
118.88298	0.1
119.08512	1.1
121.06475	0.5
123.04388	0.3
123.08019	0.2
125.05950	0.5
127.03876	100.0
128.04198	2.2
128.06163	0.3
129.06926	0.5
129.10188	0.2
131.08534	0.5
133.06482	0.6
133.10086	1.1
135.08011	0.7
137.05896	0.2
137.09589	5.0
137.10582	0.3
143.08559	2.0
144.73724	0.1
145.04944	2.3
145.06415	0.2
146.07211	0.2
147.08008	1.5
147.42969	0.1
151.07469	0.2
157.88754	0.1
159.07957	0.2
159.11720	0.1
161.05934	0.2
161.09584	7.9
161.10939	0.3
162.09973	0.2
163.06013	0.7
163.07504	0.2
165.09077	4.0
165.10368	0.2
169.08678	0.1
177.05383	0.1
177.09041	0.2
179.10597	0.7
187.06020	0.5
187.11102	0.3
188.08311	0.1
189.09103	0.5
207.10139	2.1
211.11098	0.2
215.10641	0.5
225.11163	0.9
229.07166	0.1
239.10738	0.2
257.11679	0.5
260.00821	0.1
261.11188	0.2
271.08142	0.5
275.12851	1.1
285.11127	0.2
289.09229	0.2
303.12207	0.9
308.04202	0.1
321.13300	0.3
357.15366	0.7
433.13394	3.6
434.13544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97318	0.1
56.04971	0.8
58.06528	0.3
60.08094	9.3
62.09243	0.1
62.65350	0.1
67.05411	0.1
67.45024	0.1
70.06474	0.1
71.07287	5.2
76.56402	0.1
83.81760	0.1
86.09625	49.5
87.09959	1.4
98.98393	4.4
102.44943	0.2
104.10677	3.7
124.99958	34.6
126.35159	0.1
139.02724	0.1
143.01042	0.7
155.17848	0.2
156.93520	0.2
169.35358	0.1
181.59456	0.1
184.07300	100.0
185.07681	1.9
233.11571	0.2
524.69171	0.2
650.43915	1.0
690.47296	1.4
741.57074	0.2
772.54187	1.1
790.55750	5.6
791.55615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04967	0.3
57.06989	0.1
58.06528	0.3
59.54420	0.1
59.63288	0.1
60.08094	9.6
64.04353	0.2
66.00140	0.1
67.05418	0.3
69.06983	0.2
71.07288	4.4
79.05392	0.1
79.71817	0.1
81.06945	0.2
83.38332	0.1
86.09627	47.4
87.09957	1.8
89.84946	0.1
93.06955	0.2
95.04906	0.2
95.08538	0.2
98.98397	3.9
104.10677	3.5
109.10094	0.2
116.99436	0.2
124.38506	0.1
124.99961	34.0
126.00291	0.3
143.01028	1.1
166.02625	0.2
178.81956	0.2
184.07304	100.0
185.07693	2.9
186.07756	0.9
772.54004	0.7
790.55652	9.0
791.56628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04973	0.7
58.06529	0.3
60.08096	8.9
65.86493	0.1
66.10319	0.1
67.05440	0.2
70.06510	0.1
71.07290	5.1
79.51284	0.1
81.06970	0.1
86.09630	46.1
87.09967	0.8
92.10098	0.2
95.08536	0.2
98.98405	4.1
104.10686	3.6
114.48726	0.1
124.99966	32.3
126.00273	0.2
140.75317	0.2
143.01035	0.9
184.07312	100.0
185.07645	1.7
247.67868	0.1
727.88416	0.2
772.54681	4.7
773.54620	0.7
790.55524	3.4
791.54926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51885	0.1
56.04977	1.0
58.06541	0.3
60.08097	9.4
61.08435	0.2
70.06518	0.1
71.07290	4.7
81.06995	0.1
86.09629	49.4
87.09967	0.6
95.08559	0.2
98.98399	4.4
104.10674	3.9
116.99468	0.2
120.42867	0.1
124.99966	35.1
143.01018	0.8
184.07310	100.0
185.07635	1.7
220.49129	0.1
230.66649	0.2
336.79742	0.2
650.43140	0.7
772.42908	0.2
772.54694	3.1
773.54376	0.5
775.60699	0.2
790.43268	0.2
790.55798	4.7
791.55377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04960	0.7
58.06512	0.2
60.07787	0.3
60.08094	9.7
67.05414	0.2
71.06897	0.2
71.07288	5.2
81.06971	0.3
81.84716	0.2
86.09625	49.4
87.09951	0.8
93.07001	0.2
95.08514	0.2
98.98395	4.4
104.10674	4.3
123.58903	0.2
124.00597	0.2
124.99960	36.6
126.00272	0.3
129.03767	0.1
129.65877	0.1
138.62735	0.2
143.01064	0.7
149.37099	0.2
184.07304	100.0
185.07607	2.0
217.11147	0.2
226.32153	0.2
288.13733	0.2
299.66074	0.2
325.22525	0.2
636.38074	0.2
772.54523	4.4
773.54639	0.7
790.55701	9.2
791.56689	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04970	0.9
57.00190	0.7
60.08101	10.0
67.05421	1.2
71.07284	5.2
86.09628	53.5
87.09966	1.1
91.05464	0.8
95.08521	1.0
98.98378	5.4
104.10663	3.5
117.38577	0.9
124.99963	40.1
143.01091	0.9
146.84767	0.7
184.07300	100.0
185.07602	1.6
195.00255	3.8
218.93710	0.9
380.49597	0.7
421.10794	0.9
660.31030	0.8
792.50946	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	792.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05426	0.2
56.04975	0.7
57.04185	0.2
58.06533	0.3
60.08099	9.7
67.05425	0.9
70.06472	0.2
71.06937	0.2
71.07293	4.5
79.05417	0.4
81.06976	0.3
86.09630	52.7
87.09987	1.0
91.05414	0.4
93.06975	0.3
95.08530	0.3
98.98402	4.4
104.10682	3.8
105.49988	0.2
124.99968	34.7
126.00327	0.4
143.01035	1.3
184.07314	100.0
185.07631	2.6
219.17459	0.2
248.66774	0.2
291.34927	0.2
392.70694	0.2
440.20078	0.2
613.47253	0.2
653.74200	0.2
657.48639	0.2
792.51538	6.8
793.52490	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03368	0.5
60.08091	11.0
64.23875	0.4
67.05412	1.0
71.07285	6.2
79.05391	1.1
81.06963	0.6
82.92318	0.5
86.09627	57.3
87.09960	2.1
92.53330	0.5
93.06957	1.9
98.98405	4.6
104.10664	4.6
105.06942	0.6
109.10088	1.0
117.03275	0.5
124.99954	38.6
137.50931	0.5
143.01041	1.0
145.56204	0.6
149.99677	0.6
152.81033	0.5
172.43745	0.6
184.07294	100.0
185.07661	4.7
186.07751	0.9
188.15067	0.6
191.04138	0.5
213.24191	0.5
445.17752	0.5
599.06311	0.6
609.44281	0.8
791.55957	0.7
792.51398	8.2
793.51428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85339	2.6
57.03362	4.9
57.07017	4.1
60.08083	3.3
61.02845	4.1
61.93207	2.4
67.05424	32.4
69.03344	7.3
69.06983	22.3
73.02829	21.5
79.05399	18.1
81.06978	47.1
83.08530	15.9
85.02811	20.7
86.09614	21.1
91.05378	6.6
93.06957	38.5
95.01251	37.5
95.08531	100.0
97.02834	16.6
97.10094	5.0
102.41785	3.1
102.62369	2.9
105.06967	42.0
107.07856	5.3
107.08533	73.0
109.10094	55.6
111.08043	15.1
115.03825	3.6
119.08543	44.4
121.10105	49.5
123.11640	25.9
124.99952	13.4
128.06087	3.3
131.03406	3.9
131.08495	12.2
133.10100	43.4
135.11668	35.0
137.13193	5.5
141.01781	83.4
145.10063	22.2
147.11641	33.9
149.13231	26.5
159.11664	33.4
161.13217	23.5
163.14783	13.0
171.11601	6.3
173.13156	21.6
175.14790	17.3
177.16350	19.4
184.07312	42.9
185.13213	6.3
187.14778	19.5
189.16360	25.9
191.17874	5.2
199.14778	6.9
201.16367	27.6
203.17957	34.3
211.14711	3.2
213.16360	4.3
215.17886	12.3
217.19580	13.6
227.17816	12.2
229.19470	15.3
241.19386	6.7
243.21040	13.3
255.21045	5.0
257.22455	5.8
269.22519	11.5
275.30493	3.7
278.13858	2.9
295.24164	3.1
308.29333	14.6
405.35019	18.0
423.36163	97.5
449.37814	3.6
581.38861	5.7
764.05896	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	794.38
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80073	0.2
57.03360	1.2
57.07012	2.7
57.83501	0.3
61.02851	1.2
61.80192	0.2
67.05075	0.4
67.05424	8.4
69.03354	3.0
69.06985	2.6
70.06510	0.7
71.04908	8.4
72.08052	0.5
73.02808	0.4
79.05401	7.2
81.03335	1.5
81.06971	1.5
83.04890	2.2
84.04443	0.3
85.02436	0.3
85.02826	12.8
85.06467	57.5
87.04391	0.6
91.03854	0.4
91.05411	5.6
93.06973	8.0
95.04877	2.0
97.02811	3.4
97.06458	1.6
99.04373	0.7
99.08035	2.5
105.06969	8.0
107.04898	4.3
107.07866	0.6
107.08539	11.1
109.02834	1.2
109.06467	2.1
109.21247	0.3
111.04398	6.7
113.05973	0.4
117.06947	2.8
119.07761	0.6
119.08533	8.5
121.06461	7.1
121.10092	10.3
123.04393	0.4
123.07999	0.5
125.05972	3.3
127.03895	2.1
129.06985	2.8
130.07718	0.5
131.08534	39.1
132.08885	1.2
133.10124	0.7
135.08028	0.6
135.11653	2.6
137.05930	0.7
137.09604	4.0
139.07542	0.4
139.30960	0.3
141.05418	0.4
143.06989	0.6
145.04913	1.6
145.06374	0.5
145.10103	16.6
146.10550	0.4
147.08029	3.1
147.11656	0.6
149.05994	1.2
149.09593	37.9
150.09923	1.6
153.05402	2.0
155.06969	1.9
155.08357	0.6
163.07483	1.4
163.11143	14.3
164.11508	0.4
165.09073	6.2
167.07022	0.7
167.10646	20.4
173.09583	5.1
177.05350	0.3
179.10614	1.9
181.12175	0.5
191.10632	37.3
192.10948	1.4
196.14717	0.3
197.11723	0.6
207.12172	0.3
209.11690	41.7
210.11996	1.4
227.12741	100.0
228.13087	3.9
287.49612	0.3
312.88348	0.3
370.32840	0.3
389.17825	0.5
406.20758	2.2
454.84985	0.3
489.28210	0.4
514.79010	0.3
653.82550	0.3
694.18140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04982	0.4
56.96511	0.2
57.03373	1.4
65.03864	0.3
67.05437	1.1
67.61120	0.3
69.03348	0.5
69.06979	3.5
70.06505	2.9
71.04903	7.4
74.42941	0.3
79.05404	7.7
81.06970	1.6
83.04902	1.8
84.04430	1.3
84.08070	0.7
85.02826	1.2
86.09606	0.4
91.05402	6.4
93.06965	8.1
95.04888	1.8
97.06478	1.3
99.04410	0.3
102.05493	0.4
105.06974	6.9
107.04896	4.1
107.08531	16.0
109.06480	1.1
109.10164	0.3
110.07117	1.1
117.03303	0.3
117.06958	1.9
119.04893	1.5
119.08518	3.0
121.06453	13.6
121.10091	8.5
123.08025	0.6
125.05941	1.7
129.06956	0.6
129.10175	0.5
130.07706	0.4
131.08525	68.9
132.08853	1.6
134.98468	0.4
135.07986	1.1
135.11635	1.5
136.07558	0.6
137.05911	0.3
139.07497	0.5
141.05417	1.3
143.08630	0.3
145.02803	0.7
145.10095	16.8
147.04355	0.6
147.08009	2.1
147.11667	1.2
149.05968	1.1
149.09586	30.9
150.09950	0.4
151.07504	0.5
153.05402	4.4
155.06967	0.6
161.89398	0.3
163.11145	11.5
164.11530	0.3
165.09062	2.0
167.07005	2.0
167.10638	1.8
173.09592	2.0
175.03882	1.1
177.05455	1.4
181.04913	1.8
191.10617	21.1
207.06520	1.6
209.11679	100.0
210.12004	3.2
255.06343	0.4
283.08292	1.4
289.13098	0.3
802.66040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04969	0.9
58.06520	0.4
60.08093	9.3
60.59867	0.1
65.85728	0.1
67.05434	0.3
69.06968	0.1
70.06522	0.2
71.07288	5.2
72.07607	0.1
79.05411	0.3
81.06965	0.2
86.09623	50.9
87.09965	0.8
91.05407	0.2
92.10185	0.2
93.06976	0.3
95.08488	0.2
98.97749	0.2
98.98390	4.4
104.10675	3.1
107.08579	0.1
121.10100	0.2
124.99959	37.4
126.00323	0.2
127.29585	0.1
143.00989	1.0
176.39380	0.1
184.07295	100.0
185.07626	1.8
186.25237	0.1
212.32803	0.1
249.07933	0.2
271.78598	0.2
523.62286	0.1
653.47131	0.2
776.52014	6.6
777.52203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04969	0.8
57.84946	0.1
58.06518	0.3
59.07296	0.1
60.08097	9.5
67.05415	0.4
70.06506	0.1
71.07291	5.2
77.36757	0.1
79.05414	0.1
81.06950	0.2
86.09631	53.9
87.09452	0.1
87.09948	0.9
91.05397	0.1
93.06940	0.1
95.08517	0.1
98.98399	4.9
104.10683	3.6
124.99968	38.7
126.00292	0.1
143.01018	0.8
166.02660	0.1
184.07314	100.0
185.07677	1.7
245.80043	0.1
250.59969	0.1
268.22330	0.1
441.02090	0.1
794.53210	7.3
795.53235	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04963	0.6
58.06523	0.3
60.08099	9.4
67.05415	0.2
71.07292	4.5
72.42738	0.1
74.88593	0.1
86.09630	49.3
87.09490	0.1
87.09937	1.2
98.98400	4.6
104.10683	3.1
111.20849	0.1
124.99964	36.0
126.00312	0.1
127.11691	0.1
140.29932	0.1
143.01027	0.8
162.89647	0.1
184.07314	100.0
185.07695	1.7
194.25322	0.2
213.36247	0.1
287.80243	0.1
380.92480	0.1
668.76874	0.2
732.46716	0.1
794.53229	7.5
795.53754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04978	7.3
57.03364	1.3
60.04456	2.0
67.05424	1.5
68.04970	1.2
69.03345	1.8
69.06988	5.7
70.06509	49.4
71.04889	1.0
71.06851	2.0
72.08076	5.6
74.05990	4.7
75.04409	1.7
81.03331	1.3
81.06966	1.5
82.06490	1.2
83.06011	2.0
84.04430	21.4
84.07595	2.1
84.08066	35.3
85.02826	5.4
85.08401	1.6
86.06010	0.9
86.09621	11.3
91.05408	6.3
93.04480	1.7
93.06974	1.1
94.06501	5.4
95.06047	1.5
95.08520	1.8
101.07081	4.0
102.05489	4.3
104.05319	1.0
105.06989	1.1
105.77061	0.9
106.06481	1.2
108.08073	1.5
109.10046	1.0
110.07110	22.5
112.07543	1.6
112.08656	1.7
115.08662	1.0
119.04891	1.8
120.08051	5.0
122.05992	16.0
127.03863	1.9
129.06573	1.1
129.10205	15.4
130.04948	1.2
130.10670	1.4
134.06007	2.2
134.70007	1.1
134.74983	1.5
136.07564	25.0
137.07813	1.4
138.05563	1.1
139.08667	1.2
140.07037	16.1
144.04480	1.9
146.06020	10.7
146.09622	1.0
148.07547	11.3
150.09143	1.2
152.07010	2.5
164.07008	11.6
166.08591	14.1
172.03902	7.3
174.05510	6.7
176.06996	14.2
181.04836	1.3
190.04927	5.4
191.05676	1.5
204.06519	11.5
211.12215	1.2
221.10638	1.3
223.12286	1.9
224.13080	1.0
225.10205	7.6
226.65723	1.0
227.11765	1.1
235.08636	1.4
235.12317	2.0
236.09360	1.2
237.10162	11.3
237.13756	2.3
238.10876	10.4
239.11754	15.6
248.09415	2.2
249.10118	5.7
250.10962	6.2
251.11732	22.0
252.12404	1.8
253.13345	5.8
255.06499	4.6
263.11722	20.8
264.08731	1.4
264.12445	4.2
265.09738	8.2
265.13315	46.7
266.10410	4.7
266.13950	4.3
267.11111	7.5
267.14517	1.0
268.12018	1.3
271.14279	4.7
277.09875	1.7
277.13272	1.7
278.10519	2.1
279.11224	100.0
280.11911	10.2
281.12769	7.1
283.10687	4.0
283.14075	1.3
284.11652	1.6
285.12326	1.8
287.13876	6.4
291.11176	8.7
292.11722	1.8
293.12866	15.6
294.13538	1.6
295.10736	6.6
295.14047	1.4
296.11319	2.2
297.12274	48.8
298.12888	8.3
299.14001	1.4
309.08694	2.0
309.12283	50.6
309.15704	1.9
310.12994	18.0
311.13858	13.5
313.11743	1.9
319.10748	7.8
320.11374	1.5
321.12326	9.5
322.13055	1.2
324.10941	1.7
325.11737	4.4
331.12851	1.6
337.11758	60.8
338.12476	23.6
339.13339	67.8
340.13828	5.9
353.14822	4.6
369.14374	13.0
370.15106	2.0
371.15924	24.4
372.16589	1.4
399.15442	1.1
400.16431	1.9
411.15173	1.7
413.16650	4.6
438.20251	1.3
442.17517	4.8
455.18176	1.5
460.18564	24.1
461.19046	1.8
468.44934	1.1
471.17853	1.2
473.18900	4.2
478.19745	16.5
480.20996	2.4
483.17249	1.9
496.20874	1.5
501.18558	1.3
510.22235	19.4
511.22562	2.4
515.19916	5.4
531.19312	2.0
533.21289	6.2
534.22540	1.3
586.21869	1.8
601.26508	64.1
602.26678	10.1
618.24274	3.8
633.29108	20.8
636.25012	6.8
640.24988	1.8
647.76038	1.2
654.26300	6.0
712.71735	1.2
745.29639	1.4
763.31464	1.6
764.72754	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48118	0.4
60.04781	0.5
60.84272	0.5
62.95597	0.5
66.11447	0.5
67.05433	2.1
68.04932	0.5
69.03351	1.1
69.06981	2.4
70.06508	6.4
72.08082	0.9
73.02802	0.7
74.05969	0.8
79.05398	1.1
81.03337	1.1
81.06969	3.2
82.06505	0.7
82.20287	0.6
83.04951	0.6
84.04422	2.7
84.08083	4.6
85.02820	2.6
85.94237	0.5
86.09631	3.1
88.05859	0.5
91.05424	1.1
93.05675	0.7
94.02819	0.7
94.06500	4.1
95.04919	1.3
95.08525	0.7
97.02827	2.6
105.06947	0.9
106.06494	0.7
107.07390	0.6
108.08063	2.0
110.05949	0.6
110.07140	1.2
112.03915	5.8
112.07510	0.9
115.47874	0.5
119.04904	0.6
119.08549	0.7
120.04398	0.9
120.08060	0.9
122.05986	12.3
123.04399	0.7
124.07558	6.9
126.05444	0.5
126.09041	0.5
129.10168	3.0
134.05974	2.3
136.07553	19.2
138.05460	1.1
140.07039	32.3
142.08591	0.7
144.04440	1.2
144.08044	0.7
146.05981	14.0
146.09613	2.1
148.07550	7.0
150.09212	1.2
152.07059	2.8
162.05460	1.0
164.07036	13.2
166.08607	8.2
172.03903	13.6
174.05446	7.5
174.09070	1.2
176.07028	15.9
177.07350	0.5
187.08548	0.8
190.04939	7.6
192.06532	1.3
197.10728	0.8
204.06491	17.3
206.08124	3.4
208.09914	0.6
209.10739	1.1
210.11447	1.1
211.12250	3.2
218.08084	0.9
221.10735	1.1
222.11496	0.9
223.12297	2.6
224.12915	0.7
225.10202	5.3
225.13782	0.8
227.11786	0.8
235.08676	0.9
235.12239	3.7
236.09178	0.7
236.12973	2.3
237.10162	11.4
237.13849	2.8
238.10925	14.4
239.11719	12.8
240.12006	0.7
247.12389	0.6
248.09334	4.7
249.10088	5.8
249.36974	0.5
250.10919	5.8
251.11719	15.7
252.12389	2.6
253.13329	3.4
255.11140	0.9
262.10977	2.0
263.11740	20.3
264.08932	1.2
264.12424	5.6
265.09747	7.8
265.13309	33.1
266.10452	2.6
266.13617	1.9
267.11200	4.5
269.12833	0.9
271.10818	0.8
271.14340	4.2
275.11752	1.0
277.09613	4.3
277.13303	2.9
278.10431	3.9
279.11203	100.0
280.11765	10.8
281.12769	3.7
282.13483	2.2
283.10651	1.4
283.14377	2.2
285.12222	2.3
287.13791	2.9
291.11151	8.2
292.11816	2.3
293.12665	7.7
294.13446	2.4
295.10696	9.7
295.14398	2.6
296.11554	3.7
297.12259	56.9
298.12869	7.3
299.13669	1.3
309.12265	50.5
310.12988	19.8
311.13773	7.1
313.11743	2.3
319.10690	6.7
320.11566	0.8
321.12274	9.4
324.10947	2.0
325.11719	4.1
331.12866	3.1
337.11752	61.6
338.12451	23.3
339.13315	56.4
339.16711	1.0
340.13644	4.9
345.14453	5.1
355.12463	0.8
365.10263	0.7
369.14334	13.2
370.15027	4.2
371.15930	21.9
372.16489	1.1
385.13809	0.8
386.14600	0.7
400.16504	2.4
402.17719	0.8
418.17026	0.7
442.17276	2.2
449.18988	1.2
450.20291	0.7
460.18619	23.6
461.18796	2.0
475.17041	8.6
476.17538	0.8
478.19623	8.6
493.17883	0.7
510.22104	2.0
600.24408	1.0
601.26459	28.3
602.26331	2.9
618.21857	0.7
633.28827	1.0
640.24921	26.1
641.25354	5.9
642.25964	1.4
672.27594	15.7
673.27637	2.1
763.18652	0.9
763.31604	21.3
764.31561	3.3
795.33923	5.2
796.33411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04978	2.8
60.04469	1.3
69.03336	1.5
69.06965	2.0
70.06142	1.8
70.06509	31.4
72.08067	2.2
74.05988	1.5
81.06947	1.8
83.05988	1.6
84.04442	11.3
84.08073	14.5
85.02830	1.9
86.09621	3.0
91.05391	2.0
94.06498	2.2
95.08523	7.0
97.02798	3.3
106.06512	1.8
108.08073	8.0
109.10114	1.5
110.07124	10.3
112.08711	1.3
119.08546	1.9
120.08025	5.9
122.05965	10.6
127.03886	2.8
129.10194	9.0
133.10052	1.6
136.07558	7.4
140.07037	7.5
141.01779	2.8
146.05984	6.2
148.07555	8.1
152.06912	2.4
162.09178	1.6
166.08588	2.1
172.03902	7.0
174.05464	3.4
176.07054	5.5
204.06493	7.2
208.09776	2.8
223.12267	2.9
225.13718	1.5
235.12260	1.8
237.10187	8.3
238.10883	2.6
239.11713	15.3
240.12282	1.9
249.10138	5.6
250.10907	2.3
251.11697	20.5
252.12421	3.2
253.13350	16.5
254.13911	1.8
263.11661	18.7
264.12378	3.7
265.09662	6.5
265.13278	24.2
266.14148	6.9
267.11142	6.4
277.09799	2.1
277.13507	1.6
278.10461	6.7
279.11209	100.0
280.11728	10.2
281.12756	11.7
291.11179	7.2
292.11948	3.5
293.12781	12.2
294.13412	2.8
295.10596	2.3
295.14154	1.8
297.12296	9.6
309.12228	8.8
310.12729	14.3
311.13705	12.9
313.15237	3.3
319.10577	3.4
321.12292	12.4
325.11862	1.9
328.13602	1.6
337.11649	1.7
339.13199	14.9
351.13300	2.6
353.14966	2.2
367.71573	1.9
369.14481	2.5
371.15787	2.1
381.14203	5.7
411.15082	1.9
413.16299	1.7
414.17502	1.6
417.80658	1.5
421.34732	2.5
439.15137	2.0
439.35571	3.4
441.16309	8.4
443.17639	1.9
453.16586	2.3
455.18332	6.1
459.17535	3.2
460.18484	1.5
465.16943	1.6
471.17389	5.7
472.17975	2.2
481.15952	9.3
482.16440	5.7
483.17450	9.0
499.16995	16.5
500.17441	6.3
501.18930	13.8
502.19266	1.8
513.18408	2.5
515.20343	2.7
531.19574	6.8
533.20850	7.4
535.23315	1.5
596.25537	3.0
604.22479	7.2
622.23773	22.7
623.24054	2.9
640.25031	29.8
641.25262	5.6
654.25793	8.0
672.27350	8.7
709.28571	2.2
720.83881	1.5
727.28986	1.7
745.30676	12.6
750.81183	1.8
763.30872	8.2
795.33063	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	795.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03366	4.3
57.07014	2.2
57.18600	2.1
60.10181	2.6
61.02857	34.6
67.05436	12.9
69.03355	2.9
69.06977	10.9
69.74899	2.4
70.06508	14.9
71.25502	2.5
72.08064	5.8
73.02824	15.9
76.55873	2.3
79.05396	5.6
80.01215	2.5
81.06969	27.5
83.08533	4.7
84.08066	19.4
85.02829	47.1
86.09618	11.6
91.03900	29.1
91.05397	11.3
93.06984	35.7
95.01261	51.9
95.08530	70.3
97.02843	27.3
97.06445	4.0
99.00764	3.0
102.19143	2.3
105.06969	22.1
107.08537	47.4
109.10114	33.7
111.08044	3.4
113.02305	6.2
119.08534	40.1
120.08085	4.1
121.10104	36.6
123.11648	17.4
127.03882	11.7
129.10168	10.3
131.08531	23.0
133.10092	32.0
135.11650	20.5
136.07547	3.1
137.13205	3.2
139.11177	21.7
141.01811	100.0
143.08560	4.3
145.04993	3.0
145.10120	23.2
147.11679	22.6
149.13261	26.5
157.10101	11.7
159.02838	5.0
159.11644	23.0
161.13240	33.0
163.05957	5.9
163.11270	3.0
163.14836	4.8
165.80031	2.6
171.11649	4.1
173.13239	16.1
175.14819	19.5
177.12668	4.7
177.16360	17.4
183.11684	3.7
185.13225	11.5
187.14775	18.6
189.16360	6.4
199.14787	15.5
201.16330	22.4
203.17921	11.1
205.15871	5.7
207.17261	4.3
213.16400	8.7
215.17949	16.7
219.17439	14.3
227.17932	17.5
233.18930	3.6
241.19388	3.3
245.19005	15.8
259.20529	3.3
267.21259	3.4
269.22562	3.1
273.22208	3.4
285.21902	4.7
324.67343	2.8
333.11374	2.7
367.15909	3.0
381.31430	10.8
403.33466	3.8
409.34424	4.1
421.34552	52.6
439.35696	98.4
597.37811	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	795.4522
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03363	3.7
57.07017	4.4
58.51473	0.5
59.04930	0.9
61.02853	31.0
64.33414	0.4
67.05079	0.6
67.05421	13.7
69.03335	6.4
69.06635	0.8
69.06982	11.7
70.06496	2.2
70.72560	0.5
71.01249	2.8
71.04888	1.0
73.02434	0.6
73.02830	16.7
79.05409	8.4
81.03318	2.8
81.06973	31.1
82.07307	0.5
83.01258	0.7
83.04890	2.3
83.08527	5.2
84.08039	2.6
85.02824	51.1
85.06477	0.6
86.09603	1.2
91.03877	26.2
91.05399	9.9
92.05743	0.5
93.06369	0.7
93.06968	32.3
95.01252	46.9
95.04888	2.7
95.08529	68.3
96.08847	0.7
97.02225	1.1
97.02823	22.9
97.06457	8.6
97.10078	3.6
99.00759	4.1
99.04362	1.2
99.08015	1.2
101.02327	2.7
103.03864	4.4
105.06971	25.8
106.77564	0.6
107.08536	41.0
109.02827	1.0
109.06445	3.2
109.10104	32.9
111.08035	11.3
111.11625	0.9
113.02290	5.9
113.09608	0.7
115.03823	0.9
117.06939	4.2
119.08529	42.5
120.08061	0.6
120.08848	0.9
121.10095	32.8
123.00710	1.2
123.08000	1.3
123.11649	12.7
125.09540	4.9
127.03869	9.1
129.06979	2.1
131.03337	2.4
131.08525	13.3
133.10091	32.8
135.11658	26.6
136.12000	0.9
137.09613	2.5
137.13242	4.5
139.10107	0.9
139.11153	19.2
141.01797	100.0
142.02103	0.9
143.08531	6.9
145.04927	11.5
145.10095	22.9
147.11659	24.2
149.09602	1.0
149.12024	1.0
149.13228	27.9
151.11142	2.3
153.12666	0.8
155.08426	0.7
157.10110	9.0
159.02853	9.0
159.11655	26.1
160.12163	0.7
161.13219	24.7
163.05977	16.4
163.11159	4.3
163.14787	8.8
165.12685	4.2
167.14256	0.8
169.10092	2.5
170.10893	1.2
171.11649	8.3
173.13217	19.1
175.14790	22.4
177.03880	3.1
177.12708	3.1
177.16338	11.4
179.14218	0.9
183.11671	2.8
184.07320	1.0
184.12376	0.9
185.13193	8.8
187.14780	15.2
189.12674	0.8
189.16335	10.7
191.14291	3.9
191.17914	4.0
193.15799	2.1
195.17348	3.7
197.13179	4.2
199.14783	11.0
201.16339	21.8
202.58083	0.6
203.14294	2.7
203.17912	12.9
205.15831	9.2
205.19386	0.7
207.17348	3.7
211.14769	3.2
213.16328	7.7
215.17900	15.9
217.15823	3.4
217.19530	5.8
219.17407	18.6
225.16339	3.1
227.17886	14.2
229.19443	2.9
231.17328	5.4
233.18906	4.0
237.16235	0.8
239.17937	2.9
241.19385	2.5
243.17320	2.2
243.20969	2.3
245.18933	22.2
251.17819	1.3
253.19484	2.9
255.21019	4.9
257.18817	2.2
259.20526	3.5
261.21896	0.7
267.20953	2.1
269.22589	3.4
271.20413	3.9
273.21994	5.4
279.21109	0.6
281.22446	1.3
283.20715	1.0
283.23999	0.9
285.21951	4.4
287.23605	2.3
293.22522	0.6
295.24057	1.2
299.23615	3.5
307.23972	0.8
309.25626	1.1
311.23544	1.0
313.25082	2.8
327.26779	2.3
339.09116	0.6
363.30252	1.0
365.19705	0.6
379.29880	0.8
381.31396	8.2
403.33316	4.6
409.34283	4.0
421.34537	47.9
422.35025	4.2
423.36075	0.8
439.35590	96.0
440.36166	8.4
457.36322	0.8
579.36389	0.7
597.37531	11.2
598.37848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.522
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08099	3.3
63.10842	3.2
67.05418	7.1
71.07275	19.5
71.08500	3.7
74.67388	3.0
79.89482	3.6
81.06992	4.1
86.09634	100.0
95.08542	6.8
95.97210	3.3
124.99961	24.8
143.57243	4.1
145.34691	3.6
146.98083	8.7
150.19839	3.7
162.95522	29.2
171.47939	4.3
179.28804	4.1
184.07285	67.9
256.45697	4.0
287.08725	4.2
613.45868	9.1
732.73059	4.3
737.45245	92.2
796.52698	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84986	0.1
56.04977	0.8
58.06530	0.2
60.08097	9.5
67.05427	0.5
69.34953	0.1
71.07290	4.8
74.28722	0.1
79.05402	0.2
81.06972	0.2
86.09629	50.6
87.09957	0.7
91.05383	0.2
92.70232	0.1
95.08543	0.1
98.98395	4.4
104.10688	3.4
124.99966	38.4
143.01018	0.9
153.44499	0.1
166.18492	0.2
184.07312	100.0
185.07678	1.6
195.07263	0.1
203.62128	0.1
235.05817	0.1
280.67709	0.1
289.47787	0.1
518.32239	0.2
778.53674	8.5
779.54047	1.1
796.52979	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	796.548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47058	0.1
56.04974	0.9
58.06519	0.2
60.08097	8.4
67.17844	0.1
68.04313	0.2
71.07292	4.6
81.06947	0.2
86.09628	50.7
87.09969	0.7
98.98398	4.6
104.10674	2.7
116.99526	0.2
122.64571	0.2
124.99963	36.1
126.00325	0.3
131.11475	0.2
143.01021	1.0
184.07307	100.0
185.07649	2.1
295.11746	0.2
295.62979	0.2
306.49442	0.2
325.31934	0.2
458.43405	0.2
516.98102	0.2
622.60077	0.2
778.53729	7.7
779.53998	2.0
796.52295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04962	0.7
58.06520	0.2
60.08097	10.0
63.89745	0.1
67.05427	0.3
71.06942	0.2
71.07294	4.6
74.36793	0.2
76.55820	0.1
81.06963	0.2
85.89028	0.1
86.09629	52.3
86.48289	0.1
87.09962	0.3
93.06966	0.2
98.98401	4.5
104.10676	3.8
123.31093	0.2
124.99966	35.9
143.01045	0.8
184.07314	100.0
185.07692	1.3
236.55986	0.2
341.11005	0.2
796.54669	9.2
797.54828	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04970	3.8
56.05778	0.6
57.03366	0.6
57.07013	6.1
60.08097	9.1
61.56580	0.5
63.60525	0.5
67.05434	17.8
69.06994	8.2
70.06517	0.8
71.07291	15.5
71.07658	1.0
71.08550	1.3
79.05404	6.6
81.06982	16.1
83.04869	0.7
83.08546	5.6
85.10088	0.7
86.09631	100.0
87.09947	1.0
89.21498	0.6
90.58331	0.6
91.05444	3.2
93.06985	6.4
95.04926	0.7
95.08539	12.5
97.06474	2.3
97.10111	3.3
98.98415	3.8
103.32778	0.6
104.10708	2.8
105.07008	1.0
107.08524	4.6
109.10136	3.2
112.92318	0.6
118.02235	0.7
119.08610	0.6
119.73225	0.7
121.10126	3.5
124.99969	30.6
135.11681	2.2
146.98167	39.6
149.13235	1.1
164.99281	1.1
184.07310	84.1
185.07608	1.5
279.76517	0.6
337.48648	0.7
563.25055	0.7
613.37726	1.1
613.47961	48.8
614.48187	6.1
737.47156	54.9
738.47595	6.3
762.06134	0.7
796.54517	66.6
797.54865	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	797.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04977	0.4
56.52888	0.2
57.03369	4.1
57.07007	2.9
57.63649	0.2
59.04946	0.4
61.02853	26.9
65.03872	0.7
67.05424	16.2
68.99693	0.8
69.03346	5.3
69.06984	12.6
70.06508	2.1
71.01266	2.4
71.04906	1.8
71.08532	0.4
72.08076	1.2
73.02829	15.2
74.09619	0.3
75.04406	0.6
75.80701	0.3
79.05407	8.2
81.03340	2.8
81.06970	34.6
82.07334	0.4
83.01270	1.3
83.04911	0.7
83.08530	8.2
83.09731	0.3
84.08085	2.5
85.02823	52.1
85.06470	0.6
86.09635	1.3
87.04388	0.3
91.03876	26.1
91.05394	9.1
91.05933	0.4
91.72553	0.3
92.11004	0.6
93.06969	30.8
95.01254	43.1
95.04900	2.2
95.08530	75.8
96.08871	0.8
97.02818	25.8
97.06482	0.6
97.10097	3.8
99.00749	4.1
99.04389	1.8
99.08015	1.4
101.02333	2.5
103.03867	4.9
103.05385	0.4
105.06259	0.8
105.06973	26.8
107.08533	48.8
108.08875	0.5
109.02812	1.8
109.06467	2.2
109.10100	51.8
110.10424	0.7
111.08021	10.2
111.11661	2.1
113.02303	6.3
113.09554	0.5
114.36018	0.4
115.03882	1.7
115.05356	0.3
117.06932	2.6
119.08533	37.0
120.08025	0.4
120.08828	0.4
121.10091	37.3
122.10423	0.7
123.00743	1.4
123.08030	1.7
123.11653	18.8
125.09604	2.2
127.03863	9.5
128.06194	0.4
129.06964	0.8
129.10193	1.6
131.03368	3.7
131.08525	9.2
131.09421	0.5
133.10091	35.2
135.11658	25.8
137.09587	1.5
137.13219	6.4
139.03836	0.4
139.11160	5.2
141.01796	100.0
141.10104	0.3
142.02142	1.7
143.08565	2.5
144.09344	0.6
145.04933	10.9
145.10089	15.3
146.10690	0.4
147.11661	27.9
149.13226	22.5
151.11156	2.2
151.14803	0.6
153.12627	1.2
157.10083	4.4
158.10902	0.7
159.02843	12.8
159.04079	0.6
159.11649	19.8
160.12364	0.4
161.13211	24.9
162.13608	0.4
163.05972	16.6
163.11162	1.6
163.14774	19.4
165.12656	3.1
165.16432	0.4
169.10034	0.7
171.11676	4.0
172.12434	0.5
173.13208	14.2
174.13693	0.4
175.14777	18.9
177.03900	3.8
177.12718	1.6
177.16342	13.9
178.16696	0.5
179.14297	0.5
179.17955	0.5
183.11691	1.6
185.13181	3.7
186.13898	0.6
187.14760	12.2
188.15253	0.4
189.16327	16.3
191.14291	1.5
191.17894	7.0
193.15863	2.6
195.17383	4.1
197.13176	1.4
199.14774	4.4
200.15433	0.3
201.16345	14.0
203.17911	30.0
204.18304	0.4
205.15842	4.4
205.19440	2.6
207.17381	5.9
211.14761	1.4
213.08746	0.3
213.16368	4.2
215.15921	0.6
215.17909	14.4
216.98337	0.3
217.15834	1.3
217.19475	12.9
219.17412	8.6
219.20813	0.3
220.17723	0.4
221.18956	6.9
225.16324	0.8
227.17903	5.2
228.18576	0.4
229.19456	17.3
231.17273	1.5
231.21017	1.3
233.18983	5.7
235.20456	1.5
239.17819	1.3
241.19446	3.0
243.21017	5.6
245.18878	3.0
245.22595	0.7
247.20508	7.8
253.19316	0.5
255.21017	3.0
257.18732	0.4
257.22556	3.7
259.20578	0.6
261.21976	2.1
267.21011	0.5
269.22549	3.6
271.20511	0.5
271.24106	0.7
272.69427	0.3
273.21921	1.3
275.23541	1.3
281.22452	1.3
283.24069	1.6
285.22031	0.6
287.23636	1.6
295.24130	2.0
297.25699	2.0
301.25339	0.7
311.27167	1.6
313.25150	0.6
315.26788	2.8
321.08002	0.5
329.28268	1.7
339.08862	0.5
351.30319	0.6
363.30386	0.4
365.31851	4.0
369.31366	0.6
383.33188	4.3
405.35074	8.7
406.35309	0.5
411.35950	1.6
423.36102	58.3
424.36276	4.1
441.37152	52.3
441.42252	0.5
442.37408	3.8
536.40924	0.4
563.37524	0.4
581.38293	3.1
582.38397	0.3
599.39264	9.5
600.39160	0.4
617.40021	0.7
619.26050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04961	1.1
57.03363	7.1
57.07013	1.4
61.02569	1.3
61.02857	29.9
62.95166	1.0
67.05436	19.3
69.03341	4.5
69.06987	15.2
70.06526	11.1
71.01263	1.7
71.04916	1.6
72.08062	7.5
73.02826	15.9
79.05400	8.1
81.03343	2.4
81.06977	40.2
83.08532	6.3
84.08065	7.3
85.02832	59.9
85.03349	1.9
86.09624	5.5
89.07516	1.2
91.03880	26.8
91.05397	9.3
93.06976	31.3
95.01266	44.1
95.04916	2.2
95.08539	83.6
95.09155	2.9
95.21598	1.3
97.02831	23.1
97.06581	1.1
97.10106	2.1
99.00747	2.7
99.04351	1.4
101.02313	2.4
103.03866	2.7
105.06981	32.8
107.07872	2.6
107.08542	51.6
109.02827	1.4
109.06446	1.4
109.10110	50.9
109.10861	1.7
111.08026	13.2
111.11660	1.6
113.02321	6.3
115.03911	2.2
117.06972	2.1
119.08539	42.1
120.08073	5.1
121.10104	43.4
123.11655	16.9
125.00001	1.7
125.09595	1.5
127.03871	7.8
129.10219	3.0
131.08516	10.0
133.10106	35.2
135.11647	28.2
136.07597	2.2
137.13258	5.1
137.48415	1.4
139.11169	7.3
141.01814	100.0
141.54782	1.2
143.08513	2.4
145.04935	9.6
145.10115	18.7
147.11667	33.4
149.13234	23.6
157.10074	3.1
159.02887	9.5
159.11662	24.5
161.13225	28.2
163.05974	12.4
163.11053	1.4
163.14781	17.6
165.12723	2.5
169.10077	1.5
171.11623	4.8
173.13225	13.4
175.14787	20.3
177.16360	11.8
184.07320	1.6
185.13301	2.3
187.14738	11.7
189.16318	18.3
191.14398	1.7
191.17886	5.8
195.17433	2.2
199.14734	5.4
201.16379	16.6
203.17941	31.0
205.15953	1.8
205.19545	1.3
206.03355	1.4
207.17430	4.6
212.02946	1.2
213.16295	5.7
215.17917	13.2
217.19475	13.6
219.17403	6.2
221.19019	5.7
227.17955	2.8
229.19495	15.1
233.18927	4.8
239.17828	1.3
241.19411	1.5
243.20955	2.5
247.20430	6.6
255.21140	2.5
257.22604	2.5
267.20953	1.3
269.22549	2.4
271.24036	1.5
283.24240	1.4
295.24051	1.9
315.27057	1.7
383.32831	1.6
405.34851	8.5
423.36145	54.3
424.36267	2.8
441.37189	50.0
442.37283	2.1
581.37836	2.7
599.39368	12.1
763.92438	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84631	0.1
56.04979	0.9
60.08097	9.1
67.05436	0.2
67.25053	0.1
67.99923	0.2
68.08676	0.1
69.38864	0.2
70.06502	0.2
71.06934	0.2
71.07291	5.2
81.06989	0.4
86.09630	47.6
87.09958	1.0
98.98403	4.1
104.10692	3.1
121.82040	0.2
124.99968	35.4
143.01071	0.7
151.97014	0.2
184.07315	100.0
185.07646	2.6
186.07712	0.2
223.70567	0.2
361.11603	0.2
780.55200	9.2
781.54742	1.1
797.54474	0.4
798.54974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04961	0.8
58.06517	0.2
60.08094	8.8
65.50398	0.2
67.05428	0.2
70.06505	0.2
71.07291	4.1
81.06969	0.2
84.31686	0.1
86.09626	47.0
87.09956	0.9
93.06993	0.2
98.98394	3.8
104.10680	4.0
124.99962	34.1
126.00336	0.2
133.33992	0.1
143.01038	0.8
184.07303	100.0
185.07649	1.9
534.50171	0.2
615.12799	0.2
780.54492	0.7
798.56238	7.8
799.56317	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03373	44.3
57.07013	75.0
60.08077	4.7
65.50497	2.9
67.05139	3.0
67.05431	61.9
68.10590	2.6
69.06988	42.9
71.01252	3.0
71.04900	13.6
71.08541	42.9
76.56062	3.4
79.05412	74.6
81.03339	3.4
81.06973	84.4
83.04888	3.5
83.08538	22.7
84.64166	2.7
85.02823	4.6
85.10117	27.0
86.09628	44.0
87.09943	4.7
91.05416	53.4
93.06982	83.1
95.04892	13.4
95.08533	100.0
97.06444	8.0
97.10107	12.9
98.98374	4.3
99.65752	3.2
105.06979	59.1
107.04868	5.5
107.08549	71.8
109.06450	13.9
109.10097	29.2
111.08061	4.8
117.06968	20.1
119.08557	38.7
121.10080	38.6
123.11675	4.9
124.99958	28.8
129.06975	11.5
131.08533	38.8
133.10103	27.6
135.11670	6.1
143.08517	13.6
145.10095	45.2
147.11652	16.6
149.09584	5.3
157.10086	7.4
159.11647	20.1
161.13164	4.5
164.69589	3.6
173.13245	5.1
177.16309	4.0
184.04686	3.4
184.07314	79.9
185.07683	13.0
185.13200	21.3
187.14799	33.0
201.16306	4.6
203.14275	15.6
205.15836	31.4
219.17458	6.5
239.17766	5.2
257.18939	18.3
275.20044	32.7
279.19476	28.6
313.27325	98.1
314.27655	5.9
349.23611	22.2
367.24442	5.7
517.42041	7.8
587.46722	27.4
588.46667	4.4
605.47681	5.8
826.63348	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	800.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04975	4.4
56.46896	0.7
57.07010	1.4
65.03864	3.8
67.05421	5.9
69.03349	4.4
69.06992	1.5
70.06512	26.6
71.04899	1.1
72.08070	4.6
79.05403	4.9
81.03365	0.8
81.06960	7.5
83.04911	4.8
83.06023	1.9
83.08546	3.1
84.04430	11.4
84.08067	22.8
85.02838	3.8
85.06467	1.1
86.05995	1.3
86.09618	9.5
87.04429	1.8
88.03908	1.2
89.03834	5.1
91.05409	7.0
93.03349	4.8
93.06961	1.6
95.04898	4.9
95.08545	4.0
97.02826	58.2
97.06470	1.5
98.03165	1.1
98.05981	1.2
99.08025	0.9
101.07092	2.9
102.05505	1.9
105.06985	5.3
107.08549	9.3
109.02854	1.0
109.06467	5.3
109.10104	14.2
110.07115	12.8
111.04376	2.0
115.08640	1.1
117.03336	16.8
119.04915	1.8
119.08578	2.0
120.08057	3.5
121.02831	1.9
121.10098	8.1
123.08037	1.9
123.11642	4.0
125.02279	1.0
125.09602	1.6
127.03901	1.1
127.08614	1.3
128.06194	1.0
129.06949	3.7
129.10204	11.6
131.08560	3.8
133.10103	16.8
134.03574	1.3
135.04372	0.9
135.07979	1.7
136.07567	12.0
137.05922	1.4
137.07896	1.0
139.73767	0.8
141.06990	1.4
145.02829	61.8
145.10103	1.5
146.03204	1.2
147.11678	1.1
149.02289	4.6
149.06006	6.0
149.13266	4.3
151.03828	1.3
151.11180	5.4
153.09088	1.6
157.06471	4.7
157.16873	0.9
158.10948	1.3
159.09160	1.4
165.12654	3.2
167.03386	18.0
167.04823	2.6
167.14304	5.7
173.13254	5.5
177.05437	100.0
178.05817	1.4
184.07307	0.9
189.09029	5.8
191.14272	4.6
199.07495	4.6
209.15331	19.8
217.08600	5.2
227.07028	3.3
245.07997	6.6
271.05939	12.8
272.06250	1.7
273.07297	1.3
291.08545	14.4
302.77835	0.9
309.09564	1.7
383.09790	0.9
557.14813	7.1
781.08862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04957	0.7
58.06544	0.3
60.08094	9.0
65.73048	0.1
67.05402	0.2
68.76112	0.1
70.06483	0.2
71.06934	0.3
71.07288	5.0
74.09628	0.2
77.59134	0.2
81.06984	0.1
81.54612	0.1
81.66909	0.1
86.09624	50.1
87.09438	0.2
87.09959	1.4
92.10183	0.3
94.23293	0.2
98.98392	4.1
104.10683	3.6
124.99958	36.2
133.41699	0.1
143.01065	0.8
146.70776	0.2
184.07300	100.0
185.07675	2.6
271.79605	0.2
284.75696	0.2
289.78156	0.2
526.46210	0.2
652.73486	0.2
700.06024	0.2
782.56757	2.4
800.57880	8.1
801.58160	1.1
814.54254	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	800.5791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04962	1.1
58.06541	0.2
60.08094	10.1
63.47029	0.2
64.53711	0.2
68.30648	0.2
71.07284	4.9
81.07001	0.3
86.09625	50.8
87.09959	1.2
95.08540	0.2
98.98389	4.1
104.10687	2.8
104.42768	0.2
116.79629	0.2
124.99960	36.6
143.01036	0.9
177.72401	0.2
184.07300	100.0
185.07651	2.2
219.36310	0.3
257.35342	0.2
261.32245	0.2
363.01547	0.2
509.98013	0.2
637.97662	0.2
782.56409	0.8
800.57764	8.9
801.58398	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04971	1.1
58.06538	0.4
60.07158	0.2
60.08092	10.7
62.46667	0.2
67.05402	0.4
71.07289	6.1
74.93015	0.3
81.06947	0.4
86.09625	54.5
87.09953	0.5
98.98395	4.3
104.10680	3.3
120.72356	0.2
124.99962	37.8
143.01050	1.0
144.07890	0.3
172.09543	0.3
184.07304	100.0
185.07626	1.6
198.63406	0.4
242.72203	0.3
247.80023	0.3
274.90710	0.3
782.56262	1.0
800.57715	7.8
801.57416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04974	4.4
57.07020	1.2
58.52251	1.0
65.03876	2.1
67.05428	53.3
69.06995	12.9
69.97720	1.1
71.07293	23.9
79.05410	30.9
81.06973	43.9
83.08546	4.8
86.09628	100.0
86.49969	0.9
87.09988	1.3
87.85814	0.9
91.05414	15.3
93.06975	25.9
95.04902	4.8
95.08535	29.3
98.98447	1.9
105.06957	8.1
107.08536	10.7
109.10101	8.8
117.06978	1.4
119.08582	5.3
121.10114	9.4
123.11646	2.0
125.00005	4.8
131.08580	3.7
133.10141	4.5
135.11697	3.8
145.10138	1.2
146.98161	78.0
163.01585	1.1
164.99226	4.4
166.35431	1.0
184.07323	3.6
188.00958	1.4
191.08018	1.0
245.47540	0.9
276.35327	1.2
298.13525	1.0
314.49445	1.0
416.16486	1.1
557.58386	1.3
597.48889	6.4
619.46851	75.4
620.47473	8.6
628.84778	1.3
726.98303	1.2
743.46057	70.3
744.46301	8.8
802.53357	79.6
803.53827	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	802.5942
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04963	1.3
58.06546	0.3
58.12777	0.2
60.02098	0.2
60.08093	9.3
63.79472	0.2
65.03851	0.4
67.05427	6.3
67.56869	0.2
69.06992	1.7
70.06493	0.2
71.07288	7.4
74.09655	0.2
79.05412	3.7
81.06979	6.0
83.08546	0.2
86.09626	60.0
87.09958	1.2
87.61678	0.2
91.05383	1.8
93.06976	3.2
94.34437	0.2
95.04923	0.4
95.08539	3.4
98.98404	3.7
104.10670	3.3
105.06979	1.1
107.08536	1.3
109.10112	1.3
117.06911	0.2
119.08534	1.0
121.10081	1.0
123.11659	0.2
124.99961	33.7
131.08519	0.3
133.10066	0.3
135.11630	0.2
135.24915	0.2
143.01031	1.1
145.10091	0.2
146.98161	10.9
163.01471	0.3
164.99240	0.3
184.07301	100.0
185.07610	1.7
229.49513	0.2
289.35638	0.2
337.39325	0.2
479.12723	0.2
532.43439	0.2
597.48126	1.1
619.46857	8.6
620.47870	1.5
743.45959	7.7
744.46393	1.7
784.58240	9.4
785.58368	1.3
802.53363	8.6
803.53516	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04976	1.5
57.07011	0.4
58.06536	0.3
60.08096	9.8
65.03864	0.3
65.22894	0.3
67.05428	6.8
69.06997	1.9
70.06512	0.3
71.07289	7.9
74.09629	0.3
79.05405	4.4
81.06974	5.8
83.08537	0.4
86.09628	63.8
87.09963	0.6
91.05406	2.4
93.06976	3.8
95.04898	0.6
95.08533	4.0
98.98399	4.7
104.10677	2.9
105.06957	1.0
107.08516	1.9
109.10110	1.3
117.06982	0.3
119.08537	0.6
121.10096	1.1
124.99963	35.7
135.11644	0.3
141.80421	0.3
143.01039	1.2
146.98160	11.9
164.99243	0.3
184.07309	100.0
185.07681	1.7
210.79279	0.3
229.85240	0.3
235.90527	0.3
407.26245	0.3
426.17612	0.3
426.23212	0.3
597.48499	0.5
619.46814	9.5
620.47253	2.2
628.95459	0.3
743.46094	8.4
744.46942	2.0
784.58325	9.2
785.58221	1.0
802.53424	9.6
803.53607	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	802.5946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04955	0.8
58.06517	0.3
60.08094	8.3
67.05414	0.4
69.06969	0.3
70.73177	0.1
71.07287	4.4
81.06965	0.2
86.09627	45.6
87.09979	1.4
95.08544	0.2
96.60525	0.2
98.98388	3.5
104.02462	0.2
104.10680	2.8
109.16401	0.1
116.99449	0.2
124.99960	32.5
126.00305	0.3
143.01018	1.0
159.67722	0.2
170.18390	0.2
184.07306	100.0
185.07661	3.0
186.07787	0.4
188.29353	0.2
223.53381	0.2
310.29391	0.2
404.87091	0.2
467.05792	0.2
638.10510	0.2
784.57257	0.3
801.56604	0.2
802.59338	8.4
803.59637	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03869	4.5
67.05412	0.7
69.07004	0.4
70.06515	0.4
72.08065	0.6
72.72388	0.3
73.97565	0.3
77.24422	0.4
79.05409	0.8
81.06974	0.7
86.09621	1.9
91.05406	0.7
93.03297	0.5
95.04893	0.6
105.06964	0.6
119.08534	0.5
121.02826	2.2
124.99957	0.8
139.03893	4.7
149.02321	100.0
149.03392	5.9
150.02657	1.8
175.03798	1.6
184.07254	3.1
193.04926	78.2
194.05257	1.7
194.06943	0.4
219.06511	0.5
225.05457	0.9
237.07544	19.8
252.64076	0.5
269.04358	0.9
297.04077	0.9
313.06891	0.9
341.06619	5.5
359.07550	2.2
367.90048	0.5
385.09061	15.0
405.26523	0.5
429.11905	4.9
476.89124	0.4
533.10907	0.5
558.87085	0.5
577.04327	0.5
577.13177	9.1
621.15668	4.2
627.45679	0.5
769.16962	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	804.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04967	0.5
60.07417	0.4
60.08096	8.1
67.05411	0.9
71.07291	5.0
73.02530	0.4
82.86216	0.5
86.09625	46.4
95.08513	0.8
98.60303	0.4
98.98389	3.5
104.10694	3.0
109.10141	0.4
124.99957	31.5
136.93375	0.5
143.01100	0.7
150.63255	0.4
153.19820	0.4
184.07297	100.0
185.07599	1.1
769.51483	0.6
786.52527	7.0
804.53503	7.2
805.52893	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04970	3.6
57.03399	0.8
57.07012	1.1
60.08092	0.8
65.03870	1.8
67.05427	56.0
68.05769	1.2
69.06988	15.5
71.07290	23.8
79.05402	16.5
81.06971	53.6
83.04919	1.3
83.08549	4.9
86.09625	93.4
87.09965	1.5
89.05952	1.2
91.05397	9.0
92.10899	1.8
93.06967	14.7
95.04897	0.9
95.08530	32.1
97.06463	1.6
97.10087	1.0
98.98392	1.0
105.06358	0.8
105.06953	6.6
106.69965	1.1
107.08530	7.2
109.10086	10.5
119.08569	4.7
121.10107	3.6
123.11652	2.2
124.99983	4.4
133.10112	4.4
135.11621	1.1
138.36942	0.8
146.98155	86.9
147.11664	1.1
163.01532	2.0
163.81331	1.0
164.99228	4.1
171.04189	1.0
184.07327	9.2
185.07655	1.0
249.36841	1.0
271.18430	1.1
360.25168	1.0
448.86566	1.0
599.50208	9.9
621.48395	77.9
622.48761	9.1
745.47589	82.3
746.47894	11.7
804.54956	100.0
805.55078	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	804.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04974	4.0
57.07016	0.8
57.47634	0.9
59.32932	0.9
65.03873	2.3
67.05428	65.2
69.06989	16.6
71.07285	25.3
74.37788	0.8
79.05410	19.1
81.06979	56.3
81.07452	1.8
82.07327	1.6
83.08552	5.7
84.73206	1.0
86.09631	100.0
91.05391	10.6
91.99388	0.9
93.06975	15.0
95.04888	2.1
95.08535	37.2
105.06993	5.8
107.08562	6.1
109.10134	11.4
109.57201	0.9
119.08570	3.8
121.10114	6.4
123.11681	4.4
123.80374	1.2
124.99977	7.0
133.10150	2.4
135.11697	2.0
137.13257	1.6
146.98164	88.6
149.13231	1.0
157.07973	1.1
163.01534	3.8
164.99272	3.8
184.07288	10.8
249.18134	0.9
257.76154	1.0
281.45001	1.0
465.23685	2.0
502.33084	2.1
524.31091	1.1
599.50287	8.5
621.48492	71.2
622.48590	10.7
745.47644	70.1
746.48138	12.4
804.55005	93.5
805.55090	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	804.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04985	2.1
57.07013	2.3
60.08103	10.6
63.39079	0.8
65.03854	1.7
65.36128	0.9
66.75955	0.9
67.05428	36.7
69.06978	10.2
70.06515	1.6
71.07292	21.2
77.31519	1.1
79.05397	13.6
81.06976	28.5
83.08553	6.3
86.09630	100.0
87.09988	1.5
91.05397	8.0
92.40788	1.0
93.06976	10.7
95.04932	1.0
95.08537	25.6
96.46264	0.9
97.06501	1.4
97.10079	1.5
98.98428	5.6
104.10700	1.6
105.06992	4.4
107.08511	7.8
109.10143	5.6
119.08590	1.7
121.10114	2.1
123.11697	2.1
124.99972	27.8
125.00806	1.0
126.00382	1.4
133.10112	2.2
135.11676	1.5
146.98161	51.1
164.99269	1.5
184.07309	81.7
185.07724	1.8
233.86649	1.1
243.84245	1.0
250.46461	1.1
329.25912	1.2
338.72693	1.2
554.05627	1.1
599.50739	4.6
621.48444	43.5
622.48749	4.1
649.74493	1.2
745.47662	43.5
746.47864	7.9
804.55133	55.0
805.55780	9.4
834.74017	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08097	9.4
67.05428	0.4
71.07303	5.6
80.60923	0.4
81.06979	1.4
84.18576	0.4
86.09631	50.0
87.09976	0.9
91.05412	0.5
93.06941	0.4
97.50259	0.4
98.98402	3.3
100.13344	0.4
103.84659	0.4
104.10667	4.2
124.99964	31.7
125.61648	0.4
143.01025	0.8
143.69255	0.4
184.07309	100.0
185.07614	2.1
189.89992	0.4
363.46915	0.4
688.16370	0.4
690.47406	0.7
770.52570	1.8
788.54156	4.0
806.55090	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	806.566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04974	5.6
57.07016	5.0
58.28517	1.0
58.62515	0.9
67.05431	43.1
69.06985	21.1
70.22847	1.1
71.07285	22.7
72.86765	1.1
79.05413	16.1
81.06972	40.8
81.07447	1.6
83.08542	13.4
83.66140	1.4
86.09627	100.0
87.09969	1.8
91.05419	7.3
93.06965	19.7
95.08531	30.7
97.10126	5.4
102.34456	1.3
105.06995	3.1
107.08574	6.4
109.10100	12.2
111.11787	1.3
119.08558	2.1
121.10078	9.0
123.11659	2.0
124.99974	3.2
133.10143	2.2
135.11679	2.2
146.98157	94.4
149.13193	2.4
164.99245	2.8
178.27748	1.6
184.07439	1.8
204.66162	1.4
325.51498	1.3
601.51697	6.7
623.49982	68.2
624.50366	8.6
747.49249	85.6
748.50433	9.8
806.56549	93.9
807.56702	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	808.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03373	5.3
60.08118	5.8
67.05433	72.3
69.06998	35.0
71.07284	7.6
71.08540	7.4
79.05406	80.9
81.06981	78.2
83.08540	8.1
86.09621	55.8
91.05409	79.6
93.06982	95.6
95.04892	9.4
95.08548	60.6
98.98392	5.0
105.06966	58.1
107.08542	40.8
109.10107	17.7
109.24980	3.7
117.06997	18.3
119.08533	57.5
121.10130	38.2
121.29832	5.2
122.09615	6.3
124.99947	35.7
129.06929	7.1
129.82860	4.1
131.08517	33.2
133.10088	33.9
135.11685	22.2
143.08551	16.4
145.10077	8.1
146.98152	5.3
147.11707	22.4
149.13217	6.3
157.10091	5.3
159.11681	18.1
161.13254	16.9
171.11626	8.4
173.13264	8.3
184.07292	100.0
185.13243	6.8
241.19420	7.5
259.20633	32.2
261.22067	5.2
333.24277	29.3
335.25662	45.4
593.45911	7.0
611.46515	31.4
625.44226	16.0
749.42981	26.0
753.02197	5.0
808.51013	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	808.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07019	0.1
58.06537	0.2
60.08096	10.0
67.05440	0.3
68.91321	0.1
71.07293	4.5
71.08573	0.2
81.06949	0.2
86.09631	49.3
87.09959	0.9
92.56885	0.2
95.08535	0.2
98.98402	4.0
104.10693	3.5
106.09095	0.2
111.81274	0.2
116.99471	0.2
124.99969	34.7
130.49220	0.2
143.01079	0.9
161.40057	0.2
184.07317	100.0
185.07649	1.6
232.97701	0.2
241.41904	0.2
325.70389	0.2
586.91156	0.2
650.43701	2.0
651.43799	0.2
690.47009	2.4
754.52472	0.3
772.54767	2.2
773.54224	0.6
790.56207	2.2
808.56940	4.5
809.55237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06535	0.2
58.58358	0.1
60.08092	9.3
61.08432	0.2
62.96999	0.1
63.22249	0.1
64.16955	0.1
64.33636	0.2
67.05423	0.3
71.07285	5.3
71.08534	0.2
79.05385	0.3
81.06966	0.3
86.09623	52.0
87.09950	2.0
91.05385	0.2
93.06963	0.2
98.98394	4.8
104.10674	4.6
107.08553	0.2
124.99958	37.2
126.00299	0.2
143.01024	1.2
184.07297	100.0
185.07625	3.9
185.09230	0.2
186.07843	0.3
316.82425	0.1
502.33881	0.2
691.47137	0.3
692.46838	0.2
792.51727	1.1
809.56757	0.6
810.52655	10.3
811.52808	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06248	0.1
58.06520	0.4
60.08098	9.6
61.08422	0.2
65.00824	0.1
67.05419	0.2
71.07293	4.9
79.05400	0.6
80.29939	0.1
81.06966	0.2
86.09631	53.3
87.09443	0.2
87.09965	1.6
91.05424	0.1
98.98399	4.9
100.67522	0.1
104.10680	4.3
104.59305	0.1
107.08571	0.2
124.99968	36.4
126.00332	0.6
143.01056	0.8
184.07315	100.0
185.07669	3.7
186.07816	0.3
202.02969	0.1
234.09399	0.1
361.23981	0.2
432.32407	0.1
483.23300	0.2
627.45636	0.3
751.45154	0.2
752.48505	0.2
774.55695	0.2
791.56647	0.2
792.51733	0.9
793.51080	0.2
809.57111	0.3
810.52521	9.5
811.53058	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91912	0.3
70.06516	3.3
78.01071	0.3
79.05409	0.4
81.03355	0.6
81.94554	0.3
82.14115	0.3
84.04444	1.4
84.08077	2.1
85.02834	0.4
86.09646	0.8
86.78278	0.3
91.05430	0.6
97.02823	3.8
101.84945	0.4
109.10106	0.5
110.07144	0.6
111.00544	0.4
113.07120	0.3
119.01034	0.7
119.08606	0.4
127.03913	1.2
129.10182	0.7
132.08105	0.5
137.09633	0.4
140.04428	0.4
142.62419	0.3
149.02150	1.8
161.09651	0.6
167.03165	0.4
167.07153	0.4
185.04181	7.3
197.10254	0.4
216.04185	0.4
222.41103	0.4
225.67293	0.3
227.05315	0.8
241.09216	0.7
265.10504	3.4
267.08395	3.1
269.06421	1.8
285.07587	0.4
311.07349	2.3
321.13165	1.6
329.08325	9.5
329.11771	0.4
345.13287	0.5
361.12540	2.4
363.14175	1.8
379.13544	4.1
393.11420	0.6
395.09286	0.6
417.17075	0.6
455.11581	2.8
461.17706	0.5
479.18329	0.5
523.17847	0.7
535.04645	0.4
541.18591	2.1
563.21295	0.7
583.20129	0.4
623.23315	3.7
625.20770	1.4
667.22125	0.6
685.22955	5.1
735.22369	0.4
749.26282	0.7
805.75745	0.5
811.26135	100.0
812.26514	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	811.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03376	0.2
60.04456	0.1
61.02840	0.2
62.31274	0.1
67.05430	0.2
68.99686	0.1
69.03351	2.3
69.06987	0.1
70.06511	2.6
71.04913	0.5
71.99986	0.1
72.08066	0.3
73.02832	0.5
74.05987	0.2
79.05406	0.6
81.03336	2.5
81.06976	0.2
83.04903	2.9
83.05997	0.2
83.08582	0.1
84.04418	1.1
84.08067	2.0
85.02831	4.8
86.06002	0.1
86.09638	0.8
87.04386	0.2
87.05527	0.1
88.68977	0.1
91.05418	1.4
92.10178	0.1
93.06973	0.8
95.04903	0.2
95.08521	0.2
97.02827	14.2
98.03159	0.2
99.04390	3.9
101.07059	0.1
102.05512	0.2
103.03883	4.9
103.09499	0.1
105.07001	0.8
107.04893	0.1
107.08540	4.8
109.02837	3.3
109.06472	0.6
110.07096	0.9
111.04353	0.1
111.58894	0.1
112.08670	0.1
115.03839	0.2
115.05347	0.1
117.06994	0.7
119.04884	0.2
119.08525	1.3
119.11208	0.1
120.08089	0.1
121.06435	1.1
121.10089	0.2
127.03880	100.0
128.04207	1.6
129.10185	0.9
130.23880	0.1
131.08556	0.8
133.10097	0.7
135.08020	7.9
136.06656	0.1
136.07529	1.1
136.08374	0.1
137.07918	0.1
139.04007	0.1
141.07025	0.1
142.07741	0.1
143.08566	0.2
144.09331	0.1
145.04948	2.1
145.06445	0.7
145.10074	0.5
147.08044	0.6
149.05968	0.2
149.09557	0.1
156.09236	0.1
157.10077	0.2
158.10861	0.3
159.08055	0.7
159.11659	1.5
161.09563	0.9
163.05986	0.7
163.07523	2.3
163.11150	0.1
172.08823	0.1
173.05952	0.2
173.09572	0.5
173.13223	1.3
183.11584	0.2
184.07356	0.1
185.09488	0.1
186.10368	0.6
187.05965	0.7
187.11165	1.2
189.12691	0.2
191.06995	0.2
197.87581	0.1
201.12714	1.1
203.14442	0.2
205.12173	1.0
211.11107	0.2
219.13768	1.5
227.81900	0.1
229.12178	1.5
247.13210	2.3
256.48337	0.1
271.08139	0.7
289.09052	0.5
297.14859	0.2
325.14282	0.4
343.15292	0.7
361.16370	0.2
379.17395	0.6
433.07687	0.2
433.13354	3.8
434.13696	0.2
523.41602	0.1
532.31830	0.1
691.81940	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	811.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44872	0.1
64.52350	0.1
74.02340	0.6
82.86066	0.1
91.05416	0.2
95.04897	0.2
115.05414	0.8
117.05707	0.7
117.07001	0.9
118.06492	19.1
119.06832	0.2
119.08569	0.2
130.06506	1.2
132.08060	5.9
135.08014	0.2
142.06522	1.8
143.07277	2.1
144.04445	0.6
144.08067	16.5
145.06413	0.2
145.08430	0.2
146.05988	81.8
147.06331	1.3
159.09148	7.7
160.07533	1.4
170.05975	6.2
175.11084	0.1
188.07033	100.0
189.07417	2.3
199.11044	0.2
205.09692	29.2
206.09969	0.6
247.13309	0.2
265.14246	1.8
286.23975	0.1
287.79422	0.1
662.84570	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	811.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03371	2.9
57.06995	1.4
60.55837	1.2
61.85954	1.1
67.05417	8.0
69.06979	8.0
70.06197	1.5
70.06520	29.1
71.01256	2.8
71.06834	1.8
72.08066	10.1
73.02824	7.5
79.05412	5.5
81.06977	23.7
83.08530	5.1
84.04428	2.0
84.08044	5.9
85.02835	65.3
86.09644	15.1
91.05396	8.7
93.06973	19.1
95.01254	36.6
95.04888	2.0
95.08540	42.6
97.02829	6.4
97.10107	1.4
99.00774	2.5
101.02332	1.9
102.05479	1.7
102.09827	1.2
103.03870	7.3
103.05399	2.0
105.06985	19.2
107.08533	28.6
109.06491	1.8
109.10107	31.0
110.07104	2.0
111.08039	6.4
113.02316	7.6
119.08535	22.6
120.08063	12.1
121.10098	22.7
123.00702	2.0
123.11694	10.0
131.03365	7.4
131.08562	6.3
131.91423	1.5
133.10114	19.9
135.11676	15.8
139.11189	3.0
141.01811	100.0
143.08510	1.5
145.10112	9.9
147.11655	13.4
149.13252	14.9
157.10114	1.7
159.02832	18.5
159.11681	11.5
161.13223	12.7
163.14778	10.9
165.12720	2.2
173.13234	8.7
175.14793	12.7
177.03871	8.0
177.16362	8.5
184.07368	2.4
185.13327	1.5
187.14790	7.1
189.16391	7.4
191.17894	5.8
193.15866	2.3
195.17368	2.0
201.16385	6.9
203.17941	17.4
205.15846	2.4
207.17398	3.4
213.16269	1.8
215.17996	8.3
217.19441	6.2
219.17453	2.7
221.19173	1.6
227.17989	2.3
229.19476	8.0
233.18881	1.8
245.18919	1.9
247.20453	3.3
255.49539	1.5
269.22690	1.4
309.25095	1.5
315.63617	1.7
317.04935	6.5
405.34851	3.2
423.36124	31.6
424.36472	2.2
441.37222	23.4
442.37836	1.6
599.39301	2.5
638.07373	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07019	1.6
57.37467	1.2
58.06526	3.0
60.08095	7.7
67.05429	7.3
69.06989	2.0
71.07294	18.0
71.08530	2.0
73.21104	1.2
79.05407	2.3
81.06965	8.7
83.08530	1.9
85.45390	1.3
86.09631	100.0
87.09957	1.7
94.41319	1.4
94.95477	1.2
95.08530	6.5
95.40581	1.4
98.98401	1.6
104.10718	1.9
109.10123	1.7
123.11736	1.6
124.99980	26.5
162.95541	12.4
184.07314	75.0
184.08940	3.1
185.07668	1.9
216.29785	1.3
220.50638	1.5
235.11307	1.3
236.14909	8.1
276.32599	1.5
338.95578	1.5
537.39612	1.8
629.45660	24.6
630.46460	2.2
753.44830	74.6
754.44745	10.2
794.60254	2.7
812.52203	57.0
813.51563	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	812.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03361	0.5
57.07005	5.1
57.52695	0.5
58.06529	0.5
60.08097	8.3
64.18657	0.4
67.05424	0.7
71.07288	6.2
71.08533	3.4
78.74307	0.6
81.06986	0.7
85.10087	1.2
86.09625	37.6
87.09946	1.1
95.08516	1.1
104.10676	100.0
105.10998	2.3
124.99969	9.0
146.98138	13.6
166.36546	0.6
179.77965	0.6
180.89970	0.6
182.03023	0.6
184.07298	27.3
185.07657	2.3
190.96106	0.6
198.96811	0.7
313.27246	10.8
314.27637	1.0
396.52768	0.6
415.22339	0.7
459.24692	27.6
460.25015	1.3
478.32327	0.7
496.33813	8.0
497.34006	5.0
518.32050	49.5
519.32526	4.6
551.33112	0.6
642.14331	0.7
793.64233	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86553	0.4
60.08098	9.2
67.05418	0.9
71.07290	4.5
78.72322	0.4
79.05402	0.5
81.06975	0.9
83.12164	0.4
83.60530	0.5
86.09628	48.1
92.63708	0.6
98.98397	4.9
104.10658	2.7
112.02293	0.4
124.99965	34.4
143.01016	0.7
158.15071	0.5
184.07306	100.0
185.07542	2.0
432.52328	0.6
776.51855	8.9
777.52423	0.9
794.52502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06523	0.3
60.08096	9.3
62.87361	0.2
67.05469	0.2
69.06995	0.2
70.06496	0.2
71.07290	5.5
79.05421	0.4
81.06974	0.4
86.09628	51.5
87.09967	1.0
92.10899	0.3
95.08525	0.3
98.98393	4.2
104.10690	3.7
110.05936	0.2
124.99965	34.5
143.01021	0.8
146.98201	0.5
156.39755	0.2
184.07307	100.0
185.07637	1.7
219.06621	0.2
221.02206	0.2
224.42055	0.2
294.59720	0.2
337.75101	0.2
453.03839	0.2
520.33234	0.2
629.46655	0.5
741.56451	0.2
752.45367	0.3
753.46619	1.4
754.48383	0.9
766.47198	0.2
794.52301	0.8
812.39355	0.4
812.53882	7.6
813.53479	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06533	0.2
60.08094	8.4
65.05910	0.1
65.55905	0.1
67.05425	0.2
67.73651	0.1
70.06515	0.1
71.07287	5.0
77.99627	0.1
79.05404	0.2
81.06985	0.2
86.09625	50.1
87.09942	0.8
92.10194	0.2
93.06989	0.2
93.65874	0.1
95.00229	0.1
98.98396	3.9
104.10675	4.4
124.99960	36.5
137.30527	0.1
143.01018	0.7
158.91922	0.1
171.08252	0.1
184.07303	100.0
185.07648	1.5
217.23642	0.2
672.41620	0.2
712.44275	0.2
739.05219	0.1
776.51074	0.2
794.53052	2.0
795.53625	0.2
812.54095	5.2
813.53589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07011	5.2
60.08097	10.6
67.05428	6.6
69.07003	1.7
71.07291	15.2
71.08553	4.4
79.05392	0.8
81.06988	5.5
83.08537	1.3
86.09628	89.0
87.09976	0.9
88.04551	0.7
88.54645	0.7
91.05410	1.4
92.21104	0.8
92.64334	1.0
93.06976	1.1
95.08551	3.0
97.10122	0.9
98.98414	4.7
104.10686	4.1
107.08546	1.1
109.10088	1.6
124.99970	38.2
143.00909	0.9
146.98160	21.2
161.68004	0.9
184.07304	100.0
185.07779	1.0
228.16739	0.8
304.29709	0.8
470.54251	0.8
502.65842	0.8
593.94116	0.9
629.47461	36.2
630.48212	3.1
753.46631	59.4
754.46844	5.5
780.30133	0.8
812.53986	46.3
813.53821	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	812.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07007	0.6
58.06536	0.5
58.85952	0.3
60.08094	8.7
67.05415	2.5
69.06986	0.6
71.07291	7.3
71.08540	0.7
79.05405	1.3
81.06980	1.9
81.73432	0.3
86.09630	60.0
87.09972	1.6
91.05419	0.6
92.10919	0.8
93.06974	0.6
95.08542	1.5
97.06480	0.4
98.98405	4.0
104.10701	3.0
124.99969	34.7
143.01003	0.5
146.98166	3.7
180.79132	0.3
184.07309	100.0
185.07709	0.7
280.15302	0.4
502.29099	0.4
628.45953	1.7
629.47418	12.4
630.47736	0.5
752.45227	2.7
753.46490	15.6
754.46265	1.8
794.52209	1.3
811.52405	0.6
812.53870	13.7
813.52582	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03371	5.4
57.07003	2.2
58.95732	0.7
59.04921	0.9
60.57188	0.9
61.02565	1.1
61.02861	31.1
67.05438	14.7
69.03338	6.6
69.06990	15.8
70.06508	1.9
71.01266	1.9
73.02832	15.2
79.05408	10.7
81.03327	4.3
81.06506	1.7
81.06976	39.1
83.04913	1.7
83.08541	6.0
85.02832	63.8
86.09628	1.2
88.18938	0.8
90.57565	0.8
91.03337	1.4
91.03884	27.7
91.05406	11.1
93.06978	33.1
95.01260	50.6
95.04909	1.7
95.08535	74.6
97.02831	24.4
97.06445	1.1
97.10098	1.3
97.55263	1.0
99.00741	5.3
99.08044	1.4
103.03870	5.1
105.06976	28.9
106.71413	1.0
107.08545	49.3
109.02843	1.8
109.06490	1.9
109.10112	51.2
111.08033	14.2
113.02327	9.1
113.54954	0.9
117.06966	1.7
119.08540	38.8
121.06502	1.1
121.10101	39.5
123.00751	1.1
123.08067	1.0
123.11655	19.2
125.09586	1.6
127.03882	9.5
131.03403	4.6
131.08537	10.9
133.10103	39.0
134.51224	1.0
135.08014	1.1
135.11665	32.6
137.09598	2.1
137.13252	4.2
139.11180	6.1
141.01808	100.0
142.02162	0.9
143.08553	4.3
145.04945	9.6
145.10097	23.2
147.11676	29.9
149.09653	1.7
149.13240	26.7
149.14381	1.5
151.11186	5.1
157.10117	7.0
159.02884	12.0
159.11674	27.1
161.13223	24.7
163.05975	13.0
163.11148	3.6
163.14807	11.6
165.12770	1.4
171.11655	6.0
173.13252	15.7
175.11238	1.0
175.14792	15.6
177.03908	2.1
177.12656	3.4
177.16353	9.1
179.14328	1.0
183.11723	2.0
185.13216	5.1
187.14824	10.6
189.16356	15.5
191.17943	6.6
193.15993	3.5
195.17378	1.9
197.13097	1.1
199.14783	6.3
201.16327	20.4
203.17924	14.9
205.15855	6.2
205.19470	1.2
207.17421	5.4
211.14851	3.5
213.16393	6.5
215.17928	12.3
217.15894	1.3
217.19470	4.7
219.17395	13.1
221.18994	1.4
225.16470	1.4
227.17870	6.7
229.19505	3.6
231.17435	4.4
233.18976	5.2
237.18434	1.0
241.19458	4.0
243.21054	2.2
245.18939	8.8
253.19389	1.6
255.21017	1.6
263.19968	6.2
267.20966	1.2
273.22208	1.4
277.21597	2.2
285.22079	1.2
291.23221	1.7
309.25616	0.9
313.25253	1.8
317.24503	1.2
321.08017	1.1
331.26270	1.7
363.30545	1.0
381.31406	5.5
399.32422	4.7
403.33423	5.0
409.34290	1.5
411.35791	1.6
421.34595	26.5
427.35492	1.3
439.35645	56.6
440.35776	1.9
443.05844	1.0
457.36676	59.8
458.37061	4.0
521.85291	0.9
597.37543	2.2
615.38751	6.3
740.43420	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03370	2.8
57.07002	2.8
58.90115	1.3
61.02850	28.5
63.93716	1.3
67.05425	16.5
69.03329	5.4
69.06992	17.9
70.06507	24.7
71.01273	2.7
72.08060	8.0
73.02827	12.4
79.05408	11.4
81.03335	3.1
81.06974	45.8
83.04876	2.1
83.08540	8.5
84.04421	5.4
84.08039	7.0
85.02344	2.5
85.02828	51.3
86.09643	10.1
91.03882	23.5
91.05397	7.5
92.10858	2.1
93.06975	34.6
95.01256	47.0
95.08537	75.6
97.02828	24.5
97.10089	2.8
99.00742	2.9
99.04366	1.7
101.02313	2.4
103.03861	3.0
103.05447	2.1
105.06978	32.2
107.08538	56.1
108.08898	1.8
109.06477	1.6
109.10114	50.0
110.07122	6.0
111.08043	14.5
111.11673	1.7
113.02331	6.2
115.03903	2.4
119.08530	40.0
120.08041	6.0
121.06412	2.1
121.10087	38.5
122.39232	1.5
123.00703	1.7
123.11658	15.2
125.09604	5.5
127.03863	10.0
129.10207	1.9
131.03447	2.0
131.08534	8.5
133.10106	33.8
135.11658	38.4
137.09612	2.4
137.13229	3.0
139.11130	3.0
141.01804	100.0
143.08537	6.2
145.04947	9.3
145.10078	21.8
145.93701	1.5
146.26982	1.7
147.11664	29.4
149.09550	2.6
149.13240	25.9
151.11145	2.6
151.14833	1.7
157.10095	6.2
159.02809	10.7
159.11659	27.7
161.13240	21.8
163.06013	13.3
163.11131	1.9
163.14774	15.0
165.12683	1.7
171.11615	7.2
173.13226	17.9
174.13754	1.6
175.14769	17.6
177.03935	2.3
177.16336	13.3
178.75844	1.5
179.25490	1.5
184.07372	1.6
184.43535	1.5
185.13200	6.9
187.14813	14.5
189.16325	18.6
191.14285	2.2
191.17888	6.6
193.15813	2.4
195.17392	3.1
197.13211	1.9
199.14772	3.7
201.16367	20.5
203.17960	14.4
205.15863	7.5
207.17404	6.0
213.16333	5.8
215.17932	11.6
217.15865	2.3
217.19495	6.1
219.17412	10.5
221.18903	2.1
227.17880	7.8
229.19536	3.4
231.17406	2.4
233.18944	3.4
241.19438	2.9
243.17749	1.6
243.21065	2.9
245.18980	9.2
247.79642	1.8
255.20903	5.9
263.19974	5.9
267.20938	2.5
327.26767	2.0
381.31433	3.4
399.32477	2.8
403.33466	2.4
409.34528	3.0
421.34579	28.4
439.35550	54.4
440.35785	2.2
457.30585	2.8
457.36633	55.9
458.37244	1.7
574.20471	2.1
597.37451	5.7
615.38434	6.4
616.38654	1.8
709.96155	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03359	4.1
57.06994	2.1
61.02868	28.7
67.05424	22.8
68.12560	1.7
68.18649	1.6
69.03355	8.0
69.06989	16.7
70.06174	2.4
70.06512	25.0
71.01274	3.2
71.04893	2.5
72.08062	3.1
73.02440	1.5
73.02831	18.5
74.05962	2.0
79.05420	14.8
80.78988	1.9
81.03330	3.7
81.06979	44.6
83.08543	4.3
83.88869	2.0
84.04423	11.0
84.08075	21.8
85.02836	62.2
86.09617	15.7
91.03893	24.4
91.05402	11.2
91.25928	1.8
93.06983	38.1
95.01257	45.9
95.04894	2.4
95.08537	79.6
97.02831	31.1
97.06450	11.9
97.10098	6.5
99.00780	3.2
103.03880	2.4
105.06985	46.3
107.07871	2.9
107.08540	56.4
109.06469	3.4
109.10110	46.8
110.07107	8.2
111.08015	10.9
113.02279	8.0
114.36169	2.4
117.06935	2.6
119.07785	2.9
119.08548	59.9
120.08047	2.4
121.10104	37.1
121.76047	1.8
123.11655	12.4
125.09619	1.7
127.03868	13.7
129.06947	1.8
129.10188	8.8
131.03375	3.5
131.08542	18.5
133.10092	41.5
135.11632	25.1
137.09645	2.2
137.13200	2.2
141.01810	100.0
142.59593	1.8
143.08528	8.7
145.04893	9.6
145.10114	34.7
145.73819	1.8
147.11668	43.6
149.13229	52.3
157.10080	11.9
159.02835	8.9
159.11685	36.6
161.13229	28.0
163.05975	10.1
163.13440	1.8
163.14796	10.0
169.10031	2.0
171.11610	12.5
173.13278	20.2
175.14789	23.6
177.04027	3.4
177.16370	11.8
183.11644	2.6
184.07272	4.3
185.13232	3.7
187.14700	12.7
189.16360	27.3
191.14230	2.9
191.17856	3.7
193.15875	2.2
197.13054	3.2
199.14764	4.2
201.16389	16.1
203.17889	13.4
205.15816	15.2
207.17398	13.7
213.16371	8.5
215.17918	11.0
217.19525	3.0
219.17404	9.0
225.16281	2.5
226.17177	1.9
227.17897	6.9
229.19594	2.0
231.17375	2.4
233.18951	12.6
245.18921	11.9
362.79926	2.3
381.31412	6.8
403.33453	3.0
409.34805	3.0
421.34680	34.7
427.35538	2.7
439.35715	59.1
440.35764	8.0
449.54822	2.0
457.36652	35.8
479.11682	2.0
579.36096	2.2
597.37396	3.6
615.38403	3.8
636.29828	1.9
820.41510	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	813.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84915	1.1
57.03361	3.7
57.07015	1.5
60.04448	9.0
61.02859	22.3
67.05426	24.2
69.03331	11.6
69.06989	20.8
70.02854	1.5
70.06147	1.6
70.06509	37.4
71.04903	3.3
71.06795	2.0
72.08062	11.7
72.83084	1.5
73.02821	14.4
74.05979	6.0
79.05412	20.2
81.03329	6.2
81.06973	45.1
83.04884	6.3
83.06000	1.9
83.08527	5.9
83.43388	1.3
84.04424	27.9
84.08063	63.5
85.02341	2.7
85.02824	55.3
85.08373	5.7
86.05973	1.7
86.09624	34.3
87.05492	5.9
87.09972	1.6
88.03909	1.6
91.03879	26.1
91.05406	19.8
93.06963	36.5
95.01252	41.8
95.04884	6.6
95.08529	81.9
97.02823	84.0
97.03459	2.9
97.06436	1.5
97.10076	1.7
99.00739	2.5
99.02288	1.6
99.04368	7.2
101.07054	2.4
102.05448	10.4
103.03851	2.7
105.06975	42.3
107.04907	11.1
107.08536	70.3
109.02820	8.8
109.06451	6.4
109.10102	65.5
110.07096	9.7
111.04387	2.4
111.08037	13.3
113.02293	5.9
115.05334	1.6
115.08595	2.1
117.06937	7.0
117.97217	1.3
119.04927	1.3
119.07774	2.2
119.08540	41.7
120.08056	10.0
121.06432	3.6
121.10101	46.1
122.07236	3.2
123.08012	3.0
123.11651	12.4
125.09608	2.5
126.05465	2.9
127.03876	15.0
128.06049	1.4
129.06734	2.2
129.09344	2.5
129.10199	40.3
130.10580	2.2
131.03336	3.4
131.08495	12.3
133.10092	100.0
134.10417	3.5
135.07996	13.6
135.11655	31.6
136.07536	6.7
137.09590	59.3
137.10483	1.8
137.13167	3.2
138.09940	2.5
139.08679	1.6
139.11124	2.0
141.01796	96.5
141.06601	2.7
142.02135	2.2
142.29808	1.3
143.08493	10.0
145.04956	10.1
145.10104	23.4
147.08015	7.9
147.11667	24.5
149.09605	3.4
149.13226	33.9
150.13535	1.8
151.11124	2.1
157.10042	3.7
159.02869	10.4
159.11662	26.0
161.09567	35.0
161.13194	21.9
163.06003	11.6
163.11136	3.3
163.14754	10.0
165.09073	16.3
165.20451	1.4
167.08037	2.5
171.11635	7.0
173.13220	19.5
175.14795	16.4
177.03850	1.7
177.16324	10.9
179.10616	3.2
183.11627	2.3
184.07242	2.9
185.09081	1.8
185.13200	8.5
187.14679	12.0
189.08955	2.5
189.16316	17.0
189.67345	1.5
191.14268	31.0
191.17839	7.0
193.15790	3.1
195.17439	2.0
199.07083	1.9
199.14778	2.8
201.12360	1.8
201.16364	17.1
203.14334	1.6
203.17891	13.0
205.15855	6.1
207.10214	12.6
207.17383	2.2
209.15329	7.1
211.14732	2.1
213.16321	6.6
214.46681	1.6
215.17903	9.8
217.15933	2.6
217.19443	3.7
219.17265	10.3
227.17822	3.2
231.17447	2.5
233.18948	3.3
237.18419	1.8
243.20869	2.8
245.18938	3.0
263.19974	6.7
269.22495	2.0
275.12753	2.6
303.11835	1.8
329.12033	3.2
357.15070	1.9
381.31314	3.4
399.32324	3.3
409.34097	2.2
421.34424	22.5
426.05716	1.6
439.35556	52.4
440.35907	2.7
457.30573	2.6
457.36664	56.4
458.36694	7.8
579.35980	1.8
580.45831	1.6
597.37494	5.6
615.39209	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	813.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03366	6.9
57.76096	1.5
61.02853	24.4
67.05431	16.8
69.03352	3.5
69.06983	19.9
69.60806	1.2
70.06508	15.2
71.01249	2.2
72.08047	2.7
73.02823	18.1
79.05405	12.2
81.03330	6.0
81.06970	43.9
83.01260	1.4
83.04862	1.8
83.08530	6.1
84.00191	1.3
84.04381	1.7
84.08063	9.2
85.02823	56.5
86.09612	10.0
86.42632	1.4
91.03886	23.5
91.05393	13.2
91.05870	1.5
93.06971	38.6
95.00675	2.0
95.01259	50.0
95.08530	85.2
97.02820	32.6
97.10102	1.7
99.00742	6.0
99.08080	1.5
103.03845	2.4
105.06967	34.4
107.08533	51.4
109.02824	3.2
109.06494	1.6
109.09397	2.5
109.10101	51.3
110.07100	2.5
110.10392	2.5
111.08044	12.8
113.02248	5.5
115.03847	1.7
115.05423	1.4
117.06937	2.3
117.27431	1.4
119.08524	41.5
120.08051	3.2
121.10098	40.9
123.00712	1.8
123.11660	16.1
125.09565	2.5
127.03831	10.6
129.10242	1.8
130.72522	1.6
131.03345	3.1
131.08565	11.6
133.10095	38.4
135.11667	32.9
137.09590	3.0
137.13220	1.9
139.11151	2.1
141.01799	100.0
145.04974	11.7
145.10086	20.8
147.11661	29.3
149.09543	2.6
149.13255	26.4
151.11131	3.0
157.10136	3.3
159.02847	10.8
159.04150	1.3
159.11658	27.9
161.13213	26.2
163.05968	15.0
163.11200	2.3
163.14774	12.5
167.06920	1.6
169.10016	1.7
171.11589	9.1
173.13179	18.1
175.11247	1.9
175.14774	22.1
177.03874	2.4
177.12648	2.5
177.16307	11.9
179.06943	1.7
183.11705	1.6
184.07291	2.4
185.13203	6.5
187.14787	12.6
189.16350	18.9
191.17839	3.0
193.15891	3.4
197.13205	3.5
199.14822	3.6
201.16283	17.1
203.17926	18.0
205.15761	7.6
207.17392	7.0
213.16273	5.9
215.17882	12.8
217.19460	2.4
219.17398	15.2
221.18770	1.9
227.17865	6.5
229.15828	2.0
229.19421	2.5
231.17453	2.1
233.18893	5.8
241.19527	2.4
245.18974	7.5
247.20491	2.3
263.19940	7.8
273.21841	2.1
291.22925	1.8
313.25018	1.6
331.26276	2.3
381.31516	11.5
399.32492	5.5
403.33008	2.1
408.21515	1.6
409.34537	3.4
421.34506	29.8
439.35626	59.7
440.35898	6.9
457.36679	60.1
458.37006	3.3
597.37744	2.6
615.38263	8.7
727.56885	2.2
787.34351	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03366	10.1
58.42817	2.0
61.02853	35.2
67.05423	17.7
69.03337	9.9
69.06993	22.5
69.07321	3.0
70.06513	34.9
72.08081	3.6
73.02838	17.7
73.18364	2.0
76.86031	2.0
79.05394	9.2
81.03343	3.9
81.06974	51.3
83.04911	2.2
83.08561	5.2
84.04444	17.4
84.08100	17.8
85.02828	62.0
86.09610	17.9
91.03886	26.8
91.05384	16.8
92.10895	2.5
93.06970	42.0
94.69273	2.1
95.01258	55.9
95.04897	2.9
95.08532	74.9
97.02823	44.1
97.06418	2.9
97.10090	2.5
98.05995	2.2
99.00751	2.7
99.04365	3.8
100.11237	2.6
101.02347	3.6
101.07064	2.9
101.20858	2.7
102.05445	2.5
103.03886	2.7
105.06992	36.7
107.08536	57.8
109.02750	2.8
109.10113	50.2
110.07100	10.0
111.08012	12.6
113.02318	4.2
119.08541	44.1
120.08053	5.2
121.10103	42.3
121.90293	2.3
123.11658	18.9
125.09572	2.5
127.03864	17.3
129.10207	10.8
130.06519	2.8
131.08508	11.1
133.10097	40.4
135.11670	35.5
136.07487	3.3
137.13208	2.4
139.11154	4.6
141.01811	100.0
145.04922	14.3
145.10077	26.5
147.11656	29.8
149.09581	3.0
149.13243	29.1
150.34138	2.3
151.04024	2.4
151.11154	4.4
157.10080	8.9
159.02802	9.8
159.11674	31.0
161.09554	3.1
161.13184	24.9
163.05952	11.8
163.11191	3.4
163.14809	11.4
171.11691	3.1
173.13242	19.3
175.14763	14.9
177.16356	13.2
185.13240	4.0
187.14758	10.1
189.16400	19.7
191.17879	4.4
199.14775	3.5
201.16325	18.8
203.18034	15.9
205.15746	4.1
207.17407	2.7
213.16307	3.9
215.17979	9.2
217.19489	3.0
219.17458	10.6
227.17897	8.0
231.17406	2.4
245.18916	3.3
253.16388	2.6
263.20029	4.4
381.31400	3.3
421.34518	25.7
422.34631	2.9
439.35706	51.3
440.36057	3.6
457.36639	55.2
494.19760	3.2
615.38574	5.1
748.54468	2.6
786.33221	3.1
803.34418	2.7
812.56976	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	813.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03360	3.5
61.02848	34.2
65.10752	2.2
67.05427	25.7
69.03346	9.2
69.06993	22.0
70.06512	34.4
71.04911	2.5
72.08069	4.2
72.45956	2.0
73.02827	16.2
79.05401	13.3
81.03300	2.9
81.06978	49.9
83.08535	3.6
84.04430	9.3
84.08080	25.1
85.02832	51.5
86.09634	17.3
91.03882	26.5
91.05390	15.2
92.04224	2.1
93.06977	41.7
95.01254	48.0
95.04845	2.6
95.08535	83.6
97.02831	33.8
97.06449	10.9
97.10104	2.6
99.00735	3.9
103.03877	4.3
105.06982	47.8
107.07922	2.5
107.08537	67.6
108.08842	2.5
109.02827	4.2
109.06486	4.8
109.10109	51.8
110.07095	8.4
111.08028	10.3
113.02332	11.6
117.06971	9.3
117.39600	2.1
119.08534	72.5
120.08046	10.4
121.10101	48.5
123.11652	14.5
127.03887	10.6
129.10193	13.0
131.03363	3.0
131.08565	19.7
133.10104	46.8
135.11662	20.6
136.07544	4.8
141.00793	4.5
141.01808	100.0
142.07866	3.3
143.08516	4.6
145.04942	11.0
145.10107	38.6
147.11656	34.5
149.13242	43.0
151.11157	3.3
157.10091	10.1
159.02856	10.2
159.11655	41.2
161.13231	32.6
163.05968	12.4
163.14784	16.4
164.01717	2.4
171.11655	13.7
173.13303	20.2
175.14792	22.2
177.16325	10.8
183.11653	4.6
184.07285	2.8
185.13210	9.6
187.14745	14.2
189.16367	30.5
191.14221	3.4
193.15759	4.7
197.13226	3.6
199.14760	5.5
201.16367	19.5
203.17929	12.0
205.15880	19.2
207.17380	11.7
213.16362	14.2
215.17946	18.6
217.19423	3.5
219.17390	12.2
227.17818	9.7
233.18956	13.2
243.20981	2.7
245.18993	9.0
287.23526	2.6
381.31189	10.2
403.33548	3.4
409.34381	3.2
421.34619	38.7
422.34827	2.8
439.35641	69.8
440.36017	2.7
457.36649	44.1
501.73096	2.4
579.37103	3.0
597.37933	4.1
604.11890	2.9
643.74750	2.5
650.58984	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	814.556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03370	8.8
57.07011	32.0
58.52620	0.4
59.79793	0.4
60.08086	1.0
63.14703	0.4
67.05433	6.8
69.06985	6.7
71.07285	7.3
71.08548	20.0
78.88759	0.4
81.06975	8.1
83.08536	6.3
85.10104	10.6
86.09627	45.4
87.09911	0.5
89.05943	1.1
93.06966	0.7
95.08540	11.6
96.08883	0.5
97.10098	3.6
103.07491	0.9
104.10687	6.1
109.10092	5.1
111.11698	0.6
123.11625	1.7
124.99980	3.6
137.13263	0.7
146.98158	68.1
153.85606	0.5
164.99231	2.4
170.00534	0.4
184.07272	7.7
185.07597	0.6
201.00165	0.8
239.23747	2.0
257.24680	2.4
313.27310	38.2
313.84497	0.5
314.27759	2.4
417.25861	0.6
459.24719	28.9
518.32080	100.0
519.32422	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	814.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06535	0.3
60.07784	0.3
60.08091	8.1
61.08425	0.2
67.05423	0.3
71.07285	4.5
81.06953	0.3
84.42209	0.1
86.09624	47.1
87.09947	1.8
92.10969	0.3
95.08559	0.2
98.98384	4.4
104.08676	0.1
104.10680	3.4
116.99442	0.2
122.14409	0.2
124.99958	33.3
126.00295	0.3
129.16933	0.2
143.00920	0.5
155.83783	0.2
184.07297	100.0
185.07645	4.1
186.07727	0.8
189.14696	0.1
269.41934	0.1
462.74152	0.1
569.34772	0.2
631.42706	0.2
796.55121	2.5
797.53638	0.2
813.54114	0.2
814.41876	0.3
814.55463	4.5
815.55194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06530	0.2
59.07300	0.1
60.07785	0.3
60.08092	9.5
67.05417	0.2
71.07286	5.2
80.81006	0.1
86.09623	54.1
87.09975	0.8
97.57738	0.1
98.98387	5.1
100.76065	0.1
104.10670	4.4
124.99959	39.0
126.00316	0.2
128.19783	0.1
143.01033	0.6
152.63345	0.1
173.16237	0.1
184.07297	100.0
185.07677	1.7
199.93346	0.2
294.81854	0.1
796.54700	3.2
797.53339	0.5
814.55841	2.4
815.55518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06525	0.3
60.08092	8.8
71.07288	5.1
81.07008	0.2
86.09623	50.1
87.09956	0.6
90.72668	0.1
92.10224	0.3
98.98389	4.2
101.23866	0.2
104.10669	3.2
118.33815	0.1
124.99957	36.1
126.00294	0.2
136.34135	0.1
143.01013	0.6
184.07295	100.0
185.07663	1.3
266.00119	0.2
674.43506	0.3
714.46423	0.6
796.54602	1.7
797.54523	0.2
814.55792	4.7
815.55096	0.9
818.13501	0.2
822.95441	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	814.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06540	0.3
59.38034	0.1
60.08095	8.9
67.05430	0.3
68.29765	0.1
70.48978	0.1
71.07288	4.3
75.29498	0.1
79.05387	0.2
81.06987	0.3
86.09628	47.1
87.09953	0.9
91.06769	0.1
92.10860	0.2
93.06984	0.2
98.98400	3.9
100.12054	0.2
104.10683	2.5
124.99965	32.2
128.00391	0.1
143.01021	0.6
172.97687	0.2
179.67032	0.1
184.07309	100.0
185.07639	1.4
226.14017	0.2
293.14502	0.2
297.02249	0.2
302.26999	0.2
381.04474	0.2
405.36786	0.2
515.22589	0.2
656.48340	0.2
778.53699	13.5
779.53979	2.2
796.53339	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	814.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06531	0.3
60.08096	8.3
67.05434	0.5
71.06933	0.2
71.07291	4.6
79.05416	0.1
81.06956	0.5
84.71606	0.1
86.09626	47.4
87.09478	0.1
87.09939	1.0
92.63548	0.2
93.06970	0.2
95.08538	0.2
98.98392	4.5
104.10686	3.2
109.10203	0.1
114.36331	0.1
116.99457	0.2
124.99960	33.4
126.00282	0.2
143.01028	0.6
184.07304	100.0
185.07642	2.9
186.07742	0.2
206.10715	0.1
328.29507	0.1
330.45950	0.1
389.76294	0.1
485.03003	0.1
502.95026	0.2
665.54071	0.2
778.53638	11.2
779.53784	2.0
795.52460	0.3
796.54645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06541	0.2
60.08093	9.5
63.71655	0.1
71.07288	5.0
71.07659	0.3
74.49791	0.1
76.92281	0.1
81.06945	0.2
86.09624	49.7
86.87302	0.1
87.09953	1.2
98.98392	4.6
100.07533	0.1
102.77988	0.1
104.10679	4.4
116.99503	0.2
124.99958	35.2
126.00314	0.1
143.01053	0.7
184.07300	100.0
185.07642	1.9
308.98883	0.2
466.87473	0.1
596.24084	0.2
675.32074	0.2
713.95032	0.2
796.54529	4.1
797.53766	0.7
814.55658	2.9
815.55322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06529	0.3
59.17775	0.1
60.08095	9.5
67.05442	0.2
71.07290	4.4
75.59047	0.1
86.09627	46.6
87.09975	0.8
92.63748	0.1
98.98397	4.3
104.10679	3.6
116.99485	0.2
124.99963	32.6
143.01050	0.9
167.49840	0.1
184.07304	100.0
185.07649	0.8
502.32645	0.1
594.59906	0.1
617.32739	0.2
666.70862	0.2
674.43475	0.6
778.53448	0.2
796.54498	1.9
797.54510	0.3
814.55676	4.0
815.55634	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	815.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03374	0.3
60.04448	0.6
61.01079	0.3
61.02847	0.3
65.03857	0.2
66.28417	0.1
67.05427	1.4
69.03343	3.2
69.06988	2.5
70.02879	0.1
70.06509	5.1
71.01247	0.2
71.04907	0.9
71.06848	0.1
72.08064	0.2
73.02818	0.5
73.06454	0.1
74.05989	0.5
79.05404	1.8
81.03335	2.7
81.06973	1.1
83.04900	5.6
83.05993	0.3
84.04427	2.8
84.08065	4.1
85.02338	0.2
85.02830	4.8
85.06461	0.2
86.09616	1.5
87.04396	0.1
91.05401	3.5
92.10276	0.4
93.04471	0.2
93.06979	2.1
95.04897	2.3
95.08540	0.8
97.02822	19.4
97.06461	4.7
98.05981	0.3
99.04386	4.8
101.05995	0.2
101.07070	0.3
102.05481	0.3
103.03883	4.1
103.05396	0.2
104.05263	0.2
105.03352	0.2
105.06972	4.2
107.04898	0.7
107.08537	1.2
109.02149	0.2
109.02834	2.8
109.06468	1.5
109.10105	0.1
110.07124	1.6
111.04385	0.6
113.05952	0.2
115.03841	0.3
115.05389	0.3
117.06959	1.4
119.04917	1.1
119.08540	1.2
121.06461	3.8
121.10115	0.3
123.04385	0.6
125.05951	5.6
125.06892	0.2
126.05454	0.2
127.03875	100.0
128.04205	1.2
128.06171	0.5
129.06996	0.9
129.10193	2.6
130.04980	0.7
130.07761	0.6
131.04897	0.1
131.08548	2.7
133.06451	0.9
133.10083	0.6
135.04364	0.3
135.08038	0.5
135.11659	0.1
136.07549	2.3
137.05994	0.2
137.07912	0.2
141.06947	0.5
142.07765	0.5
143.07010	2.8
143.08539	1.1
144.09305	0.3
145.04951	2.5
145.06433	1.5
145.10101	6.2
145.11252	0.2
147.07808	0.6
147.11725	0.2
149.05995	0.2
151.07507	0.6
153.06877	0.2
155.08469	0.7
156.09244	0.1
157.06401	0.2
157.10123	0.7
158.07210	0.7
159.08034	1.2
159.11646	2.6
161.05922	0.3
161.09604	0.2
163.05977	0.7
163.07503	0.5
163.11145	0.7
165.05437	0.2
165.06923	0.2
167.08467	0.2
169.06302	0.2
169.10112	0.9
171.07994	0.6
171.11595	0.2
172.08827	0.8
173.05826	0.1
173.09566	4.5
173.10966	0.2
175.07495	0.2
175.11217	0.2
177.08998	0.4
177.12669	0.9
185.09557	0.8
187.05954	0.7
187.07532	0.8
187.11150	3.2
189.08994	0.2
191.07028	0.2
191.10629	1.1
195.08099	0.1
195.11598	0.7
196.08714	0.2
197.09602	0.3
199.11143	0.4
201.09151	0.2
203.06937	0.2
205.08592	0.6
205.12175	1.6
209.09673	0.2
209.11636	0.5
213.08957	0.2
215.07161	0.2
215.10631	2.4
219.11594	0.2
222.12502	0.2
223.11197	0.3
233.08023	0.3
233.11612	1.3
237.12732	0.2
240.13493	0.2
241.12270	0.2
251.12755	0.6
255.13687	0.2
259.13284	0.5
265.12271	0.3
269.11688	0.8
271.08087	0.7
283.13272	1.0
285.14691	0.2
287.12790	0.2
289.09119	0.3
293.11621	0.5
301.14340	0.6
302.18561	0.1
307.10205	0.3
311.12729	1.5
329.13782	1.6
347.14700	1.8
347.71484	0.1
348.15140	0.1
365.15982	0.1
383.16821	1.1
389.86591	0.1
415.12100	0.1
433.13333	3.6
434.13660	0.2
664.99878	0.2
763.81421	0.1
797.65680	0.2
814.57959	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	815.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96492	7.6
65.68058	0.2
67.05402	0.4
67.94725	0.3
70.06508	3.3
74.97540	0.4
84.04430	2.3
84.08054	1.9
84.95969	0.4
85.02836	0.7
85.06437	0.4
86.09628	0.4
90.06815	0.2
91.05367	0.3
98.97498	6.1
108.28889	0.3
110.07137	0.6
116.98555	7.3
120.08056	0.4
121.39976	0.3
128.98572	1.9
130.56032	0.4
131.08504	0.6
134.99608	4.5
136.07558	0.6
139.00655	0.7
145.01718	0.4
146.98578	0.3
146.99608	2.3
152.90331	0.3
153.00610	0.4
157.01677	3.1
158.99612	1.7
159.03271	0.7
161.01112	0.6
165.00684	0.4
169.01668	1.5
170.99640	0.3
175.02725	0.7
177.00670	2.6
177.05478	0.4
179.02225	0.4
185.01131	0.3
187.02742	2.1
189.00618	0.4
193.05299	6.8
195.03232	0.6
197.04729	1.0
199.02669	0.6
205.05261	4.0
207.03239	1.7
209.04913	1.2
211.06375	18.3
213.04253	0.4
215.05891	0.4
219.01685	4.0
221.04802	5.2
223.02834	1.2
223.06361	49.6
224.06700	1.3
225.04292	4.2
227.12637	1.4
229.07443	2.8
235.06363	0.4
237.02705	13.8
239.05838	3.7
241.07407	31.8
242.07753	0.5
243.05336	1.4
246.07994	1.2
247.06334	11.1
247.08737	0.5
253.07437	0.7
255.03894	1.5
259.08679	0.4
264.09027	0.4
265.07391	22.0
266.07495	0.4
271.08453	1.8
277.07385	1.5
279.08917	1.3
283.08450	29.0
284.08865	1.2
288.09033	0.5
293.06879	0.4
295.08258	0.3
301.09634	2.9
306.10110	0.6
307.08508	4.2
315.07336	0.3
325.09476	1.1
337.09692	0.4
349.09537	1.2
367.10556	49.5
368.10864	2.1
385.11569	3.0
427.12738	100.0
428.13000	4.5
440.60419	0.4
815.29510	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13245	0.3
69.06989	3.1
70.06512	5.6
74.06002	0.4
77.31940	0.3
83.35871	0.4
84.04411	1.8
84.08070	2.7
85.03939	3.7
86.09628	34.2
87.09977	0.5
88.03889	1.5
91.05409	12.8
96.23476	0.3
102.05445	0.3
107.04900	2.2
110.07130	0.4
118.06509	0.8
119.04903	10.3
120.08062	0.6
129.10191	1.4
130.06522	1.8
132.08086	4.2
135.06764	0.7
136.07553	100.0
137.07892	1.8
144.08031	0.9
146.06001	9.1
147.04405	1.8
148.07616	0.9
158.08301	0.3
159.09140	4.9
160.07562	0.7
170.05888	0.6
178.50854	0.3
188.05440	0.7
188.07025	15.1
189.07329	0.4
191.08083	0.6
193.09726	0.6
204.13788	1.8
205.09697	4.9
206.08121	0.8
216.11340	2.8
229.11913	0.4
234.07446	0.4
244.10823	0.7
249.15926	12.3
251.10219	9.5
254.11829	0.5
261.08817	0.6
262.11871	6.7
271.05917	2.1
277.15558	3.5
279.09689	2.5
319.58182	0.3
336.11914	2.5
365.80823	0.4
392.18066	9.5
393.18179	0.5
425.18079	3.1
471.18439	0.5
499.18073	1.8
522.19452	0.6
527.25024	3.8
540.20801	1.9
555.24390	2.2
584.26996	0.6
612.26788	2.6
632.27136	0.4
770.34851	0.4
816.34888	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	818.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20215	1.2
67.05420	2.8
70.94963	1.6
71.07288	23.0
79.05425	1.9
81.06968	6.1
86.09624	97.9
89.01297	1.5
92.10923	7.1
93.06974	3.0
95.08538	2.4
162.95534	40.1
184.07339	6.6
189.72519	1.6
199.10370	1.7
627.72314	1.9
635.43860	9.9
640.08636	2.1
662.19672	1.8
759.43475	100.0
760.42999	10.0
818.35992	2.2
818.50775	62.5
819.50824	6.5
849.98651	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70391	0.6
62.98604	0.7
63.71841	0.7
65.03871	1.3
65.23277	0.7
67.05427	29.2
68.65721	0.7
69.06996	8.2
71.04935	1.1
71.07291	22.0
71.25716	0.7
79.05406	21.7
81.06979	23.7
83.08542	3.3
86.09626	100.0
87.09957	1.8
91.05408	15.6
92.10892	1.0
93.06975	19.8
95.04890	4.1
95.08534	19.8
98.98418	1.2
105.06985	11.7
107.08525	7.1
108.75400	0.8
109.10123	3.8
117.07004	1.4
119.08532	9.3
121.10134	4.0
121.19917	0.9
124.99961	6.1
131.08568	3.3
133.10069	6.2
135.11687	1.9
146.98154	50.4
147.11714	1.4
149.13136	1.1
163.01512	1.3
164.99208	1.7
176.02411	0.8
184.07281	10.0
185.07678	1.4
352.29233	0.8
433.49573	0.9
595.47504	1.1
634.45221	1.6
635.46326	80.8
636.46625	7.4
758.44843	1.8
759.45483	90.6
760.46564	9.5
790.55511	1.0
818.52832	65.0
819.53143	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	818.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31517	0.7
60.08091	1.3
65.03854	0.7
67.05434	19.5
69.06987	4.7
71.04926	0.8
71.06937	1.1
71.07297	17.8
71.08555	1.5
79.05410	12.4
79.41022	0.7
81.06982	15.8
83.08568	0.8
86.09630	76.3
86.73569	0.7
87.09955	1.4
91.05431	7.7
93.06960	9.5
95.04911	2.7
95.08533	12.6
97.06456	0.8
98.98417	0.8
99.08014	0.8
105.07002	4.5
107.08562	3.7
109.10117	1.6
117.06976	0.6
119.08562	1.3
121.10119	2.9
124.99979	9.2
131.08627	0.8
133.10085	1.7
146.98169	30.9
159.76286	0.8
164.99289	1.0
173.73822	0.7
179.14203	1.4
184.07323	19.0
185.07693	1.1
317.20792	1.3
477.71686	0.8
635.46356	88.3
636.46753	10.7
674.41992	0.7
759.45557	100.0
760.46008	10.0
771.44482	0.9
818.52863	42.7
819.53296	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	818.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07007	1.0
60.08090	11.0
67.05422	8.2
69.06981	1.6
69.67966	0.7
71.07289	10.9
76.34908	0.8
79.05384	3.6
81.06966	4.0
83.04906	0.9
86.09628	78.1
91.05406	2.0
91.77769	0.8
93.06971	3.2
95.04866	1.6
95.08543	3.8
95.42804	0.8
98.98392	5.1
104.10667	4.9
105.06949	1.5
106.97980	0.8
117.20078	0.8
119.08559	1.0
124.99968	38.3
138.06418	0.8
146.98163	9.4
148.23306	0.9
184.07304	100.0
185.07666	1.7
274.01007	0.9
635.46271	28.9
636.46216	1.3
759.32159	1.2
759.45605	36.1
760.45380	3.4
800.57172	1.5
818.53839	13.1
818.71722	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81577	1.1
59.32008	0.9
59.93677	1.1
60.08091	2.1
67.05433	9.7
69.06995	1.3
71.07291	20.3
78.47322	1.3
79.05394	2.4
81.06994	8.0
86.09631	100.0
87.09969	1.7
92.10186	2.4
93.06998	2.4
95.08553	4.8
109.10098	1.6
113.71850	1.0
124.99982	11.2
144.74092	1.4
146.98247	2.7
149.85703	1.2
162.95551	32.0
180.61870	1.5
184.07315	29.1
245.74600	1.2
295.25751	1.2
417.44919	1.4
466.04578	1.3
470.55020	1.3
564.75586	1.4
637.46021	7.8
761.45044	93.8
762.45490	13.2
777.06641	1.3
815.52502	1.5
820.52338	65.3
821.52649	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	820.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07003	0.8
60.08084	3.4
62.27227	0.7
65.03854	1.4
65.71629	0.9
67.05425	30.0
69.06982	5.1
70.06504	0.8
70.10335	0.9
71.07293	22.9
71.07664	1.6
71.08535	0.7
71.31813	0.7
75.61864	0.7
79.05401	12.2
81.06981	22.3
83.04916	0.8
83.08529	1.4
86.09627	100.0
87.09963	2.0
90.33160	0.8
91.05398	6.9
92.10907	1.0
93.06978	8.4
95.04902	1.5
95.08534	17.4
98.98366	1.9
103.74232	0.9
104.10640	1.3
105.06970	4.4
107.08552	2.0
109.10119	4.2
119.08553	1.6
121.10107	3.6
123.11591	0.9
124.99947	16.8
125.00671	0.8
133.10100	1.6
134.82199	0.9
135.00850	0.9
136.64421	0.9
146.98158	39.2
147.11676	0.9
164.99202	1.4
184.07298	38.8
185.07622	7.2
186.07744	1.2
229.11642	0.9
265.43811	0.8
347.09534	0.8
382.14096	1.0
452.69818	1.1
489.23108	0.8
492.48413	0.9
600.05219	0.8
637.47913	87.4
638.48199	9.5
761.47058	95.4
762.47882	8.3
781.85278	1.0
820.54395	57.8
821.54993	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	820.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03882	1.3
67.05434	32.8
69.07000	6.0
71.07295	18.0
79.05411	11.8
81.06982	24.8
83.08536	1.8
86.09632	75.3
87.10021	1.0
91.05414	8.7
93.06977	13.3
95.04935	3.5
95.08531	17.1
97.06484	1.4
97.30646	0.9
105.07018	4.7
107.08547	6.4
109.10139	5.5
116.60499	0.8
117.06937	1.0
119.08572	1.8
121.10148	4.9
124.99960	6.4
131.08557	1.7
146.98169	41.6
157.20145	1.0
161.13312	1.0
163.01543	1.5
184.07317	11.1
185.07567	0.9
345.10989	1.0
359.25507	1.1
444.09399	0.9
636.45233	0.9
637.47998	100.0
638.48413	9.8
761.47192	66.3
762.47552	7.2
820.54523	60.8
821.54907	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	820.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98893	0.9
67.05427	34.2
69.06980	5.2
70.44772	0.9
71.07294	16.3
79.05402	11.2
81.06984	28.2
83.08511	1.4
86.09629	68.6
91.05395	6.3
93.06973	13.4
95.04912	2.3
95.08537	17.1
105.06991	4.8
107.08566	5.5
109.10146	5.4
119.08600	1.4
121.10088	2.3
123.11661	1.3
131.08553	1.9
133.10078	1.9
133.37201	1.1
146.98155	45.2
173.13229	1.0
184.07382	1.8
257.34653	1.0
271.29544	1.0
287.01566	1.1
296.22458	1.1
426.71597	1.1
471.08252	1.2
637.47931	69.7
638.47943	9.3
761.47144	100.0
762.47601	15.5
820.54431	69.5
821.54388	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	820.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08087	8.2
62.96165	1.3
63.09936	1.5
67.05426	34.9
69.06974	7.9
71.07282	16.9
79.05394	9.3
81.06973	28.9
86.09626	100.0
87.09956	3.8
90.80116	1.5
91.05397	9.5
93.06952	12.8
94.99706	1.4
95.08545	17.5
98.98392	3.6
104.10651	2.1
105.07002	2.7
107.08514	3.0
109.10093	3.3
119.08529	2.3
124.99959	27.6
133.10069	1.7
138.56538	1.4
146.98143	28.1
158.89128	1.6
184.07300	67.3
185.07620	8.5
223.14201	1.6
232.72392	1.7
246.01555	1.6
286.72202	1.7
337.95331	1.8
424.80914	2.0
637.47870	87.2
638.48071	8.7
761.47076	65.8
762.46570	7.9
768.10461	1.5
819.58124	1.9
820.54608	39.9
821.54095	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	821.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81998	1.2
62.52796	1.0
63.70893	1.0
71.93914	1.2
91.61768	1.4
94.92939	8.7
120.94521	1.4
136.94000	86.0
148.94016	21.5
151.77336	1.4
166.95052	31.5
173.02927	1.5
178.95032	2.8
190.94841	1.5
196.96121	7.8
200.48235	1.4
245.04988	1.6
249.34666	1.5
256.98132	5.3
381.07932	38.7
419.03485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.6371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03366	0.1
58.06547	0.4
60.08096	7.3
67.05429	0.7
67.16370	0.1
69.06980	0.4
71.07290	3.0
79.05415	0.1
79.18229	0.1
81.06977	0.6
83.08567	0.1
83.55462	0.1
86.09628	38.9
87.09960	0.5
91.05421	0.1
92.10287	0.2
95.08534	0.4
98.37181	0.1
98.98395	2.7
104.09996	0.1
104.10680	3.5
105.07014	0.1
112.39214	0.1
119.08484	0.1
124.99964	29.2
126.00300	0.1
126.30987	0.1
137.21432	0.1
143.01062	0.7
163.01463	0.1
184.07310	100.0
185.07666	1.5
252.13753	0.1
337.27353	0.1
345.74237	0.1
395.09573	0.1
436.39413	0.1
502.32788	1.3
503.32928	0.1
520.33893	15.4
521.34271	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.6369
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06539	0.9
58.78437	0.5
60.08095	16.4
64.12274	0.5
67.05425	3.7
69.06989	1.1
69.10459	0.4
71.07288	5.8
75.33283	0.5
79.05400	0.9
81.06986	3.6
83.08521	0.7
86.09628	60.1
86.26131	0.5
89.06407	0.5
91.05392	1.0
93.06949	0.8
95.08548	2.2
98.91076	0.5
98.98400	4.0
104.10681	93.3
105.11040	1.0
107.08564	0.7
109.10091	0.6
124.99963	35.8
142.58020	0.6
148.20828	0.7
184.07306	100.0
185.07617	1.0
220.87354	0.6
241.62663	0.7
255.54317	0.6
300.42389	0.6
305.64563	0.6
337.27133	0.7
343.56412	0.6
502.32748	4.8
520.33911	59.0
521.34039	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	822.585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07006	0.9
58.06537	0.7
60.08091	9.4
67.05437	1.0
71.07301	5.4
79.05392	0.7
79.59467	0.5
81.06984	0.6
81.82546	0.5
85.02757	0.5
86.09633	47.1
87.09945	0.6
95.04855	0.5
95.08504	0.6
98.80365	0.5
98.98394	4.5
104.10677	4.2
105.06977	2.5
112.08559	0.5
121.18495	0.5
122.09602	0.6
124.99971	35.4
184.07312	100.0
185.07646	1.2
187.30098	0.5
373.88245	0.6
412.31885	1.1
462.89291	0.5
650.43518	3.0
704.47748	2.4
763.45276	0.7
772.53644	2.3
822.58777	5.8
823.57928	0.9
837.75098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08094	7.9
61.02855	26.4
62.25200	1.1
67.05427	18.7
68.99683	1.1
69.03356	5.3
69.06980	15.5
71.01295	4.0
71.04925	1.3
71.07288	5.9
73.02821	17.8
77.79265	1.1
79.05396	12.2
81.03320	2.5
81.06970	40.4
83.04920	1.5
83.08569	8.2
85.02826	57.3
86.09625	53.9
87.09940	2.3
88.09716	1.0
91.03880	26.7
91.05408	11.6
93.06975	35.7
93.18635	1.1
95.01254	48.3
95.04890	1.5
95.08530	87.5
97.02827	22.8
97.06502	1.4
97.10088	5.9
98.98418	4.5
99.00745	5.5
99.04385	1.7
101.02280	1.9
103.03889	5.0
104.10703	2.2
105.06967	33.1
107.08540	48.3
109.06480	1.2
109.10101	46.5
111.08035	8.5
113.02307	8.2
115.03887	1.4
117.06962	2.4
119.08541	40.7
121.10094	38.7
122.10352	1.4
123.00713	1.3
123.11655	17.5
124.99951	36.4
127.03878	9.5
131.03375	1.8
131.08527	10.4
133.10101	41.9
135.07945	1.1
135.11649	26.3
137.13216	5.8
139.11177	2.0
141.01797	100.0
142.02173	1.3
143.08492	2.5
145.04901	8.4
145.10091	19.3
146.11008	1.4
147.11658	29.0
149.13213	16.4
157.10098	7.0
159.02846	9.1
159.11656	23.7
161.13231	20.9
163.05975	12.0
163.14778	13.2
171.11688	7.0
173.13214	20.3
175.14792	14.1
177.03966	1.7
177.16333	14.0
184.07300	97.5
185.07710	7.8
185.13200	4.9
185.92708	1.2
187.14764	17.1
189.16347	24.0
191.14221	1.4
191.17952	5.4
199.14799	8.4
201.16382	24.4
203.17923	26.4
205.15865	1.9
205.19476	4.3
207.17409	2.0
213.16339	5.9
215.17957	11.8
217.19542	10.7
219.17384	4.5
227.17839	7.7
229.19516	11.5
231.21051	1.3
239.18102	1.3
241.19527	2.5
243.21057	13.8
245.19052	1.3
253.19525	1.8
255.21042	6.9
257.22577	6.5
259.20483	1.2
261.21970	1.3
269.22607	8.8
273.21887	1.4
281.22653	2.0
283.24057	1.5
295.24014	1.4
365.31955	5.4
370.67133	1.3
382.04758	1.2
405.34988	23.9
423.36133	80.2
424.36572	2.2
449.37827	2.1
467.38464	2.6
491.31793	1.3
581.38159	8.7
599.39252	5.6
822.54370	5.0
823.54517	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	824.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12001	0.3
60.07828	0.4
60.08097	8.1
67.05404	0.6
69.58199	0.4
71.07290	4.2
72.08045	0.4
86.00597	0.5
86.09628	49.0
87.09969	0.6
97.01023	0.4
98.98426	3.7
104.10699	4.4
109.10113	0.4
117.87151	0.3
124.99964	34.5
184.07306	100.0
185.07613	1.9
186.65767	0.3
277.61148	0.3
318.90442	0.4
806.47589	0.4
824.48230	15.8
825.49731	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	827.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45732	0.3
59.30399	0.3
62.94707	0.3
69.03340	1.8
70.06139	0.6
70.06507	13.3
72.08047	0.4
81.03336	2.5
84.04425	1.8
84.08069	0.6
85.02834	6.0
97.02833	4.1
99.04383	3.2
99.87698	0.3
103.03886	4.1
103.05406	1.7
109.02833	2.5
115.03880	0.3
115.08614	0.4
116.07043	27.8
120.08057	35.9
121.08434	0.7
127.03878	100.0
128.04175	1.6
144.04491	0.7
145.04964	2.3
154.52484	0.3
163.05988	0.7
166.08638	0.3
187.05940	0.7
201.00681	1.6
255.06514	0.6
263.13876	10.3
264.14148	0.4
271.07996	0.6
304.34790	0.4
311.77777	0.4
372.71805	0.4
433.13312	12.7
434.13828	0.6
532.82294	0.4
669.56049	0.4
775.71448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08094	11.1
67.05420	4.1
69.03399	0.8
71.07300	8.5
79.05392	1.5
81.04364	0.9
81.06963	1.1
86.09631	69.9
87.09958	1.0
87.20698	1.0
91.05422	1.2
93.06899	1.0
94.83993	0.9
95.08509	1.4
98.98398	4.3
104.10669	5.2
109.10130	1.1
111.34884	0.9
119.08572	1.2
124.05544	0.8
124.99971	40.9
141.87259	1.1
143.00940	1.2
146.98146	1.9
184.07310	100.0
185.07701	1.2
202.48767	0.9
250.29561	1.0
490.93262	1.2
518.84088	1.1
634.28333	1.1
643.45270	1.0
645.47070	8.2
769.45880	15.3
810.52765	4.3
828.53680	15.9
829.51251	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5738
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07876	0.7
60.08102	10.5
71.07277	4.4
79.05389	0.9
86.09627	50.7
87.09910	1.0
94.56622	0.8
98.98404	5.1
104.10664	3.6
122.09657	1.1
124.99968	37.7
143.01115	1.1
184.07307	100.0
185.07657	0.8
246.15863	0.9
326.78168	0.9
449.25986	1.0
472.09253	0.8
522.63416	0.8
796.53632	3.7
828.57178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5734
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07824	0.6
60.08095	10.4
67.05406	0.7
71.07279	4.2
81.06969	0.5
86.09625	49.4
87.09991	0.7
91.97121	0.5
98.98392	4.3
104.10666	2.9
124.99956	34.1
184.07294	100.0
185.07530	1.9
272.18298	0.5
273.79114	0.5
289.40533	0.5
343.56458	0.5
576.24707	0.5
728.57635	0.5
769.44958	0.9
778.53473	3.6
796.54315	4.4
828.52844	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	829.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02848	7.8
64.64155	1.7
67.05419	11.9
69.03339	9.2
69.06978	3.5
70.06506	21.8
71.04906	3.7
72.08081	3.5
73.02822	2.9
74.28352	1.6
79.05411	11.7
81.03320	2.8
81.06987	13.8
83.04890	2.7
84.04427	9.3
84.08062	15.8
85.02833	16.8
86.09634	4.1
87.00744	2.1
91.05405	8.2
92.10332	2.1
93.06966	10.4
95.01257	2.4
95.04903	10.0
95.07968	2.5
95.08540	46.0
97.02827	100.0
97.06457	3.2
99.04406	7.8
103.03829	1.7
105.01788	2.6
105.06960	18.4
107.04880	10.1
107.08562	19.2
107.09170	2.0
109.02814	3.8
109.06448	4.1
109.10106	32.7
110.07124	7.3
111.04405	2.1
117.07013	2.6
119.08539	20.9
121.06521	2.7
121.10102	10.2
123.08025	13.6
123.11630	2.2
125.05918	3.8
126.07578	1.7
127.03879	10.1
128.06215	2.3
129.06905	3.6
129.10211	7.7
131.08543	3.2
133.10089	17.9
135.08005	2.4
135.11627	10.0
136.07547	2.4
137.09598	25.0
139.04973	1.9
141.01805	19.1
143.08511	11.5
145.05064	1.9
145.06409	2.1
145.10103	10.6
146.07227	2.5
147.08003	10.5
147.11655	8.7
149.09634	23.7
149.13179	3.1
159.02759	2.0
159.11664	3.3
161.09592	43.6
161.13208	9.5
165.09100	32.3
165.12630	2.3
171.11624	3.0
175.14833	2.0
177.16301	2.2
179.10538	2.7
189.09094	7.3
189.12714	4.3
201.16258	2.4
203.17790	2.9
207.08467	1.9
207.10182	11.4
207.13783	32.4
213.16248	2.7
215.10715	2.4
225.11205	7.1
275.12781	3.3
282.77664	1.9
321.13409	2.9
357.15491	2.7
437.33875	7.1
455.34985	10.0
473.35858	4.2
749.45288	2.1
828.57440	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	829.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54314	0.8
63.56829	0.7
67.05408	1.0
69.03347	3.4
69.06977	1.2
70.06511	5.6
72.08073	1.2
75.99081	0.7
78.93744	0.8
79.05391	1.0
81.03334	1.6
81.06973	1.8
84.04425	3.6
84.08069	2.0
85.02829	3.5
86.37006	0.7
88.29729	0.7
91.05368	1.1
94.06472	1.5
95.04904	1.6
97.02828	5.5
99.04391	1.8
103.03886	1.3
105.06937	0.9
108.08046	1.0
109.02864	1.3
110.07101	1.6
111.04369	1.1
111.94964	0.9
112.03935	1.8
122.05962	5.0
124.07539	3.0
127.03868	64.8
130.06516	1.0
130.63579	0.8
134.05951	1.4
135.17885	0.9
136.07567	13.2
140.07037	20.0
145.02806	1.6
146.05997	4.9
146.09630	1.3
147.08052	1.0
148.07571	3.6
149.06050	1.0
152.07045	1.8
161.09604	1.1
162.05476	1.6
164.07021	23.7
166.08580	15.3
172.03914	4.7
174.05472	4.3
176.07039	4.7
177.05446	1.0
190.04926	1.8
204.06525	7.8
206.08136	1.2
210.11464	1.3
211.12350	1.2
218.07996	1.5
221.10629	1.3
222.11430	1.6
223.12369	1.1
225.10043	1.3
230.76877	1.0
235.08658	1.4
235.12303	3.5
236.13025	1.7
237.10249	8.0
237.13794	3.7
238.11075	2.0
239.11742	8.3
247.13115	1.8
248.09323	4.2
249.10138	7.4
250.10916	7.2
251.11696	17.0
252.12350	2.0
253.13326	4.0
263.11719	32.3
264.12518	5.1
265.09720	8.9
265.13306	45.7
266.13901	4.8
267.11279	3.4
268.11926	1.0
269.12701	1.6
271.05954	11.1
271.14407	1.6
272.06299	1.7
276.08771	0.8
277.09695	7.7
278.10342	3.5
279.11203	50.2
280.11789	4.6
281.12830	3.8
282.13199	1.2
283.10800	0.9
283.14313	1.3
285.12149	0.9
289.52905	0.9
291.11191	15.5
292.11865	3.8
293.12796	12.1
294.13373	1.6
295.10748	17.7
295.13998	1.3
296.11456	3.0
297.12274	21.0
298.12921	1.5
308.54034	0.8
309.12277	71.5
310.13007	29.7
311.10272	1.6
311.13791	27.2
312.14557	5.6
313.11551	1.8
313.15179	1.2
316.00278	0.8
319.10693	12.5
320.11505	1.8
321.12146	1.7
324.11169	1.2
333.92697	1.1
337.11755	100.0
338.08316	1.6
338.12457	44.6
339.13297	22.6
345.14334	1.0
355.12833	1.8
369.14392	30.6
370.15137	7.8
371.15900	9.5
393.84497	0.9
400.16327	1.6
401.13266	1.4
433.13120	1.9
434.16751	1.2
452.21860	1.6
458.16913	1.1
475.16934	1.4
478.19672	4.9
510.22284	3.6
515.99036	1.0
518.46539	1.0
581.54584	1.0
614.26703	12.0
635.26532	5.6
640.24915	47.6
641.25079	3.7
667.29071	1.3
672.27496	49.7
673.27692	3.8
732.58282	1.0
779.30713	1.0
797.32690	8.7
829.33881	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02866	29.8
67.05427	30.1
69.03339	12.9
69.06994	23.2
70.06509	35.1
71.01284	4.2
71.04912	4.6
72.08067	5.2
73.02814	15.9
79.05406	21.8
81.06980	58.6
83.04903	4.2
83.05949	2.6
83.08527	6.0
84.04425	12.2
84.08071	22.9
85.02832	56.6
86.09622	12.3
91.03865	25.1
91.05412	24.0
92.10181	2.6
93.06966	44.6
95.01252	37.8
95.04903	14.5
95.07964	5.2
95.08532	100.0
97.02830	97.7
99.04410	5.0
105.06982	47.4
107.04918	10.5
107.08540	70.4
109.06441	11.5
109.10107	68.3
110.07123	3.9
111.08030	17.5
113.02314	4.7
113.06028	3.1
119.08520	57.4
120.08062	4.1
121.06472	3.9
121.10092	42.1
123.07996	13.6
123.11630	12.6
127.03842	15.8
129.10197	14.7
131.03304	3.7
131.08585	19.5
133.10095	55.5
135.07988	15.1
135.11665	37.7
136.07570	5.1
137.09578	18.6
141.00774	5.5
141.01808	95.0
143.08513	12.1
145.04924	4.2
145.10081	37.5
147.08025	5.1
147.11658	41.2
149.09621	15.7
149.13269	28.4
151.11124	3.5
157.10135	15.3
159.02774	4.5
159.07953	3.6
159.11671	37.3
161.09589	33.3
161.13222	33.1
162.06442	2.6
163.05962	14.6
163.11104	5.3
163.14801	14.4
165.09145	19.5
171.11635	12.6
173.11899	2.6
173.13190	23.3
175.11143	3.4
175.14815	20.4
177.12785	3.1
177.16388	14.0
179.10710	2.8
183.11707	3.7
185.13197	5.7
187.14778	17.2
189.12729	3.9
189.16364	21.9
199.14803	5.2
201.16301	14.1
203.14365	3.7
203.17947	19.3
207.10112	4.5
207.13768	16.1
207.17349	4.1
213.16368	5.8
215.17924	6.3
219.17387	6.6
229.19508	3.9
231.17372	4.9
249.18481	4.5
308.77551	3.0
353.76923	3.3
357.15259	3.3
379.29861	3.4
397.30994	4.7
419.32950	11.1
425.34021	20.9
437.34091	50.3
455.35178	51.7
456.35379	4.4
469.40472	3.2
473.36191	47.0
536.21252	3.6
631.37799	4.6
828.57709	3.6
829.59442	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	829.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04476	3.0
60.11397	2.2
61.02852	22.3
67.05424	14.8
69.03352	10.6
69.06985	15.2
70.02872	4.2
70.06139	4.2
70.06507	100.0
71.04910	4.7
71.06854	4.2
72.08069	26.1
73.02817	12.6
74.06003	3.0
79.05405	15.4
80.11201	2.7
81.03339	4.5
81.06985	35.9
83.04864	3.1
84.04435	26.9
84.08066	37.3
85.02821	44.6
86.09635	28.7
87.05506	3.1
91.03856	19.1
91.05407	14.5
93.06975	27.8
95.01260	29.3
95.08533	63.6
97.02824	33.8
97.06465	3.4
98.05937	2.7
99.04372	3.1
102.05478	4.2
103.03890	10.7
105.06997	29.1
107.08524	45.2
109.02823	12.5
109.06461	4.9
109.10093	38.1
110.07115	16.5
111.08032	5.3
112.08733	3.1
113.02329	2.8
119.08541	38.7
120.08061	16.0
121.06450	2.9
121.10099	27.5
123.08023	5.3
123.11668	11.5
125.09503	2.6
127.03872	12.8
129.10204	17.4
130.06450	3.1
131.08531	13.9
133.10089	49.3
135.08015	4.6
135.11638	22.9
136.07568	5.4
137.09570	2.9
141.01808	58.2
143.08542	4.1
145.05008	3.2
145.10143	21.3
147.11662	27.4
149.13255	21.5
155.08136	3.2
157.10075	16.0
159.11647	21.4
161.09563	5.1
161.13242	20.7
163.05978	4.9
163.14807	12.3
171.11641	4.3
173.13220	16.5
175.11101	3.7
175.14804	12.9
177.16373	6.5
184.07248	3.9
187.14793	12.4
189.16356	13.7
199.14789	4.1
201.16376	6.4
203.17940	10.8
211.14662	4.2
213.16331	10.4
215.10516	3.3
215.17909	4.9
217.15700	3.1
231.17387	3.5
407.32602	3.1
419.32855	5.5
425.34055	6.7
437.34030	30.9
455.35263	31.5
456.35263	3.9
473.36133	30.7
520.30298	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	830.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06536	0.5
59.72305	0.1
60.08094	8.8
65.54110	0.1
67.05435	0.1
69.06984	0.1
71.07285	4.7
73.82061	0.1
79.05417	0.2
81.06995	0.2
83.78045	0.1
86.09626	48.5
87.09959	1.5
87.60186	0.1
93.06913	0.1
95.08527	0.2
95.63413	0.1
97.53893	0.1
98.98391	3.7
104.10674	3.8
124.99961	33.5
125.16280	0.1
126.00301	0.3
143.01039	0.9
143.41214	0.1
184.07303	100.0
185.07643	2.7
186.07777	0.6
269.20947	0.1
414.92270	0.1
672.42480	1.1
712.45770	0.9
776.51447	0.3
794.53113	2.3
795.52313	0.2
811.51483	0.2
812.54010	5.0
813.54022	0.8
830.55145	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08112	9.3
67.05426	20.5
69.06967	7.2
69.07299	0.9
71.07281	6.4
71.08550	14.9
71.99775	1.0
79.05408	12.5
81.06973	19.1
83.08520	6.5
85.10096	6.0
86.09631	51.7
87.09972	5.1
87.37231	1.1
91.05396	23.2
93.06988	12.1
95.04871	2.6
95.08540	16.6
97.10105	1.6
98.98383	7.8
104.10698	1.9
105.06975	20.3
106.07272	1.5
107.08503	6.6
109.10111	9.0
117.06967	6.4
119.08537	17.1
121.10086	2.6
124.99963	36.1
129.06924	2.4
131.08504	9.0
133.10123	9.4
135.11601	2.6
143.08540	2.3
144.96687	1.3
145.10043	6.6
147.11638	6.5
149.13289	1.5
157.10107	2.0
159.11691	4.2
161.13222	2.8
171.11574	2.1
173.13219	1.8
175.14873	2.2
184.07306	100.0
185.07642	7.8
185.13239	1.7
186.07684	1.3
215.18034	1.2
217.19463	2.1
241.19495	8.7
257.33441	1.2
259.20493	7.8
290.64401	1.2
313.27347	17.1
314.27612	1.8
315.23080	9.4
368.63116	1.2
463.49615	1.3
571.47125	49.2
572.47211	5.3
714.07355	1.5
831.53174	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	832.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02559	0.4
61.02856	7.0
62.63390	0.2
69.03345	2.8
73.02828	3.3
81.03334	0.4
85.02825	18.5
87.04419	0.3
91.03883	9.7
93.06930	0.5
97.02821	6.7
99.04379	1.1
103.05404	5.0
107.04890	1.9
109.02817	1.5
115.03892	0.5
118.04649	0.2
120.08057	100.0
121.08390	1.6
127.03876	8.7
131.04878	3.1
145.04932	7.7
149.05960	1.2
163.04594	0.3
163.05981	11.9
166.08606	24.3
167.08897	0.4
193.50461	0.2
289.08951	0.4
325.11218	6.5
360.61288	0.3
691.39575	0.2
722.63586	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06543	1.1
60.04458	5.7
65.03883	0.3
67.05431	0.9
68.04949	1.0
69.06995	2.5
70.02868	4.6
70.06511	78.3
71.06839	4.4
72.08070	53.8
73.08398	2.2
74.02346	1.3
74.05991	6.4
75.05541	0.2
76.02129	0.2
78.72602	0.2
79.05429	0.2
81.04453	0.5
81.06953	0.3
82.02838	0.4
82.05268	0.2
82.06483	2.5
83.04916	0.2
83.06023	4.1
84.04431	22.3
84.08067	100.0
85.02824	1.0
85.03960	1.3
85.04751	0.3
85.08398	5.6
86.05988	0.3
86.09628	44.0
87.05517	12.8
87.09962	2.9
88.03912	7.7
88.05796	0.3
88.62145	0.2
91.05405	17.9
92.05738	1.3
93.04438	2.1
93.06974	1.0
94.06522	0.3
95.04899	0.4
95.06027	1.0
95.08506	0.3
96.04421	1.4
96.08069	1.5
98.02335	1.6
98.05981	0.9
98.09620	2.0
99.05508	1.7
99.09166	0.5
100.07551	0.4
101.07069	4.0
101.10718	1.6
102.05484	7.7
103.05374	3.1
107.04896	3.1
108.08119	0.4
109.06494	0.2
109.07597	0.3
110.02364	0.9
110.05966	1.0
110.07116	19.3
110.09618	3.8
111.05511	0.7
111.07487	0.9
111.09190	1.9
111.09847	0.2
112.03928	0.4
112.07549	1.2
112.11167	0.9
113.07082	1.3
113.10731	0.5
114.05457	0.2
114.09129	0.4
115.05013	2.7
115.08640	2.0
116.03397	0.4
116.07036	0.3
117.05733	0.2
118.06501	0.9
119.04897	7.8
119.07313	0.3
120.08057	44.7
121.06436	0.3
121.08393	3.4
122.05969	0.3
123.05502	0.5
123.09143	0.3
124.03955	0.3
124.07534	0.2
125.07090	1.0
125.10712	0.2
126.05424	0.3
126.09147	0.9
127.04994	4.8
127.05850	0.3
127.08640	3.2
127.12305	0.3
128.10742	0.3
129.06560	1.9
129.10201	54.7
130.04961	1.0
130.08582	0.4
130.10553	3.4
131.08138	0.7
132.08064	0.9
133.06055	3.7
136.03931	0.9
136.07556	39.3
137.07925	3.3
137.10721	0.4
138.06606	0.4
138.09090	0.8
138.12738	0.9
139.05005	1.3
139.08652	2.3
139.12346	0.3
140.07033	0.9
140.10753	0.3
140.14276	0.3
141.06554	2.5
141.10197	6.1
142.10550	0.4
142.12259	0.2
143.04506	0.3
143.08173	1.2
143.11769	3.4
144.06564	0.4
145.06052	1.1
146.09572	0.3
147.04335	0.3
148.07550	0.3
150.05466	0.2
150.96945	0.2
151.05003	0.3
151.08669	1.4
152.14310	1.4
153.06578	1.0
153.10196	0.9
155.04535	1.5
155.08118	3.5
155.11775	4.0
156.07623	0.4
157.06050	1.4
157.09703	2.1
157.13312	1.4
158.09599	1.4
159.07646	2.0
159.11217	2.1
160.07591	0.4
160.11287	0.3
162.09035	0.3
165.10228	0.5
166.06117	0.4
167.04401	0.4
167.08167	2.4
167.11757	0.9
168.11223	0.3
169.06055	1.0
169.09712	4.4
169.13324	3.7
170.10072	0.3
170.13658	0.4
171.07649	1.5
171.11182	1.7
171.14960	0.4
172.07169	1.2
173.05510	2.6
173.09180	1.3
173.12846	2.1
176.10637	2.1
177.10179	0.4
178.08557	0.8
178.13399	1.0
180.11310	0.5
181.06079	2.0
181.09679	1.2
182.12871	1.3
183.07613	0.4
183.11282	2.0
184.07190	1.7
184.10803	0.3
185.05551	1.3
185.09174	4.7
185.12837	1.3
186.09070	1.7
186.12349	2.5
187.07101	1.2
187.10826	0.7
187.14389	1.2
189.08743	0.7
191.11729	0.4
192.07677	0.4
193.09714	1.1
194.09224	0.2
195.07600	1.0
195.11247	1.3
195.14905	0.3
197.12834	2.4
197.16449	0.9
198.08594	0.3
199.07101	1.3
199.18137	0.2
200.10236	0.4
200.13965	0.8
201.08736	0.3
201.12305	1.1
202.08301	0.3
202.12289	0.5
203.06587	0.3
203.11736	0.2
205.09682	0.3
207.11296	0.5
207.14944	0.5
209.05426	0.7
209.09114	0.4
209.16441	0.3
210.12325	0.9
211.10658	0.3
212.06624	1.1
212.10350	0.9
212.13834	0.4
213.08664	5.1
213.12213	0.7
214.08609	0.2
214.11771	0.3
215.13879	0.9
217.08148	2.4
221.09291	0.3
221.12764	4.5
222.12802	0.4
223.10692	2.4
224.17581	1.0
226.08167	0.9
226.11772	0.5
226.15500	0.9
227.06497	0.8
227.11403	0.2
228.13332	0.8
229.11757	0.9
230.07631	1.4
231.11221	1.1
231.14963	0.8
232.11153	0.3
233.09186	0.5
233.16342	0.2
238.08105	0.3
238.11760	0.9
238.15781	0.2
240.13287	1.5
242.18500	0.5
243.13397	0.3
245.07544	1.1
247.14355	0.4
249.12192	1.7
250.11934	0.3
251.10162	0.9
251.14891	0.4
252.09735	0.3
252.13390	1.8
259.14282	0.3
266.15308	0.3
268.12784	0.3
268.16473	1.1
270.14380	1.1
274.10214	0.3
277.11877	0.4
281.19452	0.4
283.10141	0.2
287.09622	0.4
295.10355	0.3
296.12271	1.4
297.15695	0.3
298.13855	0.5
304.16812	0.3
314.13297	1.3
320.12500	0.3
323.17197	0.4
354.17401	0.9
372.18463	1.0
395.18747	0.4
400.18448	0.3
670.32507	0.3
691.83911	0.2
748.77667	0.2
781.43518	0.3
808.21002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08094	9.2
63.06808	0.3
67.05410	2.8
69.06974	1.9
71.07291	9.6
71.08531	1.9
79.05390	3.1
81.06960	3.4
83.04916	0.5
83.08516	0.7
86.09625	71.7
87.09939	3.2
91.05389	2.2
92.10988	0.6
93.06965	2.6
95.04887	0.6
95.08514	1.0
98.98387	5.2
104.10683	3.8
105.06959	2.0
107.08498	0.7
107.60150	0.4
109.10101	0.6
118.02988	0.5
119.08604	0.5
121.10101	0.4
124.99960	37.8
126.00312	0.5
143.01012	1.0
146.60957	0.4
146.98157	5.5
159.11781	0.4
184.07301	100.0
185.07626	4.6
254.50031	0.4
294.38937	0.5
297.25287	0.4
317.20813	1.0
321.60590	0.4
357.23944	2.6
649.44196	30.9
650.44067	3.4
748.14764	0.5
772.48657	0.6
773.43481	25.6
774.44037	3.5
796.54382	0.7
814.56006	3.9
831.55286	1.7
832.50818	12.3
833.51044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06517	0.4
60.08092	9.8
64.68197	0.1
67.05434	0.2
71.07288	4.8
73.10767	0.1
79.05379	0.1
80.69098	0.1
81.06957	0.6
83.63531	0.1
86.09624	47.3
87.09960	0.7
88.09689	0.1
90.76929	0.1
95.08485	0.2
98.98390	3.5
104.10670	3.4
124.99959	33.8
126.00281	0.2
143.01016	0.8
143.78433	0.1
163.56702	0.2
184.07297	100.0
185.07663	1.7
674.43713	3.1
714.46790	2.0
778.52985	0.6
793.30432	0.2
796.54974	2.4
814.55554	3.5
815.55255	0.3
832.56873	4.4
833.56281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06523	0.3
60.08092	9.2
67.05419	0.2
67.45652	0.1
69.83493	0.1
71.06888	0.2
71.07285	5.0
71.78197	0.1
74.80128	0.1
79.05395	0.1
81.06968	0.2
85.11466	0.1
86.09624	49.1
87.09930	0.8
87.95396	0.1
92.10178	0.3
93.06982	0.2
94.45683	0.1
98.98396	4.3
104.10673	3.5
116.99390	0.2
124.99960	36.0
134.55080	0.1
143.01042	0.5
184.07298	100.0
185.07640	2.0
217.61861	0.1
308.82971	0.1
315.19403	0.1
458.04572	0.1
674.43616	1.6
675.43738	0.2
714.47009	1.7
715.46735	0.2
778.52631	0.5
796.54755	1.7
814.55438	2.2
815.54742	0.2
832.56836	3.8
833.57074	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	834.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08221	2.5
63.11661	2.7
71.07285	19.8
76.31685	2.8
80.28957	2.7
85.10586	2.6
86.09621	77.9
92.81792	2.8
93.06979	4.2
124.99874	4.0
139.94469	3.6
162.95631	5.0
184.07347	23.2
206.91798	3.0
296.99249	3.6
358.36020	3.2
651.43774	44.9
652.44006	5.9
749.43329	3.6
763.20215	3.4
775.43048	100.0
776.42755	19.1
834.50214	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85637	0.8
63.56231	0.8
65.03895	0.9
67.05428	15.4
69.06998	4.2
70.20892	0.8
71.07291	16.0
79.05401	9.8
81.06974	13.1
86.09629	70.1
91.05398	8.6
93.06982	6.8
95.04900	1.0
95.08546	5.8
97.06500	1.6
98.98404	1.6
105.06986	3.5
107.08527	1.5
109.10134	1.5
119.08553	1.0
122.09734	0.9
124.77920	0.8
124.99956	6.6
131.08549	1.1
133.10071	1.2
138.36327	0.9
146.98158	18.9
163.01602	1.7
184.07303	12.9
185.07692	1.5
316.31656	0.9
333.20685	1.3
521.99139	1.0
651.45862	80.3
652.46350	6.2
709.40894	0.9
775.45038	100.0
776.45551	9.3
834.52332	47.5
835.52875	8.3
856.63586	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5236
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08097	9.9
64.37963	0.6
67.05417	3.8
69.06991	1.0
70.06500	0.7
71.07291	9.1
71.08546	3.3
72.07643	0.6
75.16777	0.6
79.05407	3.0
81.06958	3.0
82.82078	0.6
86.09629	65.8
87.09971	4.1
89.05923	4.5
91.05402	1.3
93.06957	1.6
95.08508	1.4
98.98380	3.2
104.10674	4.7
105.06961	1.1
107.08539	0.9
109.10120	0.7
124.99962	38.7
128.34924	0.7
133.08502	1.3
140.79341	0.6
146.98148	5.0
177.10954	0.7
184.07314	100.0
184.94510	0.8
185.07619	6.5
186.07700	0.8
245.16263	0.7
608.77472	0.7
650.44379	5.8
651.45703	22.3
652.45209	1.6
716.48071	1.2
774.43201	4.1
775.44818	19.6
776.44373	1.1
798.54492	2.7
815.55170	0.9
816.56061	1.6
833.51892	0.8
834.52087	14.2
835.54089	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5842
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06528	0.3
60.08092	9.8
67.05415	1.2
69.06987	0.3
71.07288	6.7
79.05421	1.2
81.06956	0.6
86.09624	53.4
87.09965	1.4
91.05385	0.5
93.06959	0.6
95.08511	1.2
98.98382	3.7
104.10675	3.5
107.08506	0.3
114.38206	0.4
116.79655	0.3
124.99958	34.9
126.00299	0.4
143.01009	1.1
146.98145	1.5
164.00917	0.3
165.02823	0.3
184.07298	100.0
185.07677	2.2
186.07729	0.3
278.77414	0.3
651.45923	5.4
652.45721	0.5
676.45538	3.2
716.48505	2.3
775.45178	7.0
776.44531	1.4
780.54431	0.4
798.56219	2.5
816.56549	3.2
834.57104	5.3
835.54559	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08312	0.7
67.05435	7.1
68.23393	1.0
69.06997	0.9
71.07291	15.9
78.37269	0.8
79.05404	1.9
81.06991	5.5
86.09628	78.9
91.05419	1.4
93.06954	1.8
95.08561	4.4
107.08565	1.6
109.10113	1.4
109.99977	0.8
123.11694	1.2
123.99272	0.9
135.11729	1.0
146.98204	1.8
162.95538	19.2
162.96782	1.1
184.07361	4.8
621.36359	1.1
622.55420	1.0
653.45294	26.8
654.45428	3.8
769.97388	1.1
777.44531	100.0
778.44702	12.1
836.51886	60.5
837.52112	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	836.519
Annotation	Unknow
Peak:m/z	Relative Intensity
62.68385	5.8
67.05417	9.1
68.68227	4.7
71.07286	6.9
76.73884	4.4
79.05405	6.1
81.06994	7.9
82.25552	5.0
86.09626	80.2
100.59408	5.1
160.43239	5.2
162.95546	8.3
184.07298	9.8
231.81721	5.1
287.16904	5.1
653.45001	36.5
777.44336	100.0
778.43854	10.0
836.51563	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	836.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08085	0.6
61.48212	0.7
64.33894	0.8
67.05425	16.6
69.06979	5.2
71.07287	20.9
71.08558	1.2
78.16176	0.7
79.05409	11.1
81.06970	17.2
82.07298	0.9
83.04901	0.8
83.08551	3.4
86.09624	87.5
87.09947	1.9
91.05412	7.5
93.06971	7.6
95.04874	1.3
95.08536	10.6
97.10108	4.0
105.06999	3.7
107.08502	2.6
109.10080	1.7
119.08569	1.7
121.10143	0.8
124.99935	7.1
125.09622	1.4
146.98164	22.2
160.09447	0.9
163.01572	1.0
184.07297	11.8
185.07629	0.9
194.47009	0.8
297.61310	0.9
305.20935	3.0
317.20761	1.5
335.22131	3.2
375.24893	1.0
375.96774	0.8
651.45563	1.7
652.46222	10.7
653.47266	93.3
654.47412	9.4
776.45349	7.8
777.46521	100.0
778.46936	9.6
835.52716	3.9
836.53815	60.5
837.54315	5.9
839.88727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5401
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08083	1.1
67.05426	25.3
69.06978	6.6
71.07294	22.9
71.08542	4.5
77.23310	1.1
79.05402	10.0
81.06976	20.6
81.30153	1.1
83.08558	4.8
86.09626	97.8
87.09988	1.2
89.77867	1.0
90.84091	1.0
91.05410	8.4
93.06963	8.5
94.05151	1.1
94.38246	1.0
95.04910	2.1
95.08536	11.8
96.66948	1.2
97.10121	2.6
99.08028	1.3
105.06985	5.5
107.08536	2.1
109.10111	5.5
114.60952	1.3
119.08569	1.9
121.10099	1.7
124.99981	5.3
146.98154	40.8
146.99226	2.0
184.07286	11.9
278.14883	1.2
375.25232	2.7
492.41785	1.2
543.54437	1.5
619.67474	1.1
653.47400	100.0
654.47827	7.3
729.55615	1.4
777.46594	94.4
778.46667	11.1
836.53943	83.0
837.54572	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	836.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08089	4.5
60.13325	0.8
60.37428	0.8
64.33302	1.0
67.05429	15.6
69.06992	4.9
70.06496	1.1
71.07291	19.2
71.08536	1.2
79.05405	9.3
81.06982	12.1
83.08539	1.8
86.09626	100.0
87.09965	4.3
90.53839	0.9
91.05392	4.2
92.10854	1.3
93.06971	5.0
95.04898	1.0
95.08543	9.3
97.10109	1.5
98.98395	1.8
104.10684	1.8
105.06982	3.6
107.08556	4.2
109.10107	1.1
119.08553	1.1
121.10127	1.3
124.99944	16.8
139.11166	1.0
146.98160	15.8
157.43782	0.9
162.95525	2.1
184.05695	2.2
184.07303	50.5
313.70828	0.8
327.75961	0.9
375.24893	1.4
467.40012	1.1
496.51694	0.9
652.45892	7.4
653.47327	87.0
654.47607	6.0
678.46838	1.5
775.43158	1.2
776.44135	12.4
777.46246	83.4
778.46454	8.4
835.51172	8.0
836.53357	48.5
837.53442	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	836.5997
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06530	0.4
60.08094	10.0
67.05424	3.2
69.06977	0.7
71.07291	6.7
71.08559	0.3
79.05411	1.7
80.01414	0.3
81.06976	2.4
83.08527	0.4
86.09624	62.3
87.09964	1.3
91.05414	0.6
92.10356	0.3
93.06953	1.5
94.07355	0.3
95.04906	0.3
95.08526	1.8
98.98385	4.2
104.10664	3.5
105.07006	0.6
107.66058	0.3
124.99960	37.3
129.67953	0.3
143.01006	1.2
146.98154	2.8
149.80475	0.3
184.07298	100.0
185.07628	1.5
206.62680	0.3
249.79153	0.3
410.67221	0.3
614.97681	0.3
653.47284	7.8
654.47180	1.4
678.47278	2.9
718.49609	2.0
777.46503	12.2
778.45972	0.7
782.56030	0.7
800.56915	1.8
818.58875	3.4
836.54956	6.3
837.54968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91129	2.3
67.05434	14.0
69.06973	4.9
71.07292	20.1
71.08543	4.3
79.05420	15.5
81.06985	22.6
86.09631	100.0
92.10289	5.4
93.06985	11.2
95.08562	14.0
105.06966	3.6
124.99971	14.5
146.98174	33.2
184.07358	27.9
261.57269	2.9
319.74634	3.3
403.79407	3.1
434.50299	3.5
435.32272	2.8
521.46857	2.9
536.92493	2.9
654.47180	5.6
655.49048	88.2
656.48468	6.5
778.45770	6.0
779.48083	95.6
780.48169	13.0
838.55463	72.6
839.54614	13.4
864.30682	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	838.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08083	3.5
67.05419	11.8
67.29987	0.7
69.06987	7.2
70.06503	0.8
71.07286	19.7
71.08547	4.9
72.07639	1.0
79.05392	8.3
81.06969	11.6
83.04911	1.2
83.08547	4.5
86.09624	100.0
87.09458	0.9
87.09922	5.8
91.05426	3.3
92.05763	0.8
93.06015	0.9
93.06982	4.8
94.20354	0.8
95.08533	7.8
97.10100	5.8
98.98422	1.7
104.10678	1.4
105.06992	1.5
107.08550	4.1
109.10122	3.1
119.08539	1.5
124.99969	17.1
125.09593	1.5
134.39009	0.9
146.98167	21.2
146.99251	1.2
149.13240	1.1
163.01472	1.1
184.07304	44.2
185.07703	4.3
187.01201	0.8
195.60165	0.7
205.39171	1.1
227.33083	0.9
275.02063	0.7
305.20810	1.7
317.20740	1.1
335.21976	1.6
653.47198	3.2
654.47717	20.3
655.48767	84.2
656.49078	9.1
766.52356	1.0
778.46863	19.8
779.47955	98.3
780.48511	10.2
802.61499	0.9
837.53839	11.4
838.55273	65.5
839.56238	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08094	7.7
63.69614	0.7
67.05410	3.6
67.47004	0.8
69.06985	4.3
70.43587	0.9
71.07279	5.5
71.08524	0.8
81.06970	3.4
83.08524	5.0
86.09627	34.5
93.06976	1.0
95.08527	4.9
97.10094	1.7
98.98392	0.9
101.29882	0.7
104.10678	100.0
105.11025	1.1
107.08540	1.1
109.10107	1.6
111.11630	1.1
124.99944	6.0
146.98166	19.7
151.20729	0.8
184.07297	18.6
261.90283	1.0
265.84958	1.0
339.28894	10.7
441.23380	1.4
485.26306	38.1
486.26648	1.4
522.35431	1.0
544.33636	64.7
545.33521	4.0
609.95142	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05429	10.5
69.03368	1.4
69.06955	1.7
71.07285	2.1
71.08545	2.6
79.05405	3.5
80.36383	1.6
81.06979	6.5
83.08534	2.0
83.68021	1.4
86.09623	21.8
87.09958	1.7
87.98669	1.4
93.06978	2.5
95.08548	7.5
107.08517	2.7
124.99993	2.1
146.98203	6.2
184.07344	8.2
184.21544	1.8
219.72687	1.7
304.76126	1.8
333.20364	2.6
350.22012	1.6
351.21249	2.9
512.27527	1.8
655.48553	11.0
656.48987	10.3
682.27911	1.7
779.47229	10.6
780.48413	13.1
821.49835	14.1
838.54736	8.7
839.51184	100.0
840.50134	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	840.5719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63678	1.4
60.08091	2.0
67.05437	26.4
69.06988	9.7
69.99105	2.2
71.06989	1.7
71.07295	25.5
71.08558	3.5
79.05410	8.7
81.06990	22.0
83.08533	6.4
86.09636	100.0
87.09953	2.9
89.45338	1.7
91.05399	3.9
93.06993	4.0
95.08543	16.2
97.06439	2.6
105.07011	2.3
107.08526	3.4
109.10109	4.0
121.10117	3.3
124.99979	15.7
131.07005	2.1
133.10106	2.7
146.98161	36.3
159.24712	1.8
184.07317	32.1
222.66324	2.0
244.21071	1.7
472.77002	2.0
656.49786	17.8
657.50464	99.6
658.50934	6.0
780.47253	10.9
781.49652	86.5
782.49121	8.8
794.96741	2.1
839.56189	13.5
840.56909	84.8
841.56909	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	841.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67648	0.8
61.02858	6.2
67.01785	0.9
67.05422	10.6
68.92395	0.7
69.03351	15.9
69.07005	7.9
70.06148	1.1
70.06512	32.7
71.01263	2.1
71.04901	1.4
71.06812	0.9
72.08057	5.1
73.02830	14.2
74.05987	1.0
79.05396	7.7
81.03339	38.9
81.06980	20.3
82.03679	1.3
83.04891	1.5
83.06024	1.1
83.08531	3.2
84.04421	3.7
84.08052	4.2
84.95953	1.6
85.02825	17.9
86.09631	7.2
91.03865	1.6
91.05400	8.5
92.10909	1.1
93.06966	18.8
95.01256	17.1
95.04890	1.7
95.08533	35.1
97.02826	29.4
97.06478	1.5
97.10101	1.1
98.97527	5.4
99.00753	1.2
99.04372	4.3
99.08018	0.9
102.05468	1.0
103.03915	1.4
103.05396	0.8
105.06979	23.2
107.08542	28.6
109.02833	100.0
109.06537	2.6
109.10110	24.6
110.03145	4.2
110.07130	8.4
111.08065	6.5
113.02262	1.6
115.03856	5.1
116.98589	8.3
117.06952	3.6
119.07677	1.1
119.08543	32.2
120.08052	5.7
120.08850	1.0
121.06433	1.4
121.09309	1.4
121.10104	19.7
123.07993	3.2
123.11680	6.8
125.09607	1.3
127.03872	22.1
128.98541	1.5
129.06946	1.1
129.10213	1.5
131.00114	1.0
131.03380	1.4
131.08545	9.0
133.04959	1.1
133.10109	26.2
134.10516	1.0
134.99635	8.3
135.08075	1.4
135.11665	14.2
137.09613	1.2
139.03880	3.9
141.01810	30.5
141.02919	1.0
141.06561	1.2
143.08557	6.7
145.10110	21.2
146.99628	3.9
147.11667	17.3
148.06325	0.9
149.01285	0.9
149.09544	1.3
149.13216	10.1
151.11140	1.6
156.09285	1.0
157.10095	11.7
158.10886	0.9
158.99649	1.6
159.02838	1.9
159.11674	21.1
159.12875	1.7
161.13216	10.9
163.14799	5.8
169.04926	8.9
169.10143	1.0
170.99706	1.5
171.11681	7.0
173.01167	1.0
173.13182	11.0
175.11142	1.5
175.14778	8.7
177.00711	8.6
177.12791	1.1
177.16379	5.8
183.11670	3.5
184.07292	1.1
185.01210	1.3
185.13223	5.7
187.05971	0.9
187.14734	7.9
188.03305	3.5
189.00644	4.4
189.16371	10.9
191.17886	1.2
195.01630	1.2
195.11653	1.4
197.13205	3.8
199.14767	5.4
199.54181	0.9
201.00713	2.0
201.16365	8.7
203.02095	1.0
203.14366	1.2
203.17943	4.8
205.15843	1.8
207.17421	1.8
211.14690	1.8
213.00691	1.5
213.16356	4.6
215.17876	5.1
217.15903	1.4
217.19408	1.2
219.01811	1.4
219.17381	4.4
221.18869	1.0
225.16359	1.7
227.18013	1.6
229.07040	5.9
231.01625	1.0
231.17413	3.8
243.01721	1.5
243.17253	1.1
245.03136	1.2
253.19499	1.5
261.02719	4.8
267.20819	1.1
279.03778	1.1
294.22974	0.9
303.03760	1.1
339.26852	1.1
353.28485	1.1
377.03647	0.9
379.29846	2.1
407.33163	1.0
419.32941	8.2
437.34039	13.1
455.35135	1.5
458.22141	5.1
458.72653	1.2
467.22571	1.6
467.35095	7.1
467.72891	1.3
479.34799	10.9
497.36191	22.4
498.36325	1.5
515.37311	8.2
655.38641	1.1
671.53802	1.0
738.77338	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5873
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08089	5.0
61.95438	0.7
67.05424	10.3
69.06983	20.2
70.06541	1.1
71.07298	9.7
71.08543	2.3
72.08060	0.8
79.05395	5.6
81.06977	10.0
83.08540	11.8
86.09624	63.4
89.26365	0.9
93.06979	7.3
95.08531	15.3
97.06466	1.7
97.10088	5.7
98.98386	1.3
104.10690	9.1
107.08552	3.9
109.10086	5.8
111.07949	1.0
116.99406	1.0
121.10103	6.6
123.11649	1.1
124.99966	14.7
135.11684	3.8
146.98155	60.3
149.13185	1.4
164.99121	1.3
184.07286	41.7
263.97845	1.0
339.28860	31.3
340.29312	1.2
485.26199	28.6
544.33594	100.0
545.33337	5.4
749.22205	1.1
812.43219	1.0
824.51569	1.0
842.49677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08093	8.8
64.33605	0.3
69.06977	0.5
70.05069	0.3
70.06490	1.5
71.07288	4.6
72.08076	0.5
81.06960	0.4
84.08066	1.3
86.09626	43.6
87.09939	1.5
95.08511	0.5
98.98409	3.8
104.10678	4.2
120.08092	0.7
120.08958	0.3
124.99962	31.6
126.00309	0.3
129.10121	0.4
143.01041	0.3
146.98203	0.4
147.89969	0.4
184.07301	100.0
185.07648	1.9
234.19048	0.3
321.75092	0.4
502.32822	0.6
520.33905	9.1
548.49908	0.4
776.50745	0.3
808.50995	0.5
826.51227	2.2
827.50940	0.4
844.52252	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04937	0.6
60.04459	2.9
61.02858	0.8
64.40013	0.5
67.05432	6.4
69.03355	9.8
69.06991	1.2
70.06512	36.8
71.04907	13.6
72.08076	9.8
73.02840	1.6
74.05987	1.3
79.05399	9.3
80.59016	0.6
81.03353	3.1
81.06982	5.6
82.06480	0.8
83.04904	3.9
83.06033	0.9
84.04433	16.1
84.08079	20.9
85.02830	13.5
85.06481	1.6
86.09633	9.5
87.00747	1.0
88.03922	1.0
91.05400	11.7
93.06985	6.2
95.04905	6.2
95.08538	26.3
97.02827	100.0
97.06474	0.7
98.03178	1.6
99.04391	9.0
100.03816	0.6
102.05494	6.3
103.05378	1.3
105.01759	0.8
105.06989	21.8
107.04900	15.8
107.08536	8.6
109.02837	4.7
109.06472	3.4
109.10117	5.5
110.07121	8.8
111.04340	2.1
113.05972	3.7
114.05431	0.8
115.03870	2.9
115.08652	3.8
117.06953	4.3
119.08540	30.4
120.08058	4.7
120.08872	0.8
121.06439	4.7
121.10108	3.0
123.08038	7.5
123.11721	0.7
125.05981	1.3
127.03891	5.2
128.06209	4.9
129.05498	0.9
129.06898	3.1
129.10201	9.4
130.06522	4.1
130.07649	0.8
131.08511	1.7
132.08087	3.1
133.06476	4.1
133.10098	33.5
134.10460	0.7
134.99661	1.2
135.08008	3.2
135.11687	3.7
136.07574	3.5
136.08603	0.8
137.05988	1.2
137.09593	10.4
137.50948	0.8
140.07088	0.8
141.01794	1.6
142.07710	0.8
143.08569	13.9
145.06459	3.8
145.10118	4.6
146.07237	6.6
146.99615	1.3
147.08035	26.5
147.11684	3.4
149.05951	0.6
149.09605	12.4
155.08305	0.7
157.04921	1.1
157.10071	1.3
159.07980	4.0
159.09190	5.5
159.11668	1.0
160.80008	0.7
161.01265	1.1
161.05949	1.3
161.09592	80.6
161.13206	2.9
162.09981	1.0
163.07458	1.1
163.11140	1.0
165.09081	9.6
170.06046	1.2
171.08003	4.1
171.11565	2.8
173.09662	1.5
174.06795	1.3
174.10330	1.0
177.00688	0.8
179.10641	7.7
183.11603	1.5
187.05951	0.8
189.09070	12.2
189.12714	5.0
190.07356	0.7
193.10175	1.1
195.11295	0.9
197.09662	0.8
199.10950	1.3
201.09042	0.8
201.12608	1.4
207.10170	18.4
207.13756	22.9
215.10634	1.5
219.01714	0.8
225.11241	2.6
225.14806	2.8
229.12166	3.4
239.10632	0.9
243.10193	0.8
245.07715	0.9
257.11700	5.9
267.10098	0.9
268.80008	0.8
275.12711	5.3
285.11142	3.8
298.57086	0.7
303.12231	8.9
311.11234	3.4
321.13309	4.3
326.89322	0.8
329.12250	32.4
389.12161	1.5
407.13348	7.9
425.14438	7.1
443.15460	18.0
616.25677	2.7
616.76184	1.0
658.19116	0.8
828.48267	0.9
836.86084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08091	0.7
61.02851	1.4
65.03852	0.2
67.05416	0.1
69.03348	7.9
70.06522	0.3
71.04903	0.8
71.07280	0.2
72.08060	0.1
73.02816	0.3
77.56783	0.1
79.05401	0.8
79.12903	0.1
80.59766	0.1
81.03334	1.5
83.04891	3.0
84.04459	0.1
84.08057	0.1
85.02823	2.7
86.09623	3.2
87.04391	0.8
88.13696	0.1
89.73820	0.1
90.97394	0.1
91.03878	0.5
91.05405	5.5
92.05771	0.1
93.06966	0.2
98.98375	0.2
99.04361	1.1
103.03880	0.3
103.05376	0.3
104.06170	0.2
104.10707	0.2
105.06968	2.0
107.08532	25.5
108.08839	0.6
109.06469	1.0
111.04391	2.9
113.84171	0.1
117.06969	1.3
117.62547	0.1
117.66566	0.1
119.08533	100.0
120.08079	0.2
120.08859	2.8
123.07992	0.1
124.99943	2.3
129.05424	2.4
133.06476	2.0
133.09999	0.1
135.08014	26.7
136.08362	0.7
143.61879	0.1
147.06485	1.2
184.07288	6.9
184.08919	0.3
185.07648	0.1
281.13794	3.3
295.11765	0.5
397.19614	0.2
415.21048	13.1
416.21399	1.1
427.96747	0.1
736.71545	0.1
761.53784	0.2
828.53491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40786	0.4
60.08089	7.1
63.09024	0.4
63.29617	0.3
70.34483	0.4
71.07275	4.1
71.82123	0.4
86.09624	50.6
87.09975	0.6
89.00890	0.4
95.08572	0.5
97.99368	0.4
98.98393	3.7
104.10668	10.7
121.08890	0.4
124.99958	31.8
137.97231	0.4
143.01030	0.6
184.07300	100.0
185.07640	2.8
192.21135	0.5
224.24876	0.4
313.27704	0.4
353.43561	0.5
507.05789	0.4
642.63745	0.5
662.31311	0.5
696.14221	0.5
714.47205	0.5
746.45416	0.7
828.52985	2.6
846.54492	5.5
847.55182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08093	8.8
64.33066	0.2
70.06506	0.2
71.07286	4.6
81.06937	0.3
86.09623	49.6
87.09946	0.7
98.98387	4.4
104.10680	4.3
124.99957	33.3
143.01006	1.2
165.87027	0.2
184.07295	100.0
185.07681	1.9
348.56036	0.2
728.44641	0.3
746.45764	0.3
792.50769	0.3
810.53308	1.4
828.53540	3.1
829.53381	0.8
846.54712	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	846.5842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07293	0.2
60.08096	8.1
67.05419	1.1
71.07287	4.8
81.07050	0.2
85.30713	0.2
86.09628	46.1
87.09966	0.4
95.08539	0.4
98.98410	4.0
99.53441	0.3
104.10680	3.5
124.99965	32.0
143.01016	0.6
184.07306	100.0
185.07637	1.8
251.19464	0.3
252.39790	0.3
290.80936	0.3
494.35013	0.3
509.96167	0.3
549.11859	0.2
674.43512	2.0
728.48682	1.1
778.53296	0.3
785.66675	0.3
794.82831	0.3
796.54346	1.6
814.55078	0.6
828.56812	0.3
846.58588	4.1
847.58368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.5849
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08093	9.3
67.05419	0.8
71.07289	5.4
71.35435	0.3
73.55550	0.3
74.17255	0.3
81.06940	0.4
86.09625	49.0
87.09964	0.5
95.08512	0.5
97.34023	0.3
98.98400	4.6
104.10683	3.6
120.81017	0.3
122.03506	0.3
124.99962	36.8
143.01009	0.6
145.36859	0.4
148.46571	0.4
184.07304	100.0
185.07607	2.1
214.40962	0.4
641.27808	0.4
674.43823	3.3
728.47626	1.9
754.85156	0.4
796.53741	1.9
846.58087	6.2
847.57111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.585
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07827	0.5
60.08098	9.8
67.05434	0.7
71.07291	4.9
79.05426	0.3
80.29037	0.3
81.06967	0.7
85.16116	0.4
86.09631	45.5
87.09951	0.7
98.98400	4.6
104.10671	3.2
109.10093	0.4
124.99969	36.0
143.01062	0.5
146.98146	0.4
164.38652	0.4
165.67046	0.3
184.07315	100.0
185.07620	1.4
476.81812	0.3
674.43677	2.5
728.47833	1.8
778.52856	0.5
796.54132	1.7
814.54370	0.5
846.58527	4.9
847.58386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20599	3.0
67.05424	33.3
67.33796	3.4
69.06987	61.9
70.58975	2.8
71.04887	3.1
71.08555	28.0
72.65971	3.2
79.05389	14.3
81.06979	48.1
83.08535	53.9
85.10096	15.4
86.09624	23.6
87.00748	22.0
93.06955	22.1
95.08534	51.3
97.06436	6.8
97.10111	38.4
105.01777	4.8
107.08514	17.6
109.10092	25.6
111.08057	3.9
111.11671	8.7
121.10079	27.6
123.11629	8.6
124.99986	5.3
125.09516	5.7
135.11612	16.4
136.11093	3.7
139.51733	3.4
142.46242	3.6
144.01511	3.5
149.13251	8.1
153.12730	4.9
159.66109	3.2
163.14729	5.8
167.51109	5.1
177.16325	4.0
180.55890	3.8
184.07268	39.6
186.42395	3.5
247.24146	26.6
265.25204	42.2
278.22000	4.1
283.26199	21.1
351.25327	5.5
369.26181	35.8
387.27481	5.4
425.28720	22.2
443.29919	100.0
444.30057	4.6
737.79419	3.9
811.55359	54.8
812.54736	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	846.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54049	3.8
67.05422	31.8
69.06987	51.6
71.08540	19.9
79.05398	10.8
81.06961	42.4
83.08550	39.6
83.20958	5.0
84.64880	4.6
85.06522	5.2
85.10085	6.4
86.09641	9.1
87.00761	22.9
93.06978	17.7
95.08519	37.3
97.06505	4.7
97.10107	31.7
107.08551	10.4
109.10104	26.6
121.10104	21.4
123.11624	9.7
125.09580	7.1
135.11638	10.4
138.70921	4.5
149.13226	9.1
163.14719	7.9
173.47780	5.0
184.07346	22.7
223.80438	5.6
247.24155	11.2
265.25168	36.4
281.95761	4.5
283.26080	10.9
369.26154	26.3
425.28943	17.5
443.30066	100.0
657.42236	5.5
811.54700	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04895	0.8
60.02990	0.6
60.04452	1.1
61.01065	1.4
61.02842	1.0
65.03865	0.7
67.05429	14.9
69.03342	14.3
69.06992	6.7
70.06149	0.9
70.06510	18.3
71.04887	3.6
71.06851	0.7
72.08060	3.2
79.05413	14.7
80.47468	0.7
81.03326	1.5
81.06976	23.7
83.04907	14.7
83.08540	8.3
84.04433	11.0
84.08067	15.6
85.02827	4.3
85.06454	3.6
86.09632	4.8
87.00746	1.4
87.04392	3.4
91.05412	14.6
93.06971	10.9
95.04893	16.8
95.08530	9.2
97.02824	100.0
97.06446	7.2
98.03136	1.1
98.05965	0.9
99.04394	7.0
101.07069	1.0
102.05462	2.7
104.05258	2.8
105.06974	22.2
107.04904	20.1
107.07877	1.2
107.08542	21.1
108.05204	0.6
109.02789	3.3
109.06466	15.1
109.10107	58.2
110.07118	5.6
110.10423	1.0
111.04387	6.2
111.08045	1.0
112.16467	0.5
113.05940	1.6
115.03833	1.0
117.06940	4.1
119.04867	2.6
119.07764	0.9
119.08533	14.1
120.76149	0.6
120.86682	0.7
121.06425	3.5
121.10110	12.5
123.04387	2.4
123.08026	6.5
123.11654	7.0
125.05962	4.6
125.09585	3.5
127.03876	1.6
128.06158	3.2
129.06920	3.7
129.10201	8.8
130.04916	3.2
130.06493	1.2
130.10576	0.8
131.08540	9.8
132.08058	0.7
133.06451	2.6
133.10104	40.6
134.10400	1.0
135.08023	9.8
135.11612	0.8
136.07529	6.3
137.05956	2.9
137.09590	41.9
138.09897	1.3
139.03827	0.9
139.11113	0.9
143.08562	13.3
145.06482	1.2
145.10107	8.9
146.07260	3.0
147.08031	15.2
147.11627	1.4
148.08566	0.6
149.05898	1.1
149.09608	1.1
149.13251	5.6
151.07489	2.7
151.11143	8.1
153.09076	3.9
155.08376	0.8
157.10133	0.7
158.10876	3.0
159.06494	0.9
159.07988	1.5
159.09174	3.9
159.11639	1.0
161.05916	1.3
161.09586	70.9
162.09874	1.0
163.07472	1.6
163.11131	1.4
163.14821	1.2
165.09085	38.9
165.12729	5.6
166.09373	1.0
167.14291	9.7
167.98056	0.7
169.09988	1.0
171.07921	1.5
173.09634	1.3
173.13237	13.4
174.06755	1.6
175.07492	1.6
179.10646	7.9
183.11490	0.7
187.07283	0.9
187.11153	1.5
188.08273	1.1
189.09064	8.0
191.14317	9.8
193.10118	0.8
197.09682	1.0
197.11566	0.8
201.08871	1.0
205.12183	2.9
206.88371	0.7
207.10143	25.1
209.15340	42.2
210.15710	0.8
211.11082	1.2
215.10599	3.3
225.11166	11.4
227.16214	0.8
229.12148	1.4
233.11633	1.3
239.10696	1.0
257.11609	4.6
261.11176	1.2
275.12701	8.8
285.11154	1.5
293.13623	1.2
300.27499	0.6
302.73831	0.7
303.12238	7.0
316.33472	0.7
321.13211	8.1
326.52988	0.8
327.06961	0.8
329.12466	1.3
339.14304	3.3
345.07840	2.6
357.15402	7.7
439.09470	0.8
443.14960	1.1
458.23590	0.7
473.16165	2.5
570.12299	0.7
587.19568	1.6
605.20673	12.2
624.55878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02845	4.4
62.35576	0.7
65.03837	1.0
67.05125	1.0
67.05429	17.5
68.99699	3.0
69.03349	29.1
69.06992	11.0
70.06505	15.0
71.01250	1.4
71.04905	11.3
72.08085	1.6
73.02827	3.1
74.05978	1.8
79.05407	60.9
81.03338	29.2
81.06977	21.6
83.01207	0.8
83.04897	20.3
83.08523	1.9
84.04434	9.1
84.08067	15.1
85.02822	47.1
85.05987	1.5
85.06464	28.6
86.09618	5.1
87.00758	15.1
87.04363	0.9
91.05402	30.1
93.06969	74.0
95.04888	9.3
95.08536	10.1
97.02818	26.3
97.06461	10.2
99.04378	8.2
101.02341	1.2
102.05468	1.9
103.03868	1.8
103.05389	1.2
104.05258	0.9
105.01810	9.4
105.06981	22.1
107.04900	25.5
107.08537	48.9
108.04479	0.9
108.08868	1.6
109.02825	24.6
109.06470	10.1
109.10076	1.3
110.07089	5.2
110.10377	0.8
111.04410	8.1
111.08031	1.7
113.91195	0.7
117.06958	11.2
119.04839	1.0
119.07758	1.2
119.08540	18.1
120.08112	0.9
121.06441	13.1
121.10090	16.0
123.04369	1.9
123.08018	4.7
125.05942	19.3
127.03867	32.8
128.04128	0.8
129.01767	1.3
129.07001	6.8
129.10173	6.5
130.06509	1.1
131.08531	38.9
133.06479	6.9
133.10086	36.3
135.08035	10.1
135.11658	100.0
136.07535	5.2
136.11989	3.3
137.05952	1.7
137.09578	1.9
139.07500	8.5
143.08476	3.6
145.04930	7.2
145.06354	1.5
145.10114	13.2
147.02881	0.9
147.08057	7.8
147.11676	12.4
149.05991	1.8
149.09610	22.6
149.13231	41.0
150.13589	1.1
151.07521	4.6
151.11168	1.6
153.05409	1.2
153.09088	3.2
153.12692	3.1
155.06999	1.0
155.08417	1.6
157.10097	3.5
159.02859	3.3
159.07948	1.2
159.09157	0.9
159.11655	15.1
161.09593	3.7
161.13274	1.2
163.07475	3.5
163.11108	8.6
165.09042	5.4
167.07034	1.3
167.10608	8.0
169.10013	1.8
171.07866	0.9
171.11589	1.5
173.09572	4.3
173.13213	4.4
175.11133	16.0
177.12703	63.6
178.13051	1.4
183.11606	3.1
185.13100	1.0
187.11153	1.4
187.14780	0.8
189.12694	3.1
191.10625	21.7
193.12166	3.6
195.13765	44.8
196.14034	1.2
197.13203	1.5
199.11142	2.7
201.12700	3.3
205.12167	1.3
207.13641	1.2
209.11682	23.4
213.03914	4.4
213.12657	1.6
215.14307	1.5
219.13715	3.0
223.11118	1.0
225.12654	3.5
227.12733	64.3
228.13069	1.5
231.04865	7.9
233.15321	0.9
237.15126	0.9
239.14214	1.3
243.13744	3.4
249.06026	1.5
257.15341	1.2
261.14755	4.1
267.13739	1.8
275.16226	1.1
285.14798	7.2
303.15869	12.8
317.13940	1.1
321.16940	13.5
335.14752	1.4
339.17960	30.8
340.18372	1.4
346.24643	0.9
357.18875	4.3
389.15842	0.9
407.16974	1.9
416.08688	0.9
425.17902	6.6
533.19653	1.8
551.21216	5.5
565.29663	5.2
569.21887	4.1
587.23254	8.5
617.45422	1.0
775.35376	1.2
814.13202	0.9
826.72150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37831	0.3
60.08095	9.5
60.29317	0.4
67.05421	2.0
70.09483	0.3
71.07295	5.3
80.10797	0.4
81.06990	0.7
84.74655	0.4
86.09627	54.8
87.09958	0.9
93.06963	0.8
97.01008	0.4
98.98406	4.8
104.10678	6.5
109.10079	1.5
124.99962	37.4
129.94931	0.4
130.35144	0.4
143.01024	0.8
184.07303	100.0
185.07645	3.3
186.07805	0.5
348.81787	0.4
665.42560	0.6
789.41443	0.6
830.54675	0.8
848.48053	15.8
849.48663	2.7
884.19073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08094	9.4
61.20984	0.3
67.05419	0.6
67.13150	0.2
69.46496	0.3
70.06489	0.5
71.06943	0.3
71.07292	5.5
80.76093	0.3
81.06962	0.5
86.09624	51.1
87.09947	1.8
93.06960	0.5
98.98402	4.3
104.10686	4.9
105.06934	0.5
109.10117	0.4
124.99960	35.3
143.00996	0.7
184.07300	100.0
185.07704	3.5
186.07738	0.5
302.96231	0.3
450.90741	0.3
665.43109	0.6
697.34796	0.3
789.42694	0.5
830.53717	1.2
847.54529	0.4
848.47992	9.3
849.48193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08098	6.2
67.05424	17.2
69.06990	3.3
71.07291	15.8
71.08554	3.2
79.05404	6.3
81.06989	10.9
83.08537	3.0
86.09624	100.0
87.09949	4.9
87.38549	2.4
91.05404	10.3
93.06966	6.5
95.04903	2.8
95.08571	5.5
104.10675	2.6
105.06969	4.7
107.08551	3.4
109.10065	3.2
117.06948	3.3
119.08553	3.7
119.75206	2.4
124.99962	26.4
132.37486	2.8
133.10077	4.3
141.11681	3.2
146.49554	2.6
146.98210	3.6
157.10205	2.5
184.07289	77.5
185.07568	4.9
199.14632	2.4
339.19440	3.2
564.42657	3.3
579.40100	9.7
587.46649	4.5
588.46564	5.1
665.43353	54.1
789.42725	67.3
790.42645	4.2
847.53101	3.4
848.49829	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	848.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07791	0.4
60.08090	9.2
63.73679	0.3
66.52356	0.3
70.66207	0.3
71.07280	5.1
77.81747	0.3
86.09621	46.1
87.09940	1.4
98.98387	4.5
104.10677	4.1
124.99953	34.7
126.00266	0.4
132.43774	0.3
138.87112	0.4
143.01033	0.6
170.79202	0.4
184.07291	100.0
185.07684	3.9
191.00769	0.4
231.82941	0.4
257.85272	0.4
672.42041	3.9
673.42145	0.5
776.51270	0.5
794.52466	1.8
812.53864	3.0
830.54932	6.4
831.53583	0.6
848.55176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98975	1.3
69.06981	1.3
73.04667	10.2
76.55954	1.3
79.02082	2.7
79.05430	1.8
80.54324	1.1
81.00010	2.2
81.06956	2.1
91.05725	100.0
92.10292	4.7
93.03649	2.5
93.20663	1.1
95.01522	1.2
95.08512	1.6
109.06779	1.7
109.61980	1.1
114.07324	6.7
122.09605	2.1
125.04478	1.3
151.82245	1.2
166.60561	1.2
167.05498	17.7
169.03409	1.5
179.90817	1.3
184.07376	1.5
184.31270	1.3
223.06329	6.7
225.04283	30.1
227.02213	7.5
239.09369	1.5
252.65111	1.3
266.99765	8.7
268.97806	18.4
283.03073	11.4
285.00955	25.1
297.08130	2.7
299.06104	30.6
300.06256	1.5
303.01959	7.4
324.30453	1.4
324.98541	1.9
342.99588	2.9
355.06897	22.9
356.07248	1.3
359.02789	13.9
360.03180	1.3
371.10214	13.3
373.07959	3.0
429.08719	8.1
429.17258	1.5
472.91336	1.4
503.10855	1.3
573.48547	7.4
713.35461	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.5933
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08100	9.2
67.02154	0.8
67.05420	1.2
69.06966	1.5
71.07284	4.5
72.91380	0.9
74.22726	1.0
79.05432	0.8
81.06959	2.0
86.09626	59.1
91.05409	1.1
93.06977	2.1
95.08530	1.5
98.98412	3.6
100.69704	0.9
104.10658	2.1
107.00713	0.8
107.44613	0.9
109.10083	1.1
122.09600	1.8
124.99969	35.6
179.87573	0.8
184.07307	100.0
185.07718	1.4
218.66743	1.0
237.27885	0.9
328.30060	0.9
370.74878	0.9
466.96426	1.0
573.48651	6.8
574.49268	1.3
850.58936	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	851.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02268	0.2
70.06492	0.4
81.06967	0.4
84.08061	0.3
84.42664	0.2
86.09623	0.5
107.08604	0.2
109.78531	0.2
113.08736	0.2
115.44379	0.2
116.23483	0.2
154.56850	0.2
155.20598	0.3
177.96710	0.2
184.07245	0.4
193.94989	0.3
299.45090	0.3
303.11981	3.0
437.19241	100.0
438.19653	6.6
439.55630	0.2
771.62408	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	851.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68292	0.3
62.91724	0.3
63.00830	0.3
67.05400	0.4
69.26712	0.3
70.06514	0.4
70.35940	0.3
81.06960	0.5
86.09625	0.7
92.10271	0.4
92.63327	0.3
119.08504	0.3
124.99876	0.4
156.94139	0.3
169.04715	0.5
170.26630	0.3
184.07335	1.5
220.35683	0.3
259.09607	0.5
303.11984	5.1
314.27182	0.3
330.57346	0.4
383.08597	0.3
386.39890	0.3
437.19247	100.0
438.19540	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	851.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98774	1.1
70.33286	1.1
75.03341	1.2
80.06983	1.0
81.06939	1.4
84.08039	1.9
86.09632	9.1
87.46384	1.1
101.91367	1.2
104.10666	5.6
124.99941	8.1
149.02290	1.7
158.10382	1.1
184.07327	14.2
192.38043	1.2
303.11917	2.7
339.06964	1.5
341.02158	1.4
398.19553	1.1
437.19247	100.0
438.19427	6.1
573.47729	1.4
619.91840	1.4
802.73865	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.5486
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05417	8.2
69.06985	3.4
81.06966	6.2
86.09611	19.9
124.99972	13.4
169.55276	4.0
184.07336	41.5
215.87943	3.4
272.31772	3.5
337.40564	3.3
407.29193	3.5
473.51657	3.6
573.48474	7.6
574.48633	15.1
609.49902	4.0
738.76624	3.8
763.56445	27.8
807.55511	46.6
851.54669	100.0
852.53931	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	852.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62011	1.7
62.06543	1.6
63.57151	2.0
67.05431	20.1
69.06993	3.1
71.07288	19.8
71.08533	2.6
74.51306	1.8
79.05396	9.5
81.06977	14.5
83.08530	3.4
86.09629	76.1
91.05403	3.4
93.06964	8.3
95.08513	8.4
107.08523	2.5
109.10098	3.6
111.70616	2.4
113.61945	2.0
124.99970	3.0
157.64145	2.2
162.95554	4.8
175.28435	2.1
184.07260	9.8
190.05898	2.1
227.52365	2.3
669.45001	44.1
670.44733	3.7
793.44080	100.0
794.43903	11.8
852.51697	50.6
853.51746	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	852.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05425	19.6
69.06999	4.0
71.07289	21.8
71.08564	1.7
79.05405	8.7
79.61966	1.6
81.06967	13.7
83.08533	1.8
86.09630	87.8
87.09997	2.0
91.05406	8.4
93.06966	6.6
95.04845	2.5
95.08549	9.3
105.01749	1.7
105.07018	2.9
107.08494	2.3
109.10102	3.3
109.71823	1.9
109.89789	1.6
113.45561	1.6
119.08551	2.1
121.10078	2.1
124.99976	9.7
128.84412	2.1
136.73242	1.5
142.18300	1.8
146.98158	19.6
182.06184	1.6
184.07275	27.1
197.11789	1.8
209.84999	1.6
240.00517	1.7
332.25623	2.0
333.20166	1.8
370.45670	1.6
471.46313	1.7
530.47528	2.1
543.36438	3.3
575.49969	8.1
585.11475	1.9
668.45178	10.9
669.46796	74.8
670.47162	6.8
792.44647	15.6
793.45905	100.0
794.45099	9.0
851.51813	6.1
852.53278	77.6
853.52606	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	852.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03867	0.7
66.57109	0.4
67.05427	41.6
68.05766	0.9
69.06990	12.4
70.06524	0.6
71.04902	0.9
71.08546	17.7
72.08878	0.5
79.05412	12.7
81.06974	45.9
83.04916	0.6
83.08540	8.8
85.06465	0.7
85.10100	10.5
86.09636	0.6
91.05399	5.9
93.06973	12.7
94.07362	0.7
95.04898	1.2
95.08533	36.6
96.08866	2.0
96.18374	0.5
96.98959	0.5
97.06430	0.9
97.10105	4.4
98.98445	1.6
99.08000	0.6
102.40330	0.5
105.06949	3.6
107.08534	5.9
107.11337	0.6
109.10107	13.5
110.10468	0.6
119.08540	2.9
121.10077	4.9
122.36239	0.5
123.11661	4.6
133.10118	2.5
135.11664	2.2
137.13174	0.7
147.11670	0.9
161.13249	0.6
184.07350	0.7
239.23575	1.0
263.23709	0.6
313.27344	2.8
406.37631	0.6
433.76950	0.6
573.48553	2.9
574.48846	5.2
575.50183	100.0
576.50616	11.4
707.58954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5667
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08097	6.3
67.05434	6.3
69.06979	1.2
70.06509	0.6
71.07285	4.2
73.40143	0.2
79.05408	3.5
81.06973	5.4
83.08530	0.5
84.08098	0.3
86.09631	28.2
87.09959	0.4
91.05399	1.6
93.06975	3.5
95.04894	0.4
95.08540	4.3
101.72546	0.3
104.10683	100.0
105.06983	1.4
105.11005	2.2
107.08546	1.6
109.10108	1.2
119.08566	0.6
120.08118	0.3
121.10114	1.7
124.99988	0.6
131.08549	0.5
133.10121	0.6
133.77866	0.2
135.11623	0.4
146.98161	20.8
164.99225	0.4
176.99261	1.2
184.07314	2.6
216.49693	0.3
260.75125	0.3
285.24588	0.3
335.25665	4.4
357.24512	1.4
437.20602	1.6
481.23193	28.7
482.23401	2.5
540.30548	63.5
541.30743	7.2
685.48181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33321	0.5
65.03860	0.8
66.75240	0.6
67.05428	28.8
69.06997	7.1
70.06490	0.6
71.08551	8.5
79.05405	7.3
81.06977	27.8
83.08553	4.3
85.06482	0.6
85.10103	5.3
86.09629	1.1
91.05405	4.7
92.10191	1.1
93.06969	7.2
95.04906	1.1
95.08527	19.5
96.08884	0.7
97.06416	0.8
97.10096	3.1
105.07024	2.3
107.08569	3.4
109.10101	7.6
117.29348	0.6
119.08584	2.9
120.96616	3.1
121.10114	3.2
123.11674	0.8
127.86702	0.6
133.10103	1.0
135.11673	1.1
137.13280	0.8
174.98514	0.9
184.07307	1.0
185.04285	0.8
199.48293	0.6
203.05225	10.4
213.00058	0.9
265.00870	3.6
283.01837	100.0
284.02298	2.6
285.02423	0.9
324.04694	0.7
337.27164	0.8
389.99918	0.8
460.46371	0.6
471.89264	0.7
574.49768	0.8
575.50287	16.5
576.50812	1.0
597.48407	15.1
598.49451	1.0
615.49603	2.3
857.51239	36.7
858.51373	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03860	2.5
67.05431	49.4
69.06985	17.3
78.00922	2.9
79.05413	41.3
81.06979	62.2
83.08537	4.3
83.36167	2.9
86.09622	15.2
87.86076	2.2
89.37955	2.2
91.05431	21.4
93.06976	44.2
95.04868	5.1
95.08541	40.3
95.55961	2.4
97.06491	2.4
97.10097	4.9
98.98405	5.1
105.06989	21.5
107.08540	23.6
109.10114	5.4
117.06956	6.2
119.08540	23.1
121.10090	15.8
123.11633	2.9
124.99957	9.8
129.11581	2.8
131.08531	16.2
132.80820	2.4
133.10086	12.5
135.11720	5.3
140.94540	2.4
143.08517	4.8
145.10086	11.3
145.48056	3.0
147.11665	5.2
147.68172	2.5
149.13293	3.1
184.07344	22.4
199.14665	2.7
207.68536	2.9
232.96028	2.5
259.97031	2.5
317.24524	4.9
337.27097	4.4
439.71255	3.1
509.16891	2.8
597.48676	100.0
622.47516	3.1
658.80414	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	859.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05426	0.1
69.03329	0.2
70.06505	1.8
70.59151	0.1
71.04907	0.1
72.08060	0.4
73.07092	0.1
77.35546	0.1
81.03304	0.2
81.06968	0.3
83.06005	0.1
84.04414	0.3
84.08050	0.7
85.02834	0.5
86.09621	0.5
91.05393	0.9
93.06966	0.2
95.08516	0.4
97.02806	0.7
101.07091	0.1
109.02827	0.5
109.10069	0.2
110.07115	0.1
119.04887	0.2
120.08045	0.5
127.03889	0.5
128.06195	0.1
129.07027	0.1
129.10194	0.2
133.02821	0.2
137.02303	4.4
143.08488	0.3
145.02812	1.0
149.02309	0.2
153.06947	0.6
157.06476	0.6
171.07980	0.5
181.06406	1.2
195.62273	0.1
199.07504	8.2
203.09660	0.1
209.05818	0.2
211.07419	0.2
227.06975	3.8
227.09076	0.2
237.05382	1.4
255.06458	100.0
256.06812	3.1
280.12469	0.1
377.06036	0.1
489.18936	0.1
518.05444	0.1
593.23578	3.3
594.23688	0.2
602.25189	0.1
611.24719	3.6
612.24646	0.2
713.69989	0.1
868.47729	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	859.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02832	3.7
67.05420	10.0
69.06975	5.8
70.06514	14.5
73.11235	4.5
81.06969	16.4
84.08069	16.4
84.95963	20.7
86.09631	57.3
87.09932	3.8
93.06979	5.1
95.08514	20.9
98.97511	5.9
102.96974	5.4
105.06941	15.9
107.08540	15.4
109.10110	8.5
116.98565	21.1
119.08530	20.3
120.08058	8.6
121.10101	9.9
123.11625	5.9
124.99960	28.1
128.98514	4.4
131.00133	17.4
133.10092	7.3
134.99632	23.1
135.11734	4.9
146.99646	9.9
147.11664	9.0
149.01208	25.9
158.99544	15.6
159.11594	5.8
161.13222	8.2
162.99101	10.2
170.99628	18.2
173.01163	7.5
174.99097	9.0
175.02745	19.2
175.14789	9.1
177.00691	47.8
184.07327	78.0
187.14859	4.7
189.00722	5.7
189.16321	5.5
191.02119	4.6
195.01740	8.5
200.48581	4.5
201.00764	38.4
218.46848	4.0
219.01688	46.6
543.33466	5.6
557.34766	5.3
799.39032	16.4
817.40240	100.0
818.40308	6.2
835.40289	18.2
840.41888	6.4
859.41248	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	862.6452
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58579	4.8
64.32383	4.2
71.08539	48.8
72.65794	5.5
73.06457	13.0
81.06958	5.9
83.08499	6.2
85.10110	25.2
86.09625	24.1
87.04393	21.4
89.05946	100.0
98.98343	5.6
107.06981	5.1
117.09082	8.0
124.99931	7.1
133.08569	36.9
162.90556	5.4
168.83812	5.2
177.11128	12.8
184.07260	57.8
185.75928	4.8
216.36742	5.9
343.31650	5.5
862.64276	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	863.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02846	3.8
67.05416	11.3
69.03350	18.4
69.06978	12.3
71.01254	16.5
71.04908	47.7
73.02823	28.2
75.04395	10.6
78.90578	2.1
79.05408	3.2
81.06988	22.4
83.04906	18.8
85.02344	5.0
85.02827	100.0
86.09624	12.2
87.04404	3.1
90.15313	2.3
91.05404	4.9
93.06979	23.0
95.08527	55.5
97.02821	17.9
98.15066	2.6
101.02309	27.7
105.06978	17.9
107.08537	27.4
109.10103	31.0
111.04377	5.7
111.08018	3.4
115.03874	14.3
119.08533	29.9
121.10125	28.3
123.11637	14.5
124.99966	6.2
127.03893	47.1
129.05466	19.5
131.08513	5.4
133.10112	18.7
135.11623	19.8
139.03847	3.1
145.04991	19.9
145.10089	15.0
147.06487	3.7
147.11632	14.5
149.13246	9.8
159.11674	10.7
161.13240	15.3
163.14787	13.7
173.13167	9.2
175.14748	15.3
177.16341	6.1
184.07330	25.4
185.07764	3.2
187.14771	5.5
189.16359	11.3
191.17963	3.6
199.14830	4.2
201.16391	22.2
203.17854	16.3
215.17836	5.1
217.19456	9.9
225.07425	3.1
227.17949	2.8
229.19363	10.0
257.22433	2.6
295.24063	3.1
365.31961	4.9
405.35040	10.4
423.36133	97.4
424.36401	3.9
441.37015	6.2
464.78055	2.5
691.84003	2.8
717.56604	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	864.5597
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08096	8.2
67.85498	0.4
69.06979	0.5
70.06523	3.0
71.07297	5.6
72.08062	0.9
84.04411	0.5
84.08047	2.6
85.02802	0.4
86.09629	55.4
87.09938	0.5
98.98401	4.6
104.10693	4.5
109.10130	0.5
116.59563	0.4
120.08072	0.7
124.99967	35.8
129.10207	0.5
136.07539	0.5
184.07309	100.0
185.07658	2.2
198.49544	0.4
199.22980	0.4
234.30237	0.4
272.14462	0.4
333.56973	0.4
599.60895	0.5
688.41602	0.9
706.42365	1.6
728.44891	0.6
810.52039	0.6
828.53082	1.8
846.55951	4.1
864.54944	2.4
865.57062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08089	7.0
67.05426	22.2
69.06987	13.7
70.06479	1.4
70.15385	1.4
71.07296	10.4
72.08071	1.6
75.79889	1.1
79.05399	8.0
81.06977	21.6
83.08530	7.9
86.09627	90.2
87.09985	2.5
91.05408	6.1
93.06959	8.7
95.08542	19.3
95.98262	1.2
97.06415	1.6
97.10094	2.6
104.10699	10.5
105.06968	4.4
107.08519	2.1
108.46648	1.1
109.10105	6.4
114.36195	1.4
119.08527	2.5
121.10082	5.6
124.99963	29.2
133.10033	1.4
146.98161	62.0
147.11562	1.9
164.99222	2.8
177.16365	1.4
184.07289	100.0
185.07648	8.7
187.52089	1.5
258.67850	1.5
337.27310	24.8
483.24768	28.9
520.33765	13.4
521.33972	6.9
542.32062	97.0
543.32019	5.6
683.44366	2.4
807.43329	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	867.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06705	1.2
70.06518	11.2
72.08087	2.0
83.75578	1.3
84.04428	2.0
84.08068	5.9
86.09634	9.8
87.09388	1.3
91.05410	2.0
113.82434	1.3
120.08077	3.0
124.99974	3.1
125.53629	1.3
129.10248	2.0
143.53392	1.5
160.45432	1.6
176.98766	1.7
184.07297	7.3
267.49319	1.5
268.85312	1.6
273.88452	1.7
445.29172	1.7
453.16696	100.0
454.16922	6.8
717.55115	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4881
Annotation	Dioscin
Peak:m/z	Relative Intensity
61.02852	5.4
67.05427	14.7
69.03346	9.1
69.06988	12.8
70.06510	8.5
71.01258	4.5
72.08072	2.4
73.02836	22.1
79.05404	8.2
81.03337	1.2
81.06971	35.7
82.18816	0.9
83.08528	6.2
84.04422	1.7
84.08083	4.9
85.02348	1.1
85.02830	22.5
86.09622	5.3
87.04414	1.0
89.02278	1.8
91.05381	9.7
93.06974	28.2
95.01259	28.6
95.04945	1.0
95.08531	65.4
97.02810	12.5
97.10094	5.6
99.00732	2.2
101.02280	1.3
103.03862	4.4
105.00426	0.9
105.06976	28.3
107.08534	46.7
108.08855	1.3
109.06445	2.1
109.10107	45.0
110.07104	1.1
111.08026	5.9
113.02290	2.1
115.03891	4.4
117.06941	2.3
119.08530	35.9
120.08057	4.6
120.08816	1.1
121.10097	33.3
122.10399	1.5
123.11648	17.1
127.03863	1.5
129.06923	1.2
129.10165	4.6
131.03384	2.4
131.08528	10.0
133.10101	32.9
135.11662	24.0
137.13219	4.3
139.03819	1.1
139.11147	1.3
141.01808	58.3
142.02213	1.6
143.08514	2.2
145.10120	16.9
146.90639	1.0
147.11665	25.1
149.13246	19.2
157.10115	6.7
159.02841	7.3
159.11662	20.1
161.13226	24.6
163.14781	14.3
169.10014	1.1
171.11649	4.9
173.13208	17.4
175.14813	15.1
177.16338	12.9
183.29651	1.1
185.13219	6.6
187.14771	12.1
188.14980	1.0
189.16351	16.5
191.17873	5.0
199.14795	5.7
201.16373	23.1
203.17955	23.0
204.18263	1.2
205.15816	2.4
205.19510	4.6
207.17215	1.5
211.14673	1.5
213.16284	5.2
215.17915	9.9
217.19501	10.1
219.17572	1.9
227.17963	8.7
229.19475	9.7
231.20943	1.2
233.18896	1.2
239.17787	1.4
241.19449	6.7
243.21025	11.4
245.18896	1.7
255.21089	8.4
257.22568	5.9
267.20959	3.5
269.22513	8.5
281.22528	1.7
283.24106	2.1
295.24173	1.3
365.31970	6.5
386.24243	1.4
405.35028	22.2
406.35568	2.2
421.34613	2.2
423.36139	100.0
424.36404	10.1
425.37225	1.3
431.34500	1.1
441.37173	1.5
493.36353	1.1
511.37589	5.2
572.68195	1.3
581.38123	11.6
599.39093	6.2
679.03632	1.3
743.33820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33183	1.0
67.05425	10.5
68.99694	1.3
69.03349	18.2
69.06976	5.5
70.06506	18.2
71.04903	2.0
71.25239	1.3
72.08060	4.5
74.05995	1.2
79.05419	8.6
81.03331	2.2
81.06969	13.3
83.04903	40.1
83.08537	6.3
84.04432	7.5
84.08067	13.0
85.02832	7.9
85.06452	4.2
86.09638	9.4
87.00729	1.6
87.04383	2.4
91.05396	12.6
93.06976	16.7
95.04926	12.5
95.05438	1.6
95.08529	8.0
97.02825	100.0
97.06428	1.7
98.03149	1.2
98.06005	1.0
99.04360	1.3
102.05472	1.3
105.06982	17.3
107.08538	57.8
109.02823	7.2
109.06481	11.0
109.10117	21.8
110.07108	4.3
111.04416	2.2
111.08022	4.3
113.05914	1.5
115.03909	1.5
115.05419	1.7
117.06963	6.2
119.08523	12.4
120.08041	2.1
121.06445	14.5
121.10106	8.8
123.08022	2.3
123.11658	5.9
125.09595	2.0
127.03882	8.0
127.07519	2.3
129.05386	1.4
129.10213	7.9
131.08546	13.0
133.10095	30.0
134.10355	1.0
135.08023	94.7
135.11569	1.8
136.08417	1.1
137.05904	1.2
137.09653	1.3
139.07562	1.2
143.08545	5.0
145.06450	5.3
145.10083	10.5
147.08029	5.8
147.11693	2.2
149.05983	1.6
149.09593	2.6
149.13252	6.2
151.11157	9.7
153.09067	4.3
157.10039	1.3
158.10837	7.1
159.07997	7.3
159.11644	12.9
161.09636	8.4
161.13264	2.1
163.07518	27.5
165.12692	2.4
167.14310	11.4
172.08759	1.5
173.09637	2.2
173.13216	25.2
177.09119	1.7
177.12767	1.6
183.11719	2.0
185.13237	1.2
186.10338	5.0
187.11191	17.7
189.09085	2.4
189.12721	1.7
191.07042	4.7
191.14249	9.0
201.12721	13.1
203.14273	2.2
205.12273	10.5
209.15317	26.3
210.10405	1.3
219.13757	22.3
227.16524	1.4
229.12181	14.5
231.07945	1.1
247.13225	27.9
253.33673	1.3
265.14160	1.4
297.14752	1.6
315.15668	1.4
325.14203	5.6
343.15335	10.3
345.08176	2.0
361.16406	9.0
379.17596	10.3
591.20868	1.6
599.92639	1.2
609.22003	9.4
627.22742	10.2
678.18988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02855	36.9
65.03840	1.3
67.05424	24.2
69.03348	8.0
69.06982	16.1
70.06506	16.8
71.01259	4.3
71.04909	0.9
71.78368	0.7
72.08068	3.7
73.02825	19.6
74.05988	1.7
75.04393	1.6
79.05404	20.4
81.03323	4.4
81.06972	61.0
83.01234	0.8
83.04900	5.8
83.06002	0.7
83.08529	8.6
84.04426	9.0
84.07603	1.2
84.08065	22.8
85.02827	72.5
85.06475	0.9
86.09624	12.2
87.04321	0.9
87.09943	0.7
91.03876	34.0
91.05399	21.7
92.10918	1.0
93.06972	57.2
94.07271	1.1
95.01253	52.7
95.01862	1.9
95.04902	7.3
95.08532	100.0
96.08873	1.5
97.02218	1.5
97.02818	30.0
97.06469	7.0
97.10088	4.7
99.00726	5.0
99.04362	2.6
99.08009	3.6
100.04853	0.8
101.02312	1.7
101.07060	1.3
102.05469	3.0
103.03909	7.9
105.06978	58.0
106.07288	0.9
107.08537	75.1
109.02796	2.8
109.06446	10.8
109.10105	57.8
110.07157	5.4
110.10400	1.0
111.08022	19.4
113.02310	7.3
115.03847	1.0
117.06966	6.4
119.08530	78.4
120.08036	3.8
120.08817	0.9
121.06429	6.1
121.10094	60.6
122.10387	1.6
123.00726	1.8
123.08006	10.9
123.11651	19.5
125.09592	4.4
126.05482	1.1
127.03881	12.5
129.06935	1.7
129.10199	12.6
129.75281	0.8
130.07755	1.1
131.03348	3.6
131.08536	24.2
133.10092	84.7
134.10402	3.8
135.08029	6.7
135.10645	1.3
135.11658	35.7
136.07568	3.5
137.09546	3.8
137.13226	4.1
139.11136	1.8
141.01802	98.4
142.02090	1.9
142.07745	3.6
143.08549	13.9
145.04929	12.3
145.10098	55.8
146.10509	1.1
147.08023	1.4
147.11661	50.8
148.12003	1.1
149.09644	6.4
149.12027	1.4
149.13228	43.9
151.11142	3.4
155.08554	1.8
156.09299	3.0
157.08894	1.3
157.10098	27.5
158.10780	1.7
159.02855	8.7
159.07968	1.2
159.11659	61.4
160.12160	0.9
161.09570	4.0
161.13219	36.9
163.05971	13.8
163.11119	3.4
163.14812	11.1
165.12677	1.5
169.10051	8.1
170.10904	1.8
171.11641	23.2
172.12256	0.9
173.09464	3.6
173.13210	30.5
175.11201	6.0
175.14783	24.4
177.03841	2.9
177.12689	3.7
177.16345	18.3
181.09930	1.5
183.11668	10.2
184.12344	1.0
185.13231	14.1
187.14778	21.8
188.15175	1.0
189.12714	3.6
189.16336	30.3
190.16742	1.2
191.14265	1.8
191.17929	4.0
193.15829	4.1
195.11627	1.7
195.17363	0.9
196.12457	1.2
197.13206	8.3
198.13919	0.9
199.06950	0.8
199.11165	0.9
199.14781	17.1
201.12685	0.8
201.16350	28.1
203.14255	3.3
203.17926	12.5
205.15868	8.8
207.17412	5.6
209.13206	3.5
211.14783	7.2
213.16322	14.1
214.16809	1.4
215.14265	1.9
215.17894	14.7
216.18262	0.9
217.15855	9.1
217.19466	3.3
219.17387	8.5
223.14822	1.5
225.16336	6.7
227.17915	4.2
229.15717	3.2
229.19421	1.8
231.17360	13.3
233.18944	2.7
235.14737	1.0
235.16953	1.1
237.16272	4.4
239.17899	2.8
241.15970	1.3
241.19330	1.9
243.17305	6.5
243.21098	1.3
249.18530	0.9
251.17850	1.7
253.19498	1.7
255.20978	1.3
257.18958	1.5
265.19495	2.5
267.21097	1.0
269.18954	1.3
271.20465	3.0
281.19080	1.0
281.22552	1.0
283.20499	3.8
295.23834	1.2
297.25449	0.9
303.19220	1.3
305.22482	1.1
311.23380	1.6
321.25613	1.7
335.27213	1.8
339.26566	1.0
353.28220	5.1
361.28677	1.3
363.26788	1.0
379.29950	7.6
401.31763	3.5
407.33032	6.8
409.34683	1.2
419.33020	26.8
420.32932	1.3
425.33820	1.2
437.34052	36.2
438.34183	3.2
439.31845	10.9
453.03656	1.0
455.35007	6.5
467.35129	17.1
479.35052	27.2
480.35144	1.4
485.36127	1.4
497.36197	70.8
498.36655	5.7
514.23798	0.8
515.37250	22.8
516.37067	1.6
655.37408	1.7
673.38635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90945	2.6
64.32936	3.6
64.85013	2.9
67.05412	18.2
67.37739	2.6
69.03344	22.2
69.06979	28.1
70.06510	68.8
71.04890	6.5
72.08044	12.2
74.20622	3.0
79.05399	20.2
81.03336	5.7
81.06956	31.5
83.04899	55.6
83.08545	5.2
84.04424	17.2
84.08067	30.4
85.02837	9.7
85.06454	5.9
86.09618	20.8
87.04390	3.4
91.05409	24.8
93.06966	24.4
95.04891	25.9
95.08511	20.8
97.02824	100.0
97.06479	44.0
99.04383	12.1
105.06976	53.5
107.04908	3.6
107.08551	39.7
109.02826	5.9
109.06466	27.5
109.10107	52.1
110.07088	12.9
111.50055	2.9
117.06964	6.1
119.04914	3.3
119.08537	15.9
120.08079	4.4
121.06401	22.4
121.10071	36.8
123.07995	12.3
123.11619	13.4
125.05970	39.7
125.09542	5.2
127.03900	14.1
128.06073	3.2
129.06950	5.1
129.10161	18.7
130.07794	4.2
131.08549	33.7
133.06416	5.7
133.10088	55.3
135.08055	7.0
136.07524	5.4
143.07005	21.1
143.08546	3.3
145.10080	65.4
147.08038	3.7
147.11647	6.5
149.09682	4.4
149.13248	13.5
151.07545	3.8
151.11147	12.4
155.08411	3.9
157.10114	6.4
158.07263	4.4
158.10852	4.1
159.07971	7.2
159.11641	17.3
161.09462	3.3
163.11089	6.5
165.12648	5.3
167.14276	16.2
169.09973	4.4
173.09608	41.3
173.13188	13.9
177.12688	4.1
185.09595	3.3
187.07404	4.0
187.11168	26.4
189.09006	3.3
191.10661	3.9
191.14293	7.9
195.11580	4.1
197.09479	3.9
205.12134	7.8
209.15346	70.8
215.10617	20.8
233.11656	16.0
251.12579	5.5
255.13737	3.2
283.13245	3.3
303.68015	3.2
306.52444	3.5
311.12683	5.8
329.13779	13.2
347.14801	20.6
383.16669	6.5
420.28073	3.6
448.64185	4.0
499.18033	4.0
631.21820	18.4
668.00208	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02838	0.2
66.85473	0.1
67.05415	0.2
69.03351	2.4
69.33638	0.1
70.06499	0.5
71.04917	1.3
73.02818	0.4
79.05397	1.2
81.03341	2.5
81.06979	0.4
83.04877	0.1
84.04426	0.1
84.08064	0.1
85.02831	5.1
86.09622	0.1
91.05401	1.4
93.06971	0.6
95.04882	0.5
97.02827	13.0
97.06460	0.1
99.04389	4.7
103.03884	4.0
105.06981	2.7
107.04900	1.7
107.08547	0.6
109.02831	2.7
109.06464	0.5
109.10123	0.3
110.07096	0.1
111.04403	0.3
113.05961	0.1
115.03882	0.2
115.05465	0.1
117.06957	0.7
119.08533	2.9
121.06480	0.5
123.04369	0.1
125.05891	0.2
126.19221	0.1
127.03880	100.0
128.04210	1.2
128.06172	0.7
129.06978	0.5
130.07710	0.1
131.04932	0.2
131.08530	0.3
133.06448	0.4
133.10098	3.5
135.08049	0.1
137.09578	0.8
141.07011	0.1
142.07729	0.1
143.08553	1.6
145.04936	2.2
145.06436	0.3
145.10101	0.4
146.07240	0.8
147.08023	2.8
149.05945	0.1
157.10049	0.1
159.08026	0.1
159.11510	0.1
161.05952	0.3
161.09587	9.3
162.10007	0.2
163.06001	0.9
163.07466	0.2
163.63963	0.1
165.09123	1.1
168.09294	0.1
169.06274	0.1
169.10066	0.1
171.08035	0.3
173.09563	0.1
174.06636	0.1
175.07510	0.2
179.10637	0.7
183.11682	0.1
187.06015	0.7
189.09081	1.2
197.09665	0.1
199.06049	0.1
199.11226	0.1
207.10133	2.0
211.11230	0.2
215.10712	0.2
217.32388	0.1
222.38922	0.1
225.11266	0.3
229.12198	0.1
230.59042	0.1
239.10562	0.3
241.06952	0.1
255.06575	0.2
257.11679	0.6
268.01413	0.1
271.08279	0.7
275.12741	0.4
285.11191	0.4
289.09201	0.5
303.12280	0.8
307.10144	0.3
311.11288	0.3
321.13339	0.1
329.12296	2.8
433.07642	0.2
433.13336	3.8
434.13486	0.1
443.15497	0.4
443.63126	0.1
531.69806	0.1
799.95593	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	878.5821
Annotation	Unknow
Peak:m/z	Relative Intensity
63.59857	3.8
65.64890	4.0
67.05421	59.3
69.06984	36.0
71.04897	10.0
71.08543	45.8
79.05406	61.6
81.03326	20.3
81.06974	94.7
83.08527	19.5
85.02835	8.7
85.06471	7.2
85.10110	30.8
86.09615	19.1
91.05400	43.9
93.06972	62.2
95.04883	19.8
95.08528	59.4
97.06462	68.7
97.10118	6.5
99.08018	100.0
105.06973	36.3
107.04884	24.9
107.08525	21.2
109.06451	19.7
109.10130	11.2
117.06999	10.9
119.08525	22.9
121.06443	10.8
121.10054	17.4
122.38635	5.1
123.07999	10.2
123.11628	8.0
124.99956	8.7
127.07496	25.9
129.06953	8.7
131.08516	10.5
133.10144	15.7
135.07973	11.4
135.11655	5.0
141.01761	5.6
145.10107	18.9
147.08038	10.5
147.11685	8.2
149.09589	10.4
149.13255	8.7
157.10048	5.7
159.11687	6.3
171.11615	5.9
173.13145	5.2
174.74350	5.4
179.33023	4.5
184.07281	30.8
199.14687	4.6
217.15901	7.6
219.11946	4.9
223.53287	5.7
233.15288	8.5
245.13965	4.7
259.81351	4.8
261.27182	5.9
269.17352	20.0
273.18362	31.5
291.19608	40.3
297.68726	5.1
307.18872	23.1
341.30429	92.0
365.23050	47.6
383.24240	7.3
535.43329	33.9
573.44592	19.9
631.48926	81.5
649.50208	29.2
651.52032	5.6
731.38202	6.7
753.79761	6.8
825.53235	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63361	2.2
64.15684	2.5
64.58553	2.6
67.05427	22.0
69.06965	4.6
71.07273	9.7
79.05396	11.6
81.06966	17.6
86.09624	59.2
89.58289	2.5
91.05411	4.2
93.06972	13.3
95.08537	14.4
104.10677	28.1
105.06962	3.2
146.98152	52.2
148.46039	2.7
179.10199	2.6
225.91109	2.8
343.87497	2.7
444.82211	2.6
564.73657	2.8
619.46790	22.0
634.82080	3.0
641.33948	2.8
743.46283	39.4
744.45996	4.0
802.53381	100.0
803.52728	12.8
868.85315	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	885.247
Annotation	Unknow
Peak:m/z	Relative Intensity
67.90558	0.7
85.02808	0.9
89.56768	0.7
92.63718	1.0
92.89062	0.7
95.79249	0.9
131.01895	0.8
147.04378	4.0
194.16447	0.8
203.04111	0.9
247.17676	0.8
313.55603	0.8
371.04492	0.9
381.07794	4.1
543.13165	100.0
544.13159	5.4
601.99512	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.447
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03845	0.6
67.05080	0.5
67.05425	12.8
69.03349	6.8
69.06982	9.4
70.06507	5.3
71.01272	6.4
71.04891	2.5
71.08541	0.6
72.08042	0.6
73.02824	7.8
75.04385	1.0
79.05404	9.9
81.03324	1.9
81.06972	32.2
81.22777	0.4
83.01247	2.1
83.04879	2.9
83.08530	3.0
84.04424	0.6
84.08060	2.9
85.02824	74.0
86.03120	1.0
86.09601	2.0
91.05400	11.4
92.10915	0.5
93.06377	0.7
93.06968	32.1
95.01255	40.2
95.04887	3.0
95.08530	54.4
96.01600	0.5
96.08868	0.6
97.02818	11.7
97.03437	0.5
97.06429	4.2
97.10078	2.0
99.00759	4.9
99.08015	1.1
101.02313	3.3
103.03884	5.7
105.06974	29.6
107.08531	38.3
109.02829	2.3
109.06464	6.0
109.10097	27.2
110.07119	1.1
111.07326	0.6
111.08026	10.6
113.02304	11.2
115.05400	0.5
117.06946	5.1
119.08530	42.4
120.08074	0.5
120.08851	0.8
121.06470	3.4
121.09206	1.0
121.10089	30.2
122.10379	0.5
123.00747	3.0
123.08018	5.6
123.11655	9.8
125.09588	1.1
127.03862	2.6
128.06117	0.6
129.06940	2.4
129.10214	0.5
131.03351	7.0
131.08533	12.5
133.10089	45.0
134.10417	0.8
135.08044	3.5
135.11647	20.3
137.09570	2.1
137.13237	2.0
139.11111	0.9
141.01799	100.0
142.02158	0.9
142.07742	2.2
143.08534	7.1
144.09329	1.0
145.10097	29.2
145.11258	1.0
146.10886	0.6
147.07968	1.0
147.11658	27.3
149.09576	2.8
149.13229	19.4
150.13515	0.7
151.11153	1.1
155.08553	1.9
156.09317	0.8
157.10100	13.6
158.10893	1.9
159.02849	18.8
159.08072	0.6
159.11652	33.9
160.12173	0.7
161.09561	2.1
161.11993	0.7
161.13211	19.4
163.11136	2.5
163.14766	6.8
165.12653	0.7
169.10027	3.5
170.10898	0.6
171.11609	10.2
173.09637	0.7
173.13210	15.9
175.11148	3.0
175.14789	13.0
177.03914	6.3
177.12727	1.0
177.16359	10.4
181.10132	0.6
182.10782	0.6
183.11624	5.1
184.12410	0.6
185.13194	6.6
186.13855	0.5
187.11055	0.5
187.14789	12.1
189.12703	2.3
189.16335	14.5
191.14249	0.7
191.17908	1.8
193.15886	2.0
195.11659	2.0
195.17354	0.8
197.13217	4.3
199.14786	8.0
201.12621	0.6
201.16341	14.5
203.14265	2.6
203.17914	7.0
205.15825	5.5
207.17377	3.8
209.13234	2.3
211.14696	4.7
213.16357	8.5
215.14293	2.0
215.17892	7.0
217.15822	5.1
217.19537	0.9
219.17293	5.2
223.14775	1.0
225.16351	3.1
227.17944	2.9
229.15782	2.2
229.19490	1.1
231.17384	6.9
231.21078	0.7
233.19020	0.6
235.16899	1.1
237.16295	0.8
239.17947	1.1
241.15674	0.5
241.19426	1.1
243.17422	3.8
243.21037	0.8
245.18988	0.7
247.16838	0.7
249.18442	0.7
251.17879	0.7
253.19403	0.8
255.17403	0.6
255.21039	1.0
257.19141	0.7
257.22443	0.6
259.20685	0.7
261.05814	0.5
261.18298	0.5
265.19510	1.8
267.21039	1.0
269.18939	0.7
269.22437	1.1
271.20563	2.0
283.20401	0.9
291.19406	0.5
293.22626	0.5
295.24234	0.8
297.21948	0.5
303.19449	0.9
311.23727	0.7
317.05054	3.1
321.20721	0.9
321.25601	0.8
335.27106	0.9
339.26694	0.9
353.28229	3.5
361.28754	0.7
379.30035	4.5
390.59567	0.5
401.31866	2.3
407.32877	4.1
409.34860	0.6
419.33026	15.7
425.34067	0.7
437.34039	22.7
438.34232	1.1
439.31836	5.2
455.35144	3.5
457.33047	0.5
467.35150	10.6
479.35114	14.9
480.35150	2.0
497.36160	31.2
498.36508	2.4
515.37256	15.0
516.37311	0.9
516.54968	0.6
628.70648	0.5
820.72833	0.6
895.03882	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18081	0.2
67.05450	0.3
68.04955	0.5
69.03362	0.4
69.04459	0.3
69.06999	2.1
70.02876	2.3
70.06512	47.7
71.06840	2.5
72.08073	25.2
72.08504	0.3
73.08403	1.6
74.05991	8.4
74.09634	0.2
75.04404	0.3
76.03906	0.2
81.03334	0.3
81.04475	0.8
82.05265	0.2
82.06507	0.9
83.06031	4.6
84.04434	9.1
84.08072	16.1
85.02843	1.0
85.03944	0.2
85.04768	0.3
85.08405	0.4
86.06017	0.4
86.09631	20.6
87.05519	3.1
87.09973	1.2
88.03918	2.0
91.05405	0.5
93.04459	3.3
95.04919	0.2
95.06018	2.0
96.04420	0.5
96.08015	0.7
97.02837	1.0
97.07614	0.3
98.02327	0.4
98.06004	0.4
98.09632	0.5
99.05525	1.0
101.07082	2.8
102.05465	1.5
103.05421	0.5
105.06533	0.2
110.02303	0.2
110.07121	33.0
110.09626	0.5
111.05524	1.0
111.06799	0.3
111.07449	1.6
112.03979	0.3
112.07566	0.2
112.08705	1.0
113.07073	1.1
115.05044	0.3
115.08646	1.0
117.06533	0.2
120.08058	5.9
121.08420	0.3
122.07131	1.6
125.07066	0.8
126.05512	0.4
127.04016	0.2
127.05007	1.3
127.08659	2.3
128.05212	0.2
128.10725	0.3
129.06549	0.5
129.10214	9.0
130.04976	0.5
130.08632	0.4
130.10571	0.3
131.08119	0.5
136.07635	0.4
136.08690	1.4
138.06566	0.8
138.09123	0.3
138.12672	0.3
139.03912	0.4
139.04947	0.5
139.08656	1.2
140.08185	0.3
141.06621	1.0
141.10219	1.1
142.12248	0.3
143.11745	1.7
145.06061	0.8
150.06615	0.9
151.08611	0.4
152.00940	0.2
152.14278	0.2
153.06517	0.3
153.10185	0.3
155.04468	0.3
155.08122	1.2
155.11748	1.2
157.06036	0.3
157.09755	0.4
159.07654	1.1
162.06718	0.4
162.10283	0.3
164.11812	0.3
165.06575	0.2
166.06067	0.3
167.03389	0.8
167.08119	1.0
167.09334	0.8
168.05626	0.2
169.06284	1.5
169.09708	0.4
169.13379	0.4
171.07716	0.9
171.11267	1.8
172.10980	0.2
173.05682	0.3
173.12856	1.4
176.08246	0.3
176.11884	0.5
177.10265	0.4
178.06181	0.3
181.06148	0.3
181.09578	0.4
181.10945	0.3
183.11346	0.3
183.14932	2.2
184.07268	0.3
185.05595	0.3
185.09221	1.0
185.12828	0.4
185.16481	0.2
187.07120	0.5
187.14449	0.5
189.08775	0.5
195.08836	0.9
195.11255	0.3
196.05244	0.3
197.05969	1.5
199.07179	0.3
199.10754	0.4
200.13921	0.2
201.12381	0.5
207.11258	1.0
209.10362	0.9
211.14401	0.3
212.10223	0.8
213.08623	0.9
214.06218	0.8
217.08177	1.0
219.12532	0.3
221.10379	0.4
222.08763	0.3
225.05458	3.3
227.10083	0.3
228.13428	0.5
229.08553	3.9
237.13515	0.3
238.08232	0.3
238.11943	0.3
240.13420	0.4
242.05653	3.7
242.14967	0.4
257.08020	0.5
257.13803	0.3
267.10849	0.4
270.05167	17.4
274.10144	0.3
285.07529	100.0
286.07904	3.5
295.10260	0.2
491.75079	0.3
531.26239	0.2
568.37823	0.2
641.25885	1.9
646.63959	0.2
759.45148	0.3
771.53485	0.3
772.93182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88780	0.5
65.03854	1.2
67.05433	5.3
69.03354	10.1
69.06990	0.6
70.06509	2.7
71.04904	1.2
78.03741	0.6
79.05399	2.4
81.03318	0.8
81.06970	4.7
83.04906	4.2
84.04421	0.7
84.08109	0.5
85.02837	8.3
87.04380	0.5
91.05412	6.2
92.64230	0.6
93.03328	1.1
93.06980	10.4
95.04903	14.1
95.08545	5.5
97.02831	3.3
97.06464	2.9
99.04391	1.2
105.06976	15.5
107.04874	0.9
107.08521	5.7
109.02827	1.3
109.06474	9.7
109.10108	1.1
110.07166	0.6
111.04382	8.1
111.08022	2.3
113.05962	5.3
117.06937	4.0
119.08535	21.9
121.02803	3.5
121.06461	12.3
121.10102	4.0
123.04391	0.7
123.08008	7.3
125.05912	0.7
127.03863	1.1
128.06215	0.8
129.06931	2.3
130.07777	0.7
131.00215	0.5
131.08553	11.8
133.06442	3.2
133.10104	5.4
135.08015	23.3
137.06003	0.6
137.09593	4.3
139.03879	2.4
139.07513	1.1
141.06970	1.2
142.07721	1.4
143.08569	5.7
144.09361	2.0
145.06447	2.5
145.10085	10.3
146.07245	0.7
147.08032	12.5
147.11678	5.4
148.08638	0.8
149.05972	1.0
149.09581	4.8
151.07556	1.2
155.08514	3.4
156.09331	1.3
157.10120	5.0
158.07214	6.2
158.10876	1.0
159.08032	12.2
159.11676	11.3
161.09589	12.3
161.13251	0.8
163.07449	0.8
165.09076	9.4
168.09270	2.8
169.10110	2.1
171.08012	2.7
171.11635	3.8
172.08775	5.1
173.09619	7.2
173.13232	7.3
175.07510	21.7
175.11139	12.9
183.11656	4.0
185.09659	2.3
186.10286	1.1
187.07533	0.8
187.11172	11.8
189.09056	4.8
189.12759	4.4
191.07088	0.6
193.08578	5.1
193.10045	1.4
196.08795	2.5
199.11130	8.2
201.12711	10.6
203.10631	12.9
205.12233	1.3
207.10086	2.1
211.11145	6.4
217.12204	8.6
219.13744	3.5
221.04741	1.1
229.10088	0.8
229.12166	9.1
235.13193	2.7
239.05888	1.2
247.13268	25.7
248.13615	1.0
263.05829	0.7
265.14294	100.0
266.14597	3.5
285.72516	0.6
301.41849	0.6
321.10165	0.9
339.11121	2.8
363.10648	0.9
382.55112	0.6
409.18735	0.7
443.12131	3.3
445.13171	0.6
476.11746	0.6
483.15198	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05420	11.3
68.99693	1.2
69.03348	7.5
69.06978	14.2
70.06501	0.9
70.08174	0.7
71.00915	1.3
71.01270	18.8
72.08089	1.5
73.02829	21.0
75.04386	4.4
79.05413	11.2
81.06972	37.8
82.33823	0.8
83.08531	7.3
84.08067	1.6
85.02824	35.6
86.09618	1.2
91.05379	9.6
93.06969	28.9
95.01250	30.1
95.08530	72.8
96.08857	1.1
97.02827	11.7
97.10095	2.1
99.00742	4.4
101.02312	43.4
103.03886	4.8
105.06970	28.7
107.08537	48.4
109.06537	1.1
109.10105	47.4
111.08008	8.6
111.11667	1.5
113.02316	5.1
115.03892	4.9
117.06972	3.8
119.08536	38.3
119.09335	1.9
121.10098	36.6
123.11681	18.4
127.03873	87.0
128.04292	1.1
131.08536	11.5
133.10095	33.3
135.11665	22.6
137.13231	5.5
139.11211	1.3
141.01802	53.4
143.08546	4.0
145.04935	35.4
145.10081	19.6
147.11667	25.0
149.13225	21.3
153.59227	0.9
157.10123	6.3
158.10860	1.3
159.02853	4.3
159.11671	21.8
161.13222	24.5
163.14758	15.3
169.10217	1.0
171.11722	6.9
173.13225	17.4
175.14795	16.8
177.16315	15.5
179.17973	0.9
183.11668	1.2
185.13268	6.0
187.14786	12.5
189.16339	17.2
191.17848	8.0
199.14818	8.6
201.16364	31.9
203.17885	23.1
204.18378	1.1
205.15891	4.8
205.19551	4.1
207.17583	1.7
213.16315	7.2
215.17915	10.9
216.18369	1.3
217.15869	1.2
217.19473	12.8
218.19875	1.0
219.17383	3.4
219.20946	1.2
225.16286	1.2
227.17960	7.0
229.19492	11.0
231.21008	1.3
233.18944	1.8
234.35901	1.0
241.19437	5.0
243.20924	4.5
245.18802	1.4
255.21060	8.5
257.22571	5.6
269.22672	5.1
271.24060	2.2
281.22632	1.6
283.24084	4.2
295.24481	1.2
297.25650	1.7
311.27139	1.2
365.31909	6.7
392.32153	1.0
405.35049	22.2
406.35526	1.3
423.36108	100.0
424.36270	8.5
441.36868	1.3
513.62201	1.2
538.82050	0.9
567.40057	1.8
581.38324	11.1
597.27570	1.0
599.39252	8.5
648.79425	1.2
697.01221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56355	0.5
65.03867	0.5
67.05425	11.5
69.03353	6.2
69.06988	11.3
70.06506	8.4
70.09247	0.5
71.01270	16.5
71.04915	0.9
71.08579	0.9
72.08062	4.2
72.36393	0.6
73.02834	15.0
75.04401	3.7
78.66360	0.5
79.05414	8.0
81.06976	23.7
83.08550	5.8
84.04420	0.7
84.08058	6.2
85.02827	29.8
85.03340	1.2
86.09634	5.8
87.05528	1.2
91.05402	8.0
93.06969	21.1
95.01253	19.0
95.04891	1.3
95.08533	61.3
97.02814	9.3
97.06517	0.8
97.10106	3.2
99.00742	1.3
99.04374	1.0
101.02319	31.6
103.03876	1.2
103.05426	0.7
105.06974	23.0
107.08535	36.6
109.06451	1.0
109.10105	36.0
110.07144	1.2
110.10426	0.8
111.08025	6.5
111.11660	2.6
113.02322	1.5
115.03878	5.1
117.06956	2.7
119.07676	0.8
119.08534	30.8
120.08048	4.4
121.10097	31.1
123.00741	1.0
123.11649	15.5
127.03872	63.6
129.06900	0.9
129.10211	4.3
131.03362	1.0
131.08540	8.7
133.04964	0.9
133.10100	27.8
135.11656	20.7
136.07542	2.8
137.13199	5.4
139.11163	0.9
141.01799	43.4
142.02177	0.9
143.08569	2.6
144.09329	1.0
145.04941	34.8
145.06096	1.2
145.10106	17.0
147.11670	24.3
149.13237	16.1
153.10660	0.6
157.10132	5.0
159.02849	5.3
159.11662	19.6
161.13217	23.7
163.10997	0.8
163.14780	9.4
165.12726	1.1
170.10822	0.7
171.11610	5.8
173.13220	12.1
175.14778	14.3
177.03801	1.0
177.16354	15.2
179.17920	1.3
184.07286	3.1
185.13286	4.1
187.14746	12.1
189.16336	16.0
191.17929	7.0
193.15906	0.9
199.14766	5.5
201.16359	21.3
202.16737	0.9
203.17934	24.1
205.15834	4.7
205.19547	3.5
207.17462	2.6
213.16379	5.8
215.17928	12.3
217.15924	1.1
217.19449	14.3
219.17398	3.6
225.16338	0.9
227.17926	8.3
229.19440	11.0
231.17358	0.9
231.21066	1.4
235.20518	1.3
241.19467	3.2
243.20996	5.3
245.18970	1.3
253.19368	1.3
255.21039	4.7
257.22580	4.9
259.20584	0.9
269.22668	4.6
271.24347	1.0
283.24078	2.8
289.51071	0.7
295.24094	1.4
297.26047	0.9
309.25394	1.0
358.69556	0.7
365.31970	7.9
393.34955	0.9
405.35052	21.5
406.35239	1.5
407.36417	0.7
423.36115	100.0
424.36533	8.1
441.37054	1.3
453.62613	0.6
501.32315	0.7
549.39142	1.1
567.40118	3.0
581.38184	11.7
582.38623	0.8
599.38995	5.9
762.22278	0.6
905.99475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05425	18.5
67.26900	2.9
69.06982	18.1
70.06512	66.9
71.01270	11.6
72.08067	37.5
73.02826	15.0
74.05982	3.7
79.05408	16.7
81.06974	48.6
83.08542	5.0
84.04429	17.3
84.08075	63.8
85.02825	56.7
85.08423	3.3
86.09640	37.7
87.05507	6.3
88.03893	3.6
91.03886	21.2
91.05408	23.0
92.10933	14.2
93.06978	35.8
95.01260	43.5
95.08541	91.1
97.02825	18.2
97.10069	3.6
99.00758	3.9
102.05464	5.4
103.05439	4.6
105.06978	43.2
107.08544	48.3
109.02905	2.7
109.10104	63.8
110.07111	25.3
111.08028	4.8
113.02327	5.2
119.04913	5.1
119.08546	58.5
120.08076	38.0
121.10102	36.0
123.11687	16.3
124.99953	3.5
127.03911	5.9
129.10201	39.6
131.08505	15.6
133.10092	50.5
135.11664	29.5
136.07564	21.5
137.13239	6.1
141.01810	87.3
141.10199	5.3
145.04964	5.8
145.10159	22.0
147.11682	31.7
149.13235	25.7
157.10106	6.6
159.02870	4.1
159.11665	31.0
161.13243	23.1
163.06007	4.3
163.14757	12.1
169.10059	4.0
171.11617	3.9
173.13206	16.8
175.14784	25.8
177.16322	6.5
184.07291	14.9
187.14825	11.6
189.16385	19.4
191.17926	6.6
199.14841	5.4
201.16345	13.5
203.17952	21.9
205.19470	3.8
207.17503	11.0
212.12665	3.2
213.16383	7.1
215.17892	4.9
217.19469	17.4
219.17378	5.3
227.17865	5.0
229.19368	20.9
255.21021	2.9
257.22626	3.6
269.22559	4.7
336.31186	3.2
365.32098	3.9
405.35126	21.8
423.36200	100.0
554.90247	3.2
581.38037	5.7
598.85120	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	895.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05426	14.7
69.03355	15.0
69.06979	16.9
69.43480	1.8
70.06512	56.0
71.01273	2.6
71.04911	36.1
72.08051	15.9
73.02840	21.0
75.04402	3.2
79.05404	9.5
81.06976	33.7
81.18004	2.1
83.04890	17.7
83.06021	2.5
83.08547	8.3
84.04425	10.6
84.08060	32.2
85.02825	90.3
86.09623	22.9
91.05418	10.7
93.04423	2.3
93.06974	20.0
95.01250	27.7
95.04875	3.2
95.08532	79.7
97.02822	23.1
99.00770	3.2
99.04388	3.4
102.05461	2.5
103.03883	3.6
105.06965	19.9
107.08533	44.1
109.10108	59.0
110.07095	16.0
111.04406	12.8
111.08063	2.8
113.02328	4.9
115.03888	3.2
117.03312	2.7
118.39271	2.1
119.08530	32.0
120.08081	25.0
120.49638	2.0
121.10109	38.6
121.10954	3.3
123.11662	15.1
124.99936	2.1
126.35729	2.1
129.05455	11.8
129.10197	14.6
130.06548	2.5
131.08525	9.0
133.10097	45.4
135.11656	29.9
136.07591	8.8
137.13217	3.1
139.03877	2.8
141.01797	57.9
143.08513	2.6
145.10092	21.3
147.06497	7.6
147.11638	25.7
149.13254	17.4
157.10071	4.7
159.11681	15.3
161.13234	18.4
163.14787	12.0
171.11615	4.3
173.13245	12.9
175.14780	12.9
177.16350	9.3
184.07343	8.9
185.13248	2.8
187.14778	12.0
189.16339	17.9
191.17889	8.9
199.14784	4.6
201.16379	14.1
203.17844	15.1
215.17938	12.8
217.19484	10.5
225.07570	2.3
227.17807	3.5
229.19353	24.5
233.19235	2.4
255.21065	2.5
257.22565	11.3
269.22632	4.1
274.74271	2.2
279.10690	3.7
283.23990	4.2
305.08841	3.5
334.11853	2.1
365.31799	9.0
405.35162	23.5
410.66806	2.4
423.36108	100.0
424.36496	9.5
453.37155	2.4
581.37885	12.2
599.39270	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	898.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03347	1.9
70.06512	1.4
71.04905	0.2
73.02835	0.8
74.09605	0.2
81.03333	2.2
83.04909	0.2
84.04430	15.5
84.08057	0.2
85.02828	5.1
91.53035	0.2
92.10301	0.2
97.02831	3.4
99.04385	4.4
102.05478	0.3
103.03881	5.0
109.02843	2.4
111.09858	0.2
115.03848	0.2
117.05714	0.3
117.07005	0.3
118.06491	7.6
127.03880	100.0
128.04227	2.4
130.04974	4.0
130.06509	1.1
132.08051	4.6
142.06549	1.4
143.07275	0.8
144.08078	9.0
145.04955	3.0
146.05991	43.5
147.06323	1.1
159.09151	9.8
160.07561	0.5
160.09541	0.3
163.06004	1.0
169.07564	0.2
170.05962	3.7
181.04919	0.3
187.05852	0.5
188.07033	74.7
189.07416	2.2
201.00677	0.3
205.09695	11.1
206.10043	0.3
225.10184	8.2
226.10464	0.3
271.07990	0.4
271.10718	0.8
278.51477	0.2
289.09064	0.4
307.10141	0.3
316.12860	0.3
317.11057	1.0
334.13916	28.5
335.14197	1.6
424.44547	0.2
433.13342	10.8
434.13434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03851	0.4
68.04922	0.4
69.03360	2.4
70.06503	3.2
71.04922	0.4
72.08074	16.7
73.02837	0.5
74.02365	2.1
74.05991	5.0
81.03343	0.6
81.04455	0.7
81.06993	0.5
82.06503	0.6
84.04420	3.6
84.08070	2.0
85.02843	5.3
85.03955	16.5
86.09637	5.5
87.00674	0.5
88.48721	0.3
90.70467	0.3
91.05414	17.1
92.05795	0.4
92.10920	1.7
93.06970	0.6
95.04929	0.4
95.08506	0.8
97.02831	3.4
98.05980	0.3
99.04419	0.4
99.05475	0.4
101.07098	0.8
101.07742	0.4
103.05418	0.4
105.06982	0.5
107.04903	12.9
107.08518	0.7
109.02818	0.9
110.07081	0.4
111.05521	0.8
114.05501	0.4
115.03863	0.9
115.05397	1.8
117.05717	1.6
117.06915	0.6
118.06511	2.7
119.04897	16.3
121.06458	3.2
122.05946	1.2
127.03861	2.6
127.08627	3.8
129.06555	7.2
129.10208	0.5
130.05002	1.2
130.06500	17.9
130.08604	0.8
132.08060	36.4
133.08397	0.6
135.06792	0.4
135.07922	0.4
136.07561	100.0
137.07895	1.4
139.08675	0.8
141.01828	0.4
141.10162	0.4
142.06520	4.8
144.08070	17.7
145.04922	0.6
146.05994	74.4
147.04431	3.1
147.06328	1.6
148.07605	3.0
154.06538	0.5
157.04942	1.5
157.07497	0.6
158.06015	0.5
158.08388	2.5
158.09555	0.4
159.09155	83.7
160.07535	6.9
160.09497	0.9
163.08633	1.9
164.07027	2.4
165.10252	0.5
167.08170	0.4
169.07584	21.4
170.05972	16.4
170.08186	0.6
171.09053	2.9
174.05482	6.3
174.09160	0.4
175.13261	0.4
175.14912	0.5
176.07048	2.2
181.07553	0.6
181.09698	2.3
183.09225	0.5
183.11172	0.5
185.07098	3.0
187.08646	6.1
188.06963	0.7
191.08115	12.4
192.06595	0.9
192.08492	0.5
192.10173	1.5
193.09717	0.5
195.07634	2.2
197.05530	0.5
197.07100	3.7
197.10730	3.0
199.08549	1.3
202.08598	2.5
203.08224	0.4
207.09027	0.4
217.06923	0.4
217.13358	1.5
222.12491	0.4
225.06552	0.5
225.10164	2.2
227.08060	0.4
229.09625	3.1
230.08115	1.3
235.14352	0.5
237.02791	0.5
237.12288	1.6
240.00818	0.4
241.13342	0.7
242.12746	0.7
245.12817	14.4
247.10779	2.9
250.11981	0.5
251.11710	1.8
257.09149	2.2
260.11252	0.5
260.13901	4.5
265.11804	2.2
268.14447	2.2
269.12897	0.4
270.12399	3.3
273.12311	30.4
273.15552	1.4
275.10229	0.7
288.13361	6.6
290.14972	8.3
296.13800	0.9
301.11746	5.0
301.15399	10.6
301.39340	0.4
302.15408	0.6
318.14471	2.2
318.18060	9.0
319.18323	0.6
328.16373	1.8
330.14200	0.6
332.13751	1.6
356.16135	1.3
364.17981	0.4
374.16959	2.4
381.22720	0.6
384.15433	6.6
385.15601	0.4
401.17889	0.8
402.16464	3.5
419.23114	3.0
427.23245	2.1
433.18698	1.3
436.18488	2.6
453.21332	1.4
459.20065	0.9
481.20877	7.8
515.99121	0.4
516.22510	0.7
525.21313	0.4
538.22272	0.7
542.23932	4.0
546.21594	0.4
547.21753	0.7
554.25873	1.7
560.25000	3.5
561.39410	0.5
564.24396	15.6
565.24316	0.8
570.23145	3.5
582.25476	9.0
583.25781	0.6
587.25867	0.6
588.24359	2.7
649.38629	0.5
701.32434	0.8
705.29803	0.7
706.28876	0.5
722.31995	2.3
724.30316	1.4
750.32275	12.2
751.31696	1.8
768.33160	0.8
812.53796	0.5
881.41394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01491	0.4
65.03851	0.6
67.05131	0.6
67.05434	11.7
69.03354	3.7
69.06984	11.4
69.63128	0.5
70.06519	7.8
71.01257	2.5
71.08547	0.7
72.08061	2.7
73.02830	11.5
79.05404	7.9
81.03333	1.2
81.06980	27.7
83.01252	1.0
83.08539	7.3
84.04431	0.9
84.08068	6.2
85.02830	36.9
86.09612	2.8
91.03880	17.3
91.05409	8.1
93.06976	22.8
93.07860	0.5
95.01258	28.1
95.04896	1.0
95.08535	60.1
96.08834	0.6
97.02824	17.6
97.10075	4.4
99.00744	2.2
99.04380	2.1
101.02322	1.2
103.03881	5.0
105.06973	23.0
107.08537	44.2
109.02817	0.8
109.06442	0.6
109.10109	33.4
110.10401	0.6
111.08026	4.6
111.11638	0.6
113.02303	4.3
114.37080	0.5
115.03893	0.9
116.96816	0.5
117.07008	2.1
119.04876	0.6
119.08536	28.6
120.08098	4.0
120.08817	0.6
121.10106	32.4
123.00760	0.6
123.11658	15.5
126.96516	0.5
127.03908	5.7
127.97109	0.5
129.10196	2.9
131.03368	2.2
131.08551	9.1
133.10100	28.3
135.11673	21.0
136.07515	1.9
137.13258	4.2
139.11174	2.9
141.01808	66.4
142.02187	0.8
143.08533	3.5
144.09265	0.8
145.04929	6.3
145.10110	17.8
147.11665	24.4
149.13237	13.4
151.11229	0.7
153.12798	0.8
157.10139	5.3
158.10849	0.9
159.02864	6.9
159.11670	18.3
161.13225	23.0
163.05971	8.4
163.14769	10.8
165.12697	1.1
169.10135	0.9
171.11652	5.8
173.13231	14.5
175.14780	11.7
177.03967	2.0
177.16357	13.4
179.17853	2.1
183.11618	1.9
185.13228	4.7
187.14783	13.6
189.16357	13.4
191.17937	5.0
193.15836	2.1
197.13194	1.0
199.14754	7.1
201.16377	19.8
201.18182	1.0
202.16844	0.6
203.17924	24.9
205.15807	4.4
205.19493	3.0
207.17421	2.4
211.14751	1.1
213.16335	5.5
214.16815	0.5
215.17918	11.3
217.15871	2.9
217.19472	11.3
217.21445	0.7
219.17435	4.6
219.21021	0.6
225.16286	0.9
227.17876	7.7
229.19476	10.4
230.19911	0.6
231.21107	2.8
233.19002	1.0
239.17938	2.0
241.19406	4.6
243.21027	10.2
245.18977	0.9
253.19443	1.2
255.21056	6.4
257.22638	5.6
259.20572	0.7
261.22040	1.1
267.20953	2.1
269.22568	6.9
271.24173	0.7
281.22604	0.9
283.24265	2.5
295.24136	1.1
297.25647	0.9
313.25195	0.9
339.09094	0.6
365.32047	6.3
404.02744	0.6
405.35062	21.2
421.34457	0.9
423.36145	100.0
424.36349	4.7
441.37268	3.6
493.36505	0.9
511.37646	3.2
581.38434	5.8
599.39362	10.3
778.47076	0.6
798.75549	0.6
934.08795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.5002
Annotation	AM 6222B
Peak:m/z	Relative Intensity
67.05431	17.9
69.03351	25.6
69.06989	18.2
70.06517	16.6
71.01257	5.1
71.04901	1.3
72.08058	4.0
73.02835	71.9
79.05398	11.3
81.03348	4.1
81.06512	1.4
81.06980	41.3
81.52532	1.1
83.01279	1.1
83.08536	4.9
84.04425	5.9
84.08070	12.7
85.02342	1.6
85.02833	38.8
86.09641	9.1
87.04385	2.2
91.05403	11.0
93.06438	1.7
93.06975	33.6
95.01257	47.4
95.08533	79.0
97.02822	34.9
97.10108	5.2
99.00734	6.4
99.04357	1.5
101.02302	1.9
102.05438	1.0
103.03854	5.7
105.06981	47.6
107.08540	53.9
109.02846	2.3
109.06479	1.2
109.10114	57.7
110.07109	6.1
111.08031	10.2
113.02319	7.3
115.03873	18.4
117.06965	1.9
119.08539	48.0
120.08051	2.3
121.10107	40.1
123.00759	1.2
123.08022	1.2
123.11659	18.3
125.09598	2.1
127.03869	5.2
129.10191	5.6
131.03406	1.6
131.08548	8.1
133.04939	5.5
133.10103	47.5
135.11670	34.8
137.09607	1.4
137.13222	5.6
139.11185	1.8
141.01813	100.0
143.08540	5.7
145.10104	24.6
147.11673	44.2
149.13237	25.4
151.11110	1.5
157.10118	5.1
159.02870	10.2
159.11656	22.8
161.13232	27.8
163.14780	10.3
165.12682	1.2
171.11676	5.3
173.13228	11.4
175.14769	18.1
177.03885	1.3
177.16389	12.0
185.13184	4.5
187.14781	10.8
189.16321	17.2
191.17921	4.8
193.15829	2.1
199.14816	4.2
201.16330	15.6
203.17932	48.4
204.18228	1.3
205.15900	1.9
207.17256	1.7
211.14845	1.2
212.75790	1.0
213.16338	4.4
215.17928	13.7
217.15898	2.3
217.19490	13.9
219.17404	5.8
221.18945	3.9
227.17934	6.5
229.19528	15.6
231.20956	1.6
233.19035	2.5
241.19398	1.7
243.20985	2.0
247.20531	10.9
255.21001	3.9
257.22549	5.6
269.22583	5.3
273.22086	1.6
275.23602	1.5
283.24054	2.2
285.22446	2.1
295.24271	1.4
297.25760	4.3
365.31912	5.0
393.35202	1.4
405.35114	19.1
411.36148	1.3
423.36166	93.2
424.36362	5.3
441.37131	22.3
442.37405	1.3
505.26398	1.2
555.40637	11.0
556.40613	1.2
563.32343	1.1
573.41437	8.9
581.38141	8.5
599.39563	11.7
731.43848	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03867	0.5
65.11793	0.5
67.05422	4.3
67.55018	0.5
68.04963	1.4
68.99671	0.7
69.03350	30.6
69.06989	23.2
70.02863	1.5
70.06510	100.0
71.01262	1.4
71.04897	3.4
71.06837	5.4
72.04469	0.7
72.08052	3.3
73.02435	1.3
73.02831	36.2
73.07742	0.6
74.05975	7.7
74.53395	0.6
75.04411	0.8
75.05518	1.2
79.05407	12.3
81.03336	12.6
81.06967	4.4
82.06477	1.2
83.04894	5.0
83.06018	6.5
84.04428	47.2
84.04936	1.5
84.08067	87.8
84.72601	0.6
85.02827	73.0
85.04758	0.8
85.08402	4.6
86.03136	0.6
86.05962	1.2
86.09628	24.8
87.00749	13.3
87.04374	3.1
87.05523	4.8
87.09952	1.4
88.03914	1.3
91.03858	2.5
91.05399	19.3
92.05741	1.4
93.04435	3.2
93.06980	12.6
95.04886	2.4
95.06003	0.9
95.08524	2.6
96.04417	1.6
96.08052	1.1
97.02823	37.6
97.06448	3.4
98.05991	8.1
99.04403	6.7
99.34998	0.6
101.07078	7.8
101.10735	1.2
102.05488	9.8
103.03863	2.6
104.05273	6.2
105.01154	0.9
105.01815	15.0
105.07030	1.2
107.04882	2.5
107.08530	5.4
108.04441	0.6
109.02835	14.3
109.10094	0.8
110.07112	32.5
110.09645	0.8
111.09172	2.6
111.11673	6.9
112.07590	0.8
112.08662	2.8
113.07072	2.6
115.03877	12.2
115.05019	0.8
115.08656	4.9
116.07042	1.0
119.04914	6.2
119.08525	0.8
120.08075	4.6
121.06481	0.9
121.10094	1.4
122.07053	1.1
123.04330	0.6
123.11609	0.7
125.05928	8.9
125.07027	2.7
126.05458	4.2
127.03877	35.0
127.04816	1.3
127.08621	4.2
129.06564	1.6
129.10201	53.7
130.04971	10.6
130.10562	1.6
131.08122	1.2
132.06488	0.9
132.08058	0.7
133.04950	9.1
133.10094	4.2
135.07997	1.1
135.11658	37.8
136.07561	33.2
136.08455	0.8
136.11934	1.2
137.07939	1.2
139.07498	4.6
139.08612	3.3
141.06584	2.8
141.10214	3.7
145.04941	20.8
145.06047	1.2
146.06229	2.6
147.07620	9.4
149.01151	0.7
149.13229	4.0
150.07585	0.8
151.03937	0.7
152.03395	0.9
152.08179	0.9
153.06615	2.6
153.09039	1.3
153.10214	1.2
153.12711	1.2
155.08083	1.4
159.02846	3.7
159.07616	3.0
159.11642	2.6
163.06018	5.8
167.08067	1.1
167.11771	0.8
169.06081	2.6
169.09682	1.6
169.13300	3.0
171.07603	1.1
171.11415	0.9
173.09192	5.6
176.11829	0.9
177.12691	5.5
181.06053	2.6
181.09636	1.2
181.13339	0.8
184.07318	0.8
195.08792	1.2
195.11226	2.3
195.13766	39.9
196.14236	0.8
197.09102	0.8
198.08752	0.9
199.07123	1.3
199.10797	1.5
213.03883	3.1
216.09630	1.1
217.07130	1.2
222.12341	1.5
223.05997	1.3
226.08266	1.0
226.11873	1.5
226.15465	0.9
231.04932	7.7
231.12460	4.7
239.15073	0.7
240.13406	3.7
241.07031	2.8
241.13628	0.9
243.15836	2.7
249.06003	5.5
259.08081	7.9
260.15869	1.1
273.16885	0.7
277.09189	1.4
281.28143	0.7
295.10175	6.7
312.15582	1.0
385.17630	0.8
407.17062	1.1
425.17960	1.4
440.24890	5.4
443.18936	3.1
478.22693	7.3
483.17993	0.9
484.18573	0.8
851.03247	0.8
877.01892	0.8
887.92334	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03850	0.4
67.05418	0.7
68.04939	0.5
69.03355	0.6
69.06991	4.3
70.02869	1.3
70.06509	60.4
71.06848	2.4
72.08067	1.4
73.02812	0.3
73.96401	0.2
74.05988	6.2
75.05520	1.6
75.52941	0.2
79.05421	0.3
81.03349	0.4
81.04464	0.5
82.06498	0.6
83.06025	4.3
84.04038	0.6
84.04430	36.0
84.08067	58.7
84.53885	0.3
85.02836	2.5
85.03954	0.4
85.04773	1.6
85.08399	2.8
86.05959	0.4
86.09628	19.4
87.05526	2.0
87.09962	0.6
88.03909	0.6
91.05405	13.5
92.05731	0.6
93.04479	2.6
93.07022	0.3
95.06007	1.3
96.04391	0.7
96.08077	1.2
97.02823	0.6
98.05980	5.3
99.05489	0.3
100.11195	0.6
101.07072	6.3
101.10740	1.2
102.04856	0.5
102.05477	6.7
104.05273	6.2
105.06543	0.4
107.04906	0.7
107.08573	0.3
109.02823	1.2
109.10104	0.3
110.07112	19.6
110.09621	0.4
111.05546	0.6
111.07460	0.6
111.09163	1.7
112.07519	0.6
112.08685	0.7
113.07100	1.7
115.04995	0.5
115.08647	2.2
116.07083	0.4
118.06524	0.4
119.01908	0.4
119.04900	5.9
122.07111	0.6
124.03944	0.6
125.07079	0.6
126.05494	2.7
127.03872	1.9
127.04895	0.6
127.08630	3.2
129.06549	1.6
129.10202	33.6
130.04962	10.3
130.10545	3.0
131.08170	1.2
135.11703	0.3
136.07555	27.2
137.07042	0.4
137.07925	2.4
137.10799	0.4
139.05038	0.3
139.08647	2.1
141.06610	2.6
141.10205	2.6
143.97095	0.3
145.04950	0.3
145.06042	0.4
146.06305	1.9
147.07623	8.5
148.07823	0.5
150.06674	0.4
152.14278	0.3
153.06606	1.7
155.08136	2.4
155.09245	0.4
157.09564	0.4
159.07632	2.3
161.02924	0.3
165.07848	0.3
167.08107	0.5
167.11752	0.7
168.10068	0.3
169.06065	0.7
169.09729	1.1
169.13350	1.5
170.09276	0.3
171.07666	0.6
171.11263	0.4
172.10760	0.3
173.03021	0.4
177.10229	0.4
178.61212	0.3
180.11273	0.4
181.06131	1.4
181.09715	1.4
185.04173	0.5
185.05602	0.4
185.09091	0.5
187.07191	0.6
189.08791	0.4
191.11789	0.4
193.09697	0.4
194.09360	0.3
195.08788	1.5
195.11238	2.1
197.12871	0.4
198.08705	1.1
199.07219	1.4
199.10785	0.6
201.03683	1.3
201.12349	0.5
205.09734	0.6
209.09166	1.1
216.09729	0.4
217.08197	0.4
221.09183	0.4
222.12387	1.7
223.10716	0.6
224.10190	0.5
226.11884	1.8
227.05128	0.6
227.11475	0.4
231.12366	3.0
235.12935	0.4
238.08112	0.5
239.15013	0.5
240.13321	3.0
241.13794	0.4
245.06387	1.6
252.10469	0.4
255.10886	1.4
260.16058	1.3
268.12982	0.4
271.04047	2.2
275.07269	0.5
313.16208	1.5
333.07855	24.6
334.08209	1.2
335.09445	1.3
397.18393	2.7
439.19345	4.9
445.20352	100.0
446.20645	4.7
483.18304	54.0
484.18658	2.8
588.91382	0.4
772.23682	0.4
794.28674	0.5
864.89697	0.4
872.61743	0.4
879.03107	0.5
894.29260	0.4
909.59412	0.3
929.20313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.6791
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09832	0.2
64.07642	0.2
64.32892	0.2
67.05418	1.4
69.06971	1.6
70.06509	3.6
71.92311	0.2
73.23988	0.2
81.06961	1.3
82.06503	5.2
83.04901	2.3
83.05321	0.3
83.08542	18.8
83.89532	0.2
84.08072	2.9
85.06470	1.3
86.09604	0.3
91.05407	0.4
93.06947	0.2
95.04906	0.3
96.08051	0.3
98.09615	3.0
100.07555	9.8
100.11191	100.0
101.11524	1.6
106.93978	0.2
110.05996	3.6
111.04395	14.9
112.07549	4.8
112.11167	0.9
117.13871	1.9
117.14558	0.3
119.08590	0.2
126.09108	3.3
127.08661	2.8
128.07043	10.9
129.05441	1.0
129.10194	0.3
135.11797	0.2
136.07483	0.3
139.08649	6.9
140.07054	4.3
147.11662	1.0
154.39391	0.2
164.14331	1.3
166.15855	2.2
168.13828	0.6
175.11053	0.4
182.15378	52.7
183.15776	1.4
192.13753	1.7
196.58658	0.3
209.14392	0.6
209.14946	0.7
209.16464	39.5
210.14870	57.0
211.15166	1.9
226.19136	9.2
227.17497	4.7
227.19447	0.3
228.15904	6.0
245.18645	1.0
253.05176	0.3
308.26987	1.1
309.25317	3.1
326.27966	8.1
327.28116	0.3
335.24454	1.3
336.22751	7.0
337.21091	2.7
343.30682	3.3
344.30978	0.3
417.32498	0.3
434.34875	0.4
435.33185	2.4
436.31631	1.2
452.35757	3.5
453.34476	3.3
471.35928	0.3
534.43781	0.5
552.44800	2.6
569.47504	0.9
678.52539	0.4
778.61859	0.3
887.66754	7.0
888.66522	1.0
905.67810	82.9
906.67963	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	907.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48944	1.4
67.05429	2.3
69.03333	5.7
69.07018	5.5
69.41541	1.4
70.06507	38.1
71.06864	1.4
71.95766	1.5
72.08067	8.0
74.05985	1.8
83.06035	1.8
84.04433	8.0
84.08063	17.0
85.02815	2.8
86.09612	13.7
91.05377	2.1
94.06491	1.7
95.08517	3.2
97.02818	18.2
101.07119	2.0
102.05480	2.1
107.08511	1.8
109.02845	2.3
109.04865	1.5
110.07144	11.9
120.08081	9.7
122.05967	11.0
122.48715	1.5
122.62640	1.6
127.03917	2.6
129.10190	9.0
133.10158	1.5
134.56587	1.6
136.07585	15.9
136.36821	1.8
139.03902	3.6
140.07031	16.7
144.74568	2.2
145.21982	2.0
146.05994	8.7
146.09552	1.7
148.07547	12.4
152.07062	2.5
164.07021	11.3
165.81927	1.8
166.08609	17.1
172.03941	10.4
174.05479	7.0
176.07074	14.9
190.05086	2.8
204.06534	9.8
227.22142	1.6
237.10255	3.9
238.10889	3.9
239.11751	8.7
249.10065	5.9
251.11833	10.3
263.11716	13.6
264.08810	2.1
264.12592	2.3
265.10059	4.9
265.13345	29.8
266.13834	2.0
269.12756	2.5
271.14316	2.5
277.09683	2.3
277.13428	2.3
278.10287	2.1
279.11218	100.0
280.11792	12.6
281.12943	3.3
283.14264	2.5
285.07751	1.9
285.12061	2.4
287.13837	7.9
291.11246	2.8
293.12784	3.2
295.10678	3.6
295.13956	2.2
296.11426	2.6
297.12347	50.9
298.12930	7.6
309.12308	46.1
310.12958	17.3
311.13892	8.2
313.11737	3.9
319.10904	8.2
321.12180	7.7
324.10986	2.9
325.11740	6.8
337.11795	73.2
338.12534	29.1
339.13324	80.4
340.13934	6.6
369.14514	14.1
370.15121	2.0
371.15875	31.4
372.16525	2.9
400.16116	2.2
418.17355	2.0
428.65359	2.0
450.20230	2.1
460.18558	20.3
461.18845	2.4
478.19516	12.7
480.20752	2.0
510.22403	25.9
511.22781	3.0
548.33160	1.8
601.26477	99.0
602.26733	3.9
633.29175	39.9
634.29413	2.1
812.94043	1.9
856.99078	1.8
907.40936	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	907.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05444	14.6
68.99675	1.2
69.03343	6.0
69.06989	12.5
71.01276	19.8
71.04562	1.8
71.04917	34.1
73.02818	5.7
75.04379	9.4
76.14739	1.3
79.05419	11.4
81.06979	33.1
83.04445	1.5
83.04908	30.6
83.05359	2.5
83.08519	10.4
85.02834	81.1
85.03356	3.0
86.03172	1.4
91.05399	8.9
91.72553	1.4
93.06969	27.8
95.00685	1.4
95.01273	31.6
95.08540	73.4
97.02803	2.4
97.10106	2.7
99.04378	1.9
101.02324	40.3
103.03850	2.2
105.06987	27.9
107.08535	45.2
109.10115	38.8
111.04395	23.5
111.08028	7.7
111.11680	1.9
113.02343	2.5
117.06999	2.1
119.08549	34.3
121.10098	40.1
123.11666	17.4
127.03889	69.9
129.05444	11.0
131.08514	7.6
133.10110	32.4
135.11684	26.9
137.02357	1.4
137.13223	6.4
139.11147	1.7
141.01813	54.8
143.08556	3.1
145.04944	33.2
145.10121	22.2
147.06473	2.8
147.11681	24.4
149.13254	18.4
157.10104	8.1
159.02867	7.3
159.11647	27.1
161.13229	25.1
163.14778	12.8
171.11699	3.1
173.13249	11.7
175.14795	25.2
177.16351	16.4
185.13243	5.1
187.14789	17.2
189.16338	19.0
191.17969	7.7
197.13091	1.6
199.14798	7.5
201.16359	26.6
203.17934	22.5
205.15813	5.3
205.19511	3.0
207.17480	2.8
213.16270	3.0
215.17937	10.9
217.15886	2.6
217.19484	20.2
219.17461	1.8
227.17900	9.2
229.19550	10.8
231.21089	1.8
233.18983	1.9
241.19408	3.3
243.21045	5.6
255.20975	2.7
257.22656	7.1
269.06430	1.6
269.22568	8.5
271.24142	1.8
283.24228	1.8
287.07504	1.8
305.08557	5.5
313.25317	1.9
357.84619	1.4
365.31845	6.4
405.35236	19.5
423.36148	100.0
424.36389	7.3
441.36975	3.0
551.83826	1.5
567.40009	2.4
581.38385	10.4
599.39685	2.9
736.14777	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33472	2.9
67.05412	6.7
67.78307	2.9
69.03400	3.6
69.06975	5.8
71.01258	18.0
71.04902	30.7
73.02848	3.1
75.04391	3.9
79.19457	2.8
81.06967	32.7
83.04900	28.0
85.02370	3.1
85.02834	66.7
91.05367	5.8
92.11044	4.0
93.06951	20.1
95.01283	29.7
95.08532	63.0
101.02315	35.1
105.06980	17.9
107.08533	34.6
109.10086	46.5
111.04358	18.5
111.08003	4.4
113.02303	4.6
119.08534	36.6
121.10093	29.2
123.11648	19.4
127.03860	62.5
129.05432	15.0
131.08504	6.2
133.10088	29.9
135.11632	20.7
137.13196	4.5
141.01794	37.7
145.04973	24.7
145.10074	19.1
147.11673	26.7
149.13196	20.0
150.52060	3.3
159.11667	27.2
161.13222	24.8
163.14763	7.4
171.11545	5.2
173.13165	17.9
175.14740	18.1
177.16374	15.4
184.07289	3.3
187.14706	7.5
189.16328	7.5
191.17732	5.6
201.16312	22.8
203.17947	18.2
205.19420	4.6
215.17896	5.7
217.19432	14.1
227.17952	5.4
229.19469	5.2
255.21008	3.3
269.22543	5.3
295.07687	4.2
305.08395	3.6
315.47498	3.5
365.31976	4.2
405.35059	25.6
412.29019	3.4
423.36057	100.0
441.36432	4.4
581.38263	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	909.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19633	0.3
70.06507	3.2
70.90298	0.4
84.04421	0.8
84.08077	0.4
84.95947	2.7
86.09641	0.5
93.06942	0.5
97.02789	0.5
98.97513	10.1
109.02833	0.6
110.07123	1.7
116.07046	0.8
116.98574	13.3
120.08073	1.8
120.97969	0.4
127.03876	5.2
128.04214	0.5
128.98544	2.9
131.00069	1.8
131.00937	0.4
134.99632	13.6
143.00119	2.7
146.99634	4.8
149.01193	2.4
153.00688	3.3
155.00188	0.5
157.01613	0.5
158.99654	4.1
161.01187	6.8
164.98601	2.6
165.00653	0.8
170.99599	3.9
173.01186	3.0
174.99150	1.7
175.02711	1.6
177.00681	9.5
179.02271	2.7
182.99597	19.4
185.01210	2.2
189.00670	8.0
190.95293	1.0
191.02211	1.6
194.99774	1.0
195.01758	2.8
198.99112	0.5
199.55289	0.5
199.99910	2.4
200.02133	0.5
201.00674	100.0
202.01077	1.6
203.02371	3.0
205.05409	0.6
207.01741	3.2
213.00681	3.0
215.02281	1.0
218.00912	0.7
219.01729	48.4
220.02040	0.5
223.06319	5.5
224.02214	2.7
225.00677	3.3
227.02159	0.6
231.01726	2.8
237.00755	1.1
237.02753	26.5
241.07384	2.9
242.00891	0.6
242.03120	0.8
243.01692	8.8
249.00583	0.7
249.02867	0.6
251.02242	1.6
255.01672	3.5
255.03998	1.8
257.03113	0.7
261.02802	6.8
263.13849	0.7
265.07446	3.9
267.01566	3.4
268.02405	0.5
269.03281	2.8
273.02768	2.9
279.01367	0.8
279.04022	0.8
283.08441	13.5
285.02817	5.7
291.04102	0.6
297.02753	2.6
301.09509	1.8
303.03809	4.0
309.02585	3.5
315.03690	2.0
316.98538	1.6
321.04822	1.9
327.03778	6.9
333.04791	1.7
345.04855	2.4
351.03140	7.8
357.04840	3.9
363.04083	2.1
369.04977	2.7
375.05890	2.3
416.38263	0.5
417.06854	1.7
435.07846	0.7
459.08020	8.7
471.08258	0.5
477.08896	1.8
501.09076	19.0
519.09247	0.5
543.10150	3.7
603.12354	9.9
633.11035	1.7
651.12415	4.2
687.40808	0.5
765.15216	1.0
777.16010	3.8
783.17004	4.7
909.19635	8.5
938.84357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05434	25.7
69.06995	8.7
70.06508	56.0
70.65524	5.5
71.01278	32.6
72.08064	12.6
73.02831	10.0
74.24432	5.3
75.67290	6.0
79.05425	5.7
81.07005	43.3
83.08522	8.4
84.04408	6.7
84.08067	50.3
85.02840	47.4
86.09620	37.1
91.03860	13.7
91.05408	26.9
93.06992	27.8
95.01257	31.3
95.08547	100.0
97.02827	14.7
105.06985	43.0
107.08555	61.6
109.10133	58.1
110.07106	7.1
111.68064	5.8
117.33079	6.2
119.08533	49.6
120.08071	9.2
121.10045	50.5
123.11687	23.9
125.00002	10.6
127.03888	6.8
129.10229	11.0
131.08482	6.6
133.10126	42.7
135.11626	42.7
136.07556	10.5
141.01788	82.3
145.04962	6.9
145.10127	10.7
147.11667	32.5
149.13258	32.9
159.02917	6.7
159.11693	27.6
161.13263	32.4
163.14774	8.9
175.14787	23.9
177.16318	14.2
184.07335	39.2
187.14786	10.2
189.16389	25.2
201.16379	11.5
201.68639	5.9
202.64188	6.4
203.17929	33.5
215.17795	7.4
217.19424	7.3
227.18141	7.9
229.19565	9.8
405.35068	25.7
423.36191	94.3
424.36191	9.1
762.90613	7.3
938.30585	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11546	1.1
67.05434	13.0
69.03346	5.3
69.06985	11.3
70.06515	4.9
70.60226	1.1
71.01278	12.7
72.08076	2.3
73.02521	0.9
73.02839	14.4
75.04405	2.2
79.05405	7.6
81.06979	27.7
83.08539	6.4
84.08058	6.7
85.02837	20.0
86.09637	6.0
91.05428	9.5
91.20815	1.3
93.06977	26.0
95.01254	21.0
95.08533	56.8
96.08856	1.8
97.02822	12.5
97.10107	1.5
101.02313	23.6
103.03853	1.6
105.06970	19.8
107.07862	2.2
107.08541	40.9
107.09207	2.3
108.08875	2.7
109.06474	1.3
109.10110	34.5
111.08002	6.1
111.11651	1.7
113.02338	2.5
115.03916	5.1
118.90833	1.4
119.08551	31.3
120.08086	1.7
121.10106	29.6
123.11665	17.0
124.99955	1.3
127.03877	48.2
131.08528	10.0
133.10097	26.2
135.11655	21.0
137.13239	2.4
141.01810	47.6
143.08516	2.7
144.09340	1.2
145.04948	26.8
145.10081	16.2
147.11673	23.1
148.12064	1.4
149.13225	16.7
157.10037	2.6
159.02888	2.6
159.11665	20.5
161.13251	18.2
163.14771	12.6
171.11639	6.2
173.13217	13.2
175.14806	12.6
177.16371	13.3
184.07355	7.2
185.13211	1.9
187.14766	14.7
189.16353	14.3
191.17906	7.8
199.14789	5.8
201.16370	26.0
203.17938	21.5
204.18242	2.1
205.15846	2.8
205.19521	1.7
213.16353	4.6
215.17926	10.7
217.19527	9.5
219.17406	1.5
224.65192	1.4
227.17944	5.5
229.19453	11.5
233.19048	1.4
239.17953	1.4
241.19452	5.0
243.21004	5.8
245.21690	1.2
255.21057	7.9
257.18646	1.3
257.22632	2.8
269.22589	6.7
295.24149	1.5
297.25760	1.5
365.31915	4.9
405.35120	20.8
406.35162	2.1
423.36142	100.0
424.36392	14.8
442.37918	1.5
567.40265	7.9
581.38818	10.1
599.39124	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	911.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56991	0.5
65.03867	2.5
70.06512	4.7
71.06814	0.5
72.08076	0.6
77.03870	0.5
84.04433	1.2
84.08073	2.7
85.02836	0.6
89.03806	0.7
91.05402	41.4
91.67268	0.5
95.04887	0.6
95.26620	0.5
97.02851	0.5
98.18334	0.6
105.03334	0.8
118.04125	0.7
119.04892	60.2
120.05206	1.2
124.09357	0.5
127.03870	4.8
129.10240	0.8
132.01065	0.5
132.02036	3.2
133.02837	0.6
136.07550	1.2
145.02853	1.1
146.03558	0.8
147.04385	57.6
148.04692	1.2
149.02325	2.8
151.03835	1.8
153.01808	14.4
157.03951	3.5
164.04631	2.8
171.02815	2.8
175.03860	79.8
176.04213	2.6
179.06972	7.2
181.04904	12.0
191.08374	0.6
192.04135	3.2
207.06493	100.0
208.06845	3.1
255.06334	0.7
273.07486	7.8
291.03720	0.7
291.21106	0.6
614.15356	0.6
754.69086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03345	2.3
70.06496	2.0
81.03330	2.6
83.31680	0.5
84.08058	0.7
85.02828	3.8
92.10285	0.4
95.04868	0.4
97.02833	11.2
98.28431	0.4
99.04392	3.4
103.03873	4.2
109.02185	0.4
109.02805	3.6
119.04846	0.6
121.06477	0.7
127.03880	100.0
128.04210	0.7
131.04883	0.5
137.05965	3.5
141.05389	0.6
145.04965	1.7
149.05957	2.0
151.03897	21.2
151.05026	2.6
157.06404	0.5
162.06804	0.4
163.05983	0.4
185.05937	0.6
187.06075	0.5
199.07462	0.6
211.07545	0.6
227.07085	0.7
245.08073	0.8
255.06598	0.7
271.08182	0.7
299.09039	4.2
329.10083	0.7
347.11118	0.7
413.12341	1.8
433.13379	4.6
530.48383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05427	16.6
69.03345	7.1
69.06987	13.1
70.06510	77.4
71.01264	12.8
71.06844	2.5
72.08076	22.2
73.02852	13.9
74.05990	3.3
75.04408	10.2
76.55205	1.8
79.05407	11.7
81.06981	35.5
83.04869	2.0
83.06010	2.0
83.08558	7.6
84.04427	13.1
84.08067	46.3
85.02838	24.1
86.09631	34.2
91.05391	20.3
93.04470	2.0
93.06972	33.8
95.01266	19.1
95.08538	73.9
97.02810	14.0
97.10106	3.3
98.05965	2.5
99.00780	2.8
101.07076	3.0
103.03867	3.3
105.06973	32.2
107.08534	46.7
109.02661	1.9
109.10107	46.4
110.07129	21.8
111.08034	3.8
113.02360	2.3
115.03863	2.8
117.06961	2.1
119.04937	3.6
119.08533	36.5
120.08080	29.4
121.08398	1.9
121.10079	32.2
123.11668	19.1
127.03953	5.4
128.40636	1.8
129.10210	21.1
130.06552	1.8
131.03415	2.7
131.08501	11.3
132.38367	1.8
133.10103	32.8
135.11647	25.4
136.07539	16.2
137.13187	3.2
139.08714	1.8
141.01804	41.3
143.11769	2.1
145.04939	2.6
145.10109	20.4
147.11664	26.0
149.13257	18.9
157.10011	3.5
159.02892	2.4
159.11682	26.3
161.13228	23.6
163.14801	13.9
169.13257	1.9
171.11618	8.2
173.13208	16.4
175.14804	14.0
177.16339	16.0
183.14844	1.8
184.07271	3.2
185.13205	3.4
187.14786	10.9
189.16376	16.3
191.18004	7.3
199.14839	8.7
201.16275	18.9
203.17966	24.4
205.15819	7.2
205.19456	2.0
213.16362	2.6
215.17990	9.0
217.19511	11.9
219.17406	2.7
219.20892	2.6
227.17931	9.1
229.19492	11.8
243.21054	7.2
255.20999	7.1
257.22452	7.1
269.22626	3.4
281.22644	2.0
283.24155	2.3
365.31958	7.6
372.03958	2.0
405.35147	20.4
423.36160	100.0
424.36499	4.4
438.86887	2.0
441.37302	1.9
581.37756	7.8
599.39178	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	911.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42043	1.1
67.05426	12.6
68.94910	1.1
69.03345	19.7
69.06995	12.4
70.06498	2.5
71.01263	2.4
71.04550	2.3
71.04906	43.6
73.02836	18.8
75.04381	5.0
76.30916	1.0
79.05398	6.5
81.03344	2.0
81.06572	1.6
81.06973	26.4
83.04902	25.8
83.08534	5.2
84.08079	2.3
85.02830	79.6
86.09605	2.3
86.34716	1.4
87.04382	2.0
91.05415	7.0
93.06974	26.3
95.01247	26.1
95.04898	2.9
95.08533	59.3
97.02826	26.2
97.06462	6.0
97.10088	1.7
99.00764	2.4
99.04365	2.3
101.02293	2.7
101.06007	1.6
102.34611	1.3
103.03904	4.2
105.06970	21.1
107.08536	34.9
109.02836	1.6
109.06457	1.7
109.10107	31.7
111.04395	13.4
111.08031	9.7
113.02293	2.9
115.03881	11.6
117.06957	2.9
119.08535	34.2
120.08115	1.5
121.10098	29.4
123.11666	11.6
125.09595	1.9
127.03844	3.1
129.05435	17.3
131.08546	15.5
133.04866	1.6
133.10078	27.4
134.10379	1.4
135.11649	20.7
137.13263	2.6
139.03853	1.9
139.11162	13.7
141.01805	53.5
143.08533	5.8
145.10072	19.8
147.06497	5.5
147.11700	17.7
149.13217	25.7
151.11186	1.6
157.10092	9.5
158.10791	1.3
159.02818	7.3
159.11649	27.9
161.13217	26.0
163.11156	5.7
163.14705	10.2
165.12708	5.0
169.10069	1.7
171.11636	7.8
173.13223	16.2
175.14783	16.6
177.03888	2.0
177.12706	2.0
177.16356	10.2
183.11604	2.4
184.07271	1.7
185.13225	7.2
187.14780	11.6
188.15169	1.3
189.16376	9.7
191.14256	2.9
193.15855	2.9
195.17429	3.0
197.13171	1.9
199.14804	12.9
201.16342	23.1
203.14328	2.4
203.17912	8.9
205.15857	7.2
207.17407	5.8
211.14853	1.6
213.16373	7.1
215.17867	12.5
217.16051	1.4
217.19417	2.8
219.17403	13.3
220.17734	1.4
225.07555	1.7
227.18008	11.9
229.19395	2.0
231.17371	5.0
233.18924	3.0
237.57370	1.3
241.19426	2.7
243.08495	1.9
243.20969	2.3
245.18974	22.4
253.19377	1.5
255.20880	2.8
258.69113	1.2
259.20505	2.3
269.22464	2.0
271.20416	2.4
273.22028	7.9
281.22443	1.8
283.20468	1.4
285.22107	5.8
292.55109	1.4
295.24182	1.6
299.23608	5.7
305.08539	2.0
322.80753	1.3
327.26514	1.6
381.31384	10.1
403.33374	2.6
409.34491	2.2
421.34564	46.4
422.34848	5.8
439.35614	100.0
440.36105	11.3
444.23798	1.4
457.36374	2.7
526.71295	1.5
597.37897	17.1
598.38165	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	912.535
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88181	1.6
67.05427	43.2
69.06969	13.8
78.95405	1.9
79.05408	9.4
81.06976	34.2
83.08535	11.6
86.09615	4.7
91.05411	4.8
91.91747	2.0
93.06958	9.6
95.08525	27.4
97.10146	3.2
98.98401	17.0
104.10658	2.4
105.06939	3.5
109.10104	9.9
118.77482	1.8
119.08508	2.7
121.10099	4.2
123.11644	3.4
146.51074	2.0
155.00987	3.6
184.07317	4.6
263.23575	2.7
306.27750	13.6
337.27280	100.0
338.27570	4.8
417.23999	3.7
460.28180	39.0
478.29187	63.3
616.04303	2.4
688.95294	2.2
701.09888	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	913.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05424	16.1
69.03358	15.2
69.06984	6.7
70.06517	100.0
71.01276	3.7
71.04918	40.9
71.06845	4.4
72.08064	22.8
72.34653	2.9
73.02821	16.3
77.69869	3.3
79.05398	14.2
81.06972	34.5
83.04906	17.1
83.08502	3.8
84.04420	16.4
84.08075	40.7
85.02831	67.5
86.09625	32.5
91.05411	14.1
93.06981	27.3
95.01234	23.8
95.08533	72.5
97.02825	16.5
105.06965	25.9
107.08554	38.0
109.10108	50.0
110.07155	26.3
111.04399	12.6
111.08061	6.7
115.03890	3.4
119.08562	30.2
120.08082	28.8
121.10088	33.4
123.11649	14.7
123.58614	3.8
127.57475	3.4
129.05481	4.4
129.06644	3.5
129.10196	21.3
131.08498	5.7
133.10149	29.6
135.11676	25.4
136.07544	15.3
137.13202	5.2
141.01820	46.8
143.08531	3.6
145.10172	13.2
147.11668	28.1
149.13225	21.7
159.02937	3.6
159.11685	17.1
161.13255	24.3
163.14799	21.0
171.11583	6.6
173.11903	3.9
173.13269	18.5
175.14774	15.9
177.16344	7.7
184.07263	4.3
187.14720	12.7
189.16344	13.7
201.16373	15.2
203.17929	24.7
205.15904	5.1
215.17891	4.2
215.94276	3.5
216.25587	3.8
217.19518	13.5
219.17471	5.1
227.17990	4.4
229.19504	6.2
247.20645	4.9
336.12491	4.1
405.34930	7.7
423.36111	68.9
438.26944	3.5
441.37180	31.9
599.39117	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	913.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05425	16.7
69.03008	1.2
69.03346	21.3
69.06988	13.4
70.06466	0.6
71.01276	6.0
71.04910	56.0
73.02829	21.1
73.13063	0.8
75.04384	5.8
75.84203	0.6
79.05413	13.7
81.03329	1.2
81.06514	1.6
81.06975	41.7
83.01232	0.8
83.04441	1.3
83.04902	25.6
83.08536	7.1
83.70969	0.6
85.02826	100.0
86.03154	0.7
87.04374	3.2
89.84469	0.6
91.04987	0.7
91.05412	10.0
93.06972	30.6
95.01258	30.7
95.04879	6.2
95.08530	91.4
96.08851	1.2
96.61531	0.8
97.02814	28.3
97.06451	1.6
97.10094	5.0
98.69756	0.7
99.00742	4.3
99.04360	3.5
101.02309	1.4
101.05925	1.3
103.03858	5.7
105.06979	31.5
106.07288	0.7
107.08538	56.6
109.02826	1.1
109.06445	1.5
109.10104	62.7
111.04380	15.4
111.08027	14.6
111.11676	2.9
113.02303	6.7
113.05923	0.9
113.09550	0.9
115.03158	1.2
115.03875	14.3
117.05405	0.8
117.06937	1.7
119.08537	45.3
120.08791	1.0
121.10094	46.7
123.00671	0.9
123.04390	1.0
123.08032	1.3
123.11660	21.8
125.09563	3.3
127.03883	3.3
129.05428	16.3
131.03336	1.0
131.08528	11.2
133.04904	3.9
133.10092	44.3
134.10440	1.0
135.11647	34.5
135.12674	1.5
137.09566	1.4
137.13231	5.2
139.03851	4.7
139.11185	5.6
141.01802	76.2
142.02188	0.8
143.08537	2.8
145.04922	0.9
145.10097	20.0
147.06505	7.1
147.11658	35.4
148.11977	0.9
149.13223	26.4
151.03911	0.9
151.11108	1.6
151.14803	1.3
153.12625	0.8
157.04932	1.3
157.10098	6.3
158.10988	0.8
159.02840	11.9
159.11655	24.5
160.12149	1.0
161.13223	34.8
163.03915	0.7
163.11169	2.8
163.14774	25.9
165.07350	0.8
165.12675	4.8
166.55667	0.7
169.04869	1.0
171.06577	0.7
171.11662	5.0
173.13214	16.9
174.13934	0.7
175.14790	27.8
177.03899	1.6
177.12627	1.2
177.16357	19.3
178.23181	0.7
179.17944	1.0
183.11681	1.3
185.13187	4.9
187.14771	17.2
189.16335	22.3
190.16757	1.0
191.14162	1.1
191.17897	10.7
193.15834	3.6
195.17427	6.2
197.13269	1.1
199.14812	3.4
201.16336	17.3
203.17909	36.7
205.15878	7.3
205.19540	5.3
207.17378	7.6
207.36928	0.8
211.14844	0.7
213.04021	0.8
213.16414	5.3
215.17909	18.9
217.16022	2.6
217.19475	16.4
219.17410	11.0
219.20819	0.7
221.18941	6.7
225.07530	4.4
227.17860	6.3
229.19476	20.8
231.17490	1.5
231.21063	3.0
233.18929	7.6
239.17819	1.0
241.19423	3.1
243.08562	3.2
243.21042	8.1
245.18860	1.8
247.20540	9.8
255.21040	6.1
257.22595	7.3
259.20547	1.3
267.21072	1.0
269.22495	4.9
271.23984	0.8
273.22076	2.9
275.23560	1.6
279.10641	5.8
281.22433	1.2
283.24084	1.7
285.22195	1.2
285.25562	1.1
287.07550	1.3
287.23575	1.2
297.25623	1.6
299.23605	0.9
301.25098	1.3
305.08563	5.8
309.25671	1.2
311.27225	2.6
313.25302	1.8
315.26678	3.2
323.09445	1.1
327.26532	1.2
329.28424	2.5
365.31870	3.9
383.32870	3.9
405.35104	13.9
406.22577	0.8
411.36102	1.2
423.36136	86.8
424.36163	5.5
441.37167	92.5
442.37393	6.3
573.48834	0.8
581.38531	6.1
599.30505	1.2
599.39362	23.0
600.39691	1.8
617.40302	1.6
648.11713	0.8
704.28821	0.9
796.31116	0.8
917.70428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.516
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05435	14.8
69.03363	19.3
69.06993	11.7
70.06506	31.8
70.06874	2.2
71.01245	2.8
71.04910	41.6
72.08069	3.6
73.02839	20.2
75.04403	2.5
79.05406	12.6
81.03323	2.0
81.06974	35.8
82.07336	1.9
83.04903	21.4
83.08549	12.0
84.04433	3.9
84.07618	1.9
84.08049	14.3
85.02833	100.0
85.38007	1.9
86.09628	9.4
91.05412	11.0
92.10300	2.7
93.06977	27.2
95.01260	30.2
95.04896	4.4
95.07960	4.2
95.08538	82.9
97.02826	27.8
97.10132	2.2
99.00764	3.2
103.03889	4.9
105.06965	29.1
107.07869	3.2
107.08546	53.5
107.09277	2.3
109.02847	4.6
109.10123	58.8
110.03118	2.0
110.07130	3.5
111.04395	13.5
111.08039	10.3
113.02336	2.3
115.03876	10.9
119.08537	40.9
120.08073	3.4
121.10094	42.9
123.07986	2.4
123.11639	16.5
127.03886	9.2
129.05438	14.8
129.10240	8.0
131.08553	9.2
133.10094	35.2
135.11659	23.3
136.07573	2.4
137.13281	4.4
139.11142	3.7
141.01807	67.9
143.08569	4.1
145.10095	19.9
147.06506	2.3
147.11681	28.3
149.13232	22.3
151.11212	2.2
157.10075	2.8
159.02873	12.0
159.11687	24.8
161.13205	29.2
163.14772	19.7
171.11595	3.2
173.13249	13.3
175.14796	22.1
177.16360	14.4
185.13281	2.7
187.14818	11.3
189.16382	19.6
191.17975	8.9
193.15842	2.5
195.17392	3.1
201.16383	15.9
203.17940	29.5
205.15799	4.2
205.19377	2.4
207.17482	3.0
213.16360	2.9
215.17984	13.4
217.19545	14.4
219.17448	4.0
225.16289	2.1
227.17976	3.7
229.19386	15.9
233.19034	4.0
243.21063	3.2
245.19049	2.7
247.20619	9.7
255.06377	2.6
255.21111	2.4
271.24310	2.6
365.32120	3.5
383.33218	4.2
405.35049	9.2
423.36139	71.2
424.36801	3.7
441.37216	78.9
442.37762	3.8
581.37744	3.7
584.04120	2.0
599.39819	15.9
778.00690	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	915.47
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05429	2.2
69.06975	0.5
70.06510	1.1
71.01302	0.5
71.39428	0.5
72.08083	0.6
73.02843	0.5
74.48021	0.5
79.05438	0.9
81.06992	2.8
84.08078	2.1
85.02861	0.7
86.09626	1.0
91.05421	0.9
93.07002	3.1
93.59777	0.5
95.08527	5.1
101.02335	1.1
102.32269	0.5
105.06998	2.6
107.08527	3.8
109.10139	3.4
110.07160	0.5
119.01081	2.5
119.08546	3.8
121.10130	2.7
123.11679	0.7
127.03871	7.1
129.10239	0.6
133.10112	3.1
137.02078	4.6
145.04965	0.6
145.10112	0.8
147.11707	2.2
149.13400	0.7
155.03203	1.2
159.11693	2.0
161.13281	2.5
163.00032	6.4
167.03214	0.6
173.13213	0.8
175.14786	2.0
177.16484	0.6
181.01077	6.1
187.14761	0.9
189.00632	0.5
199.02232	3.0
203.18022	0.7
217.03142	3.7
239.05237	18.7
251.05331	2.7
257.06503	0.7
269.06375	3.1
295.04330	1.0
303.06668	0.6
313.05322	13.0
331.06311	29.1
349.07361	1.8
373.39526	0.6
423.36038	0.8
463.35434	0.8
513.75421	0.6
607.39935	2.3
823.52698	0.6
915.46942	100.0
916.47449	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	915.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03833	1.2
67.05431	21.0
69.03350	29.3
69.06987	21.9
70.06511	45.7
71.01256	6.0
71.06869	1.2
71.08569	1.3
72.08072	1.9
73.02828	51.7
74.05987	5.3
79.05399	15.9
81.03337	5.3
81.06978	52.3
83.04911	2.3
83.06034	3.2
83.08533	12.8
84.04437	15.4
84.08073	37.7
85.02341	2.1
85.02829	45.9
85.08401	1.6
86.09617	11.1
87.04387	1.5
91.05405	19.3
93.06977	46.3
95.01262	45.9
95.04863	2.8
95.08536	97.6
97.02824	45.2
97.06455	2.2
97.10101	5.2
99.00753	6.6
99.08018	1.9
101.02315	1.8
101.07111	1.7
102.05460	1.6
103.03878	6.0
103.05429	1.5
105.06972	41.2
107.04874	1.5
107.08536	67.5
109.02848	1.6
109.06477	6.3
109.10105	62.1
110.07124	16.3
111.08044	19.0
112.08646	1.7
113.02318	7.1
115.03881	20.5
117.06950	1.7
119.08537	59.3
120.08038	7.3
121.06390	1.3
121.10094	59.2
121.10930	2.8
121.63608	1.3
121.67917	1.2
123.00738	2.2
123.08021	3.0
123.11668	20.0
125.09583	6.2
126.05561	1.4
127.03900	5.4
129.10204	16.2
131.03381	5.2
131.08508	21.2
133.04926	8.4
133.10097	59.4
135.11650	42.9
136.07527	6.2
136.08531	1.2
137.09581	6.4
137.13240	6.8
139.11166	5.6
141.01808	100.0
141.06778	2.1
142.07756	1.6
143.08549	10.2
145.10098	41.9
147.04414	1.5
147.11665	45.6
147.12769	2.0
149.09599	1.7
149.12085	1.6
149.13231	37.1
151.11150	6.0
151.14763	1.7
157.10098	20.5
159.02882	10.4
159.11649	46.2
161.13229	35.3
163.11142	3.1
163.14798	14.7
165.12871	1.8
169.10107	7.8
171.11639	15.2
173.09251	3.0
173.13219	23.9
175.11147	2.1
175.14799	24.9
177.16370	16.4
181.04883	1.7
183.11662	8.7
183.14854	1.4
185.13271	14.1
187.14775	18.8
189.12688	2.3
189.16315	21.6
191.14417	1.9
191.17941	6.7
193.15814	1.7
195.11600	2.5
195.17349	1.7
195.77524	1.3
197.13150	9.5
199.14812	18.8
201.16368	34.8
203.17902	19.1
205.15927	11.6
207.11497	2.0
207.17448	7.0
211.14803	5.6
213.16299	9.3
215.17952	16.2
217.15863	5.6
217.19545	8.6
219.05078	1.5
219.17406	19.2
221.18950	1.8
223.14859	2.3
225.16333	5.8
227.17960	10.5
229.19472	2.8
231.17378	5.0
233.18921	5.0
239.17947	6.0
241.19426	7.5
243.21101	2.0
245.19040	11.1
251.17947	1.7
253.19443	7.2
255.06497	2.9
255.20952	5.6
257.19067	3.1
265.19449	2.3
267.21024	5.9
269.18781	1.4
269.22604	5.6
273.21967	5.4
285.22079	3.0
307.23877	1.6
309.26089	1.4
311.27386	1.6
313.25360	2.1
323.51984	1.6
335.27274	1.9
363.30310	2.1
381.31485	8.6
403.33441	12.2
409.34512	3.3
421.34558	88.8
422.34958	2.5
423.36041	6.3
439.35617	91.9
440.35730	5.7
457.36639	20.1
477.33347	1.5
553.38226	5.6
571.39526	7.6
579.36646	5.3
597.37628	11.5
611.62195	1.4
615.38702	5.5
629.90491	1.5
855.41675	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03873	2.3
69.06971	2.7
83.04899	58.9
83.08537	2.0
85.05311	1.3
86.09635	3.5
91.05378	7.4
93.06998	1.6
98.98401	3.3
105.06974	7.1
115.05418	1.5
119.08496	2.2
132.09329	2.2
133.50746	1.3
141.06984	12.5
147.07982	1.6
147.11662	38.0
151.01491	8.7
153.85054	1.6
158.81708	1.4
159.08066	6.9
161.13179	2.4
163.01482	2.2
169.07527	2.4
175.01526	10.1
184.07274	2.4
185.13217	1.4
210.13901	1.3
227.04622	6.5
239.04532	10.7
248.10527	1.6
260.99121	1.8
282.27875	10.4
295.10855	2.8
336.98300	3.0
337.02274	73.7
393.08606	28.8
413.05725	2.5
457.64767	1.4
469.11679	16.1
525.17999	30.1
581.24115	55.1
582.23755	2.4
637.30420	100.0
638.30444	7.4
801.49969	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32880	0.8
67.05430	10.6
69.03336	1.3
69.06984	11.4
71.01267	16.2
72.10484	0.6
73.02831	9.2
75.04368	3.7
79.05421	6.3
81.03332	1.3
81.06972	28.8
83.01285	1.0
83.08518	6.4
85.02824	42.7
87.03693	0.6
88.26827	0.7
91.03875	13.1
91.05390	8.4
93.06968	25.4
95.01248	28.2
95.04903	1.5
95.08528	60.8
97.02816	14.7
97.10080	5.5
99.00749	2.9
99.04360	2.8
101.02313	34.4
103.03873	1.6
105.06972	23.9
107.08536	38.5
109.02807	0.8
109.06442	0.7
109.10107	37.9
111.08027	6.9
111.11678	3.0
113.02306	4.0
117.06924	3.0
119.08525	34.5
119.82410	0.6
121.09209	0.9
121.10098	28.4
122.10358	0.8
123.00685	0.8
123.11659	13.4
127.03871	76.4
128.04152	0.7
131.03354	3.0
131.08537	9.1
133.10091	30.9
135.11649	19.8
137.13240	5.5
139.11185	0.7
141.01797	56.2
143.08536	3.5
145.04933	35.4
145.10091	16.1
147.11664	21.8
148.12071	0.8
149.13228	18.3
151.11104	0.8
155.08565	0.9
155.47852	0.8
157.10094	5.9
159.02863	4.9
159.11665	21.1
161.13205	21.4
161.14455	1.2
163.05943	6.2
163.14796	10.6
165.12729	1.0
169.10054	0.6
171.11641	4.8
172.12459	0.8
173.13231	12.5
175.14796	16.3
177.03899	1.5
177.16365	14.8
179.17929	1.3
183.15312	0.7
185.13200	5.6
187.14778	11.6
189.16328	15.9
189.17915	1.2
191.17952	6.1
193.15878	1.6
197.13213	1.0
199.14743	4.4
201.16345	26.0
203.17929	21.9
204.18300	0.9
205.15852	3.5
205.19475	3.9
207.17441	3.1
211.14781	0.8
213.16342	4.7
215.17914	11.8
217.15828	3.3
217.19450	14.5
219.17404	3.4
219.20944	1.2
225.16359	0.9
227.17923	6.0
229.19464	10.4
231.21040	2.6
233.18884	1.2
236.77997	0.7
239.17982	1.4
241.19421	3.2
243.20967	5.5
245.18903	1.0
253.19495	1.1
255.21019	4.2
257.22690	5.1
259.20456	0.7
267.21164	1.0
268.59509	0.8
269.22586	5.2
271.24045	1.4
272.13760	0.7
283.24139	1.6
295.24219	0.8
297.25711	2.6
313.25266	0.9
363.30069	1.0
365.32071	7.5
405.35046	24.9
406.35263	4.5
423.36105	100.0
424.36472	10.6
441.37103	3.8
537.38800	0.7
549.39844	1.4
567.39984	1.5
581.38330	8.7
582.38708	0.8
593.00256	0.9
599.30225	1.2
599.39172	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	923.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05432	9.5
69.03350	3.4
69.06992	9.6
71.01273	13.5
71.08595	0.5
73.02831	7.5
75.04399	4.9
79.05396	6.6
81.03342	0.9
81.06976	23.3
83.01292	0.6
83.08553	4.8
85.02830	42.3
91.03883	13.1
91.05415	6.7
93.06973	21.8
95.01257	25.3
95.04943	1.5
95.08535	51.5
96.08859	0.8
97.02824	13.1
97.10097	4.6
99.00753	2.1
99.04391	3.0
99.08001	0.5
101.01644	1.0
101.02317	32.2
103.03883	2.6
105.06979	21.5
107.08543	33.4
109.02805	0.9
109.06496	2.1
109.10110	35.6
111.08027	6.5
111.11665	2.4
113.02326	3.8
117.06966	2.0
118.09509	0.4
119.08543	26.4
121.10103	27.6
123.00738	0.6
123.11655	14.2
127.03876	65.2
128.04231	0.7
131.03384	2.1
131.08534	8.2
133.10101	27.9
134.10423	0.6
135.11665	19.8
137.13277	4.4
139.11197	1.0
141.01807	55.6
142.02168	0.8
143.08524	3.6
144.09268	0.6
145.04941	37.4
145.10091	13.5
146.05377	0.5
147.11662	21.5
147.12761	0.9
149.13237	14.7
151.11168	1.8
151.14777	0.6
156.09399	0.5
157.10077	6.2
158.10895	0.4
159.02834	5.3
159.11668	19.5
160.12170	0.4
161.13235	19.2
163.05981	7.4
163.14752	10.4
165.12718	0.8
169.10101	0.8
171.11624	4.4
173.13234	12.4
174.13846	0.4
175.14787	13.7
177.03922	1.0
177.12801	0.5
177.16344	12.5
179.17969	2.4
185.13210	4.1
187.14781	11.8
189.16353	13.9
191.14320	0.7
191.17912	6.7
193.15855	0.7
197.13306	1.0
199.14760	5.0
200.15199	0.5
201.16359	24.7
201.18167	1.0
202.16803	0.5
203.17923	21.1
204.18323	0.5
205.15796	4.8
205.19467	3.4
207.17426	2.2
211.14766	0.9
213.16348	5.3
215.17886	9.2
217.16010	3.6
217.19472	14.1
217.21420	0.7
218.19666	0.7
219.17500	2.0
219.21039	0.7
221.18971	0.6
225.16370	1.0
227.17888	7.1
229.19473	8.3
231.17392	2.0
231.21104	2.3
233.18985	1.1
239.18005	1.0
241.19530	4.2
243.21062	5.2
245.19084	1.7
245.22649	0.9
253.19554	1.7
255.21072	5.3
257.22577	5.1
267.21118	0.9
269.22604	5.5
271.20633	0.7
271.24155	1.8
275.54532	0.5
281.22607	0.9
283.24207	2.6
285.22327	1.6
295.24210	1.9
297.25775	2.5
309.25693	0.7
311.27109	0.7
313.25308	1.1
314.35217	0.5
365.32022	6.9
393.35190	0.6
402.52774	0.6
405.35080	25.0
405.40427	1.0
406.35431	1.8
423.36142	100.0
424.36496	7.8
441.37146	2.8
535.29211	0.5
549.39392	1.7
567.40527	3.8
581.38251	8.5
594.73511	0.5
599.39282	7.1
725.42438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03873	0.6
67.05428	3.6
68.04938	0.8
69.03351	0.8
69.06989	5.3
70.02876	4.0
70.06511	71.9
71.01270	2.5
71.06839	3.3
72.08072	46.2
73.02834	1.9
73.08413	1.7
74.02345	0.4
74.05996	6.3
75.04399	0.4
79.05404	1.4
81.03323	0.5
81.06977	8.9
82.02856	0.3
82.06494	1.9
83.06024	4.0
83.08543	2.0
84.04433	16.1
84.04941	0.7
84.08070	100.0
85.02829	10.0
85.03947	1.5
85.04771	0.5
85.08401	4.8
86.09629	39.4
87.05522	11.6
87.05974	0.3
87.09975	1.8
88.03914	5.8
88.05846	0.3
89.07047	0.4
91.03877	3.8
91.05408	17.2
92.05739	0.7
93.04456	2.0
93.06978	7.0
95.01248	3.0
95.04886	0.4
95.06028	0.8
95.08533	15.2
96.04411	0.6
96.08095	1.2
96.08853	0.6
97.02827	3.8
97.07585	0.5
97.10087	1.6
98.02335	1.2
98.05992	0.6
98.09643	2.4
99.00786	0.3
99.05512	1.9
99.09153	0.4
100.07572	0.5
101.02324	5.8
101.07079	4.2
101.10718	1.5
102.05489	8.0
103.05384	3.5
105.06982	4.6
107.04884	2.9
107.08546	9.9
108.08837	0.5
109.06422	0.3
109.10102	9.4
110.02371	0.5
110.05970	0.7
110.07121	18.5
110.09649	3.4
111.05503	0.6
111.07422	1.2
111.09162	1.8
111.09904	0.3
111.11678	0.4
112.07539	1.3
112.08658	0.4
112.11201	0.4
113.02358	0.3
113.07093	1.2
113.10711	0.5
114.09169	0.8
115.03857	0.4
115.04991	3.0
115.08675	2.9
115.09329	0.4
117.06942	0.5
119.04906	6.9
119.08544	7.0
120.08064	41.7
121.07637	0.4
121.08411	3.6
121.10104	7.7
122.05978	0.4
123.05491	0.4
123.09147	0.4
123.11684	5.9
124.03917	0.4
125.07110	0.6
127.03870	17.9
127.04985	5.1
127.08637	2.2
129.06544	1.4
129.10207	53.4
130.04984	0.7
130.08572	0.4
130.10600	2.9
131.08507	1.5
132.08002	1.3
133.06053	3.5
133.10086	6.6
134.10501	0.4
135.11662	5.1
136.03897	0.4
136.07561	33.9
136.72812	0.3
137.07915	2.5
137.10744	0.4
137.13243	2.7
138.12733	1.2
139.05002	1.3
139.08633	2.2
140.07002	0.7
140.10648	0.4
140.14264	0.5
141.01810	9.5
141.06569	2.4
141.10213	6.4
142.12300	0.4
143.08212	0.6
143.11774	3.5
145.04955	6.6
145.06075	1.4
145.10095	3.4
146.06108	0.4
147.11668	5.2
148.07552	0.4
149.13248	4.1
151.08635	0.8
152.14325	2.0
153.06514	0.6
153.10281	0.4
155.04486	0.7
155.08150	3.7
155.11765	3.8
156.12198	0.5
157.06096	0.7
157.09686	2.8
157.13327	1.3
158.09557	1.7
159.02820	1.8
159.07593	1.7
159.11589	5.2
160.07509	0.6
161.13242	3.6
163.05994	4.0
163.14772	1.8
165.06590	0.3
165.10239	0.6
166.06024	1.2
167.04446	0.5
167.08105	2.3
167.11748	1.9
168.11292	0.4
169.06001	0.6
169.09689	5.0
169.13365	3.8
171.07565	1.4
171.11404	2.1
171.14882	0.5
172.07141	1.7
173.05544	2.8
173.09171	1.3
173.13095	3.3
175.14767	2.4
176.10608	2.5
177.03889	0.5
177.10245	0.5
177.16399	3.9
178.08572	1.3
181.06085	2.4
181.09546	0.6
181.13318	0.5
182.12871	1.4
183.11201	2.3
183.14742	0.6
184.07262	2.8
185.05537	0.6
185.09192	5.7
185.12888	2.1
186.09082	2.4
186.12381	3.1
187.07156	0.7
187.10812	1.0
187.14655	2.5
189.16351	4.1
191.17923	4.1
193.09647	1.6
194.09167	0.5
195.07582	1.6
195.11223	1.7
197.12866	2.3
197.16441	1.4
198.08595	0.6
199.07036	1.9
199.14795	0.3
200.14052	0.5
201.12305	1.3
201.16376	4.0
203.11853	0.4
203.17886	5.4
205.19456	0.6
207.14967	0.4
210.08740	0.3
211.10675	0.5
211.14470	0.3
212.06648	0.8
212.10268	1.4
213.08698	5.9
213.12277	0.6
213.16328	0.8
215.13863	0.7
215.17984	2.5
217.08131	2.0
217.19481	3.1
218.19734	0.5
219.14903	0.4
221.09181	0.3
221.12849	5.6
222.12358	0.7
223.10793	3.0
224.17456	0.8
226.11818	0.7
226.15486	0.6
227.06514	1.3
227.17838	0.7
228.13405	1.4
229.19452	2.7
230.07617	2.8
230.15059	0.4
231.11250	0.7
231.14880	0.8
231.21046	1.2
233.09200	0.5
238.11771	0.7
240.13330	1.7
241.11661	0.4
241.19460	0.5
243.21001	1.4
244.09380	0.5
245.07532	1.2
249.12253	2.3
251.10185	1.5
252.13364	2.0
255.20973	1.4
257.22488	2.0
268.16476	0.6
269.08585	0.4
269.22556	2.3
270.10809	0.3
270.14328	2.0
271.24118	0.6
273.15289	0.4
287.09802	0.6
290.47412	0.3
296.12375	0.7
297.12131	0.4
297.25793	0.4
298.13873	0.7
304.16574	0.4
314.13394	0.7
316.11520	0.4
320.12527	0.6
354.17572	0.5
372.18408	1.4
387.20059	0.4
406.35278	0.5
407.36664	24.0
408.36743	2.4
423.36041	2.5
424.36295	1.6
492.57983	0.4
615.32465	0.4
889.33698	0.5
939.46643	0.5
941.49921	0.4
941.91315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.7014
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03868	0.5
67.05433	1.3
68.04951	1.0
69.04468	0.2
69.06994	2.3
70.02875	4.5
70.06516	75.3
71.06235	0.2
71.06841	3.2
72.04440	0.3
72.08074	52.3
73.03979	0.2
73.08411	1.8
74.02355	1.1
74.05994	5.6
75.04411	0.2
75.05551	0.2
76.02129	0.2
80.04938	0.3
81.04472	0.3
81.06994	0.2
82.02891	0.3
82.05253	0.2
82.06503	2.2
83.04933	0.2
83.06027	3.5
84.04015	0.3
84.04436	18.4
84.08071	100.0
85.02838	0.8
85.03948	1.4
85.04774	0.8
85.06464	0.2
85.07833	0.2
85.08401	5.6
86.06010	0.3
86.09632	40.4
87.05522	11.4
87.09467	0.2
87.09962	2.3
88.03919	6.9
88.05830	0.2
89.07087	0.3
89.68179	0.1
91.05412	15.4
92.05752	1.5
93.04454	2.5
93.06987	1.1
94.05279	0.2
94.06522	0.6
95.04915	0.6
95.06034	1.1
95.08541	0.2
96.04432	0.8
96.08060	1.6
97.03963	0.2
97.06485	0.2
97.07578	0.3
98.02338	1.3
98.05997	0.8
98.09629	2.4
99.05518	2.4
100.03928	0.1
100.07558	0.8
101.07084	4.9
101.07749	0.2
101.10729	1.8
102.05480	7.6
102.07436	0.2
103.05386	3.3
104.05733	0.2
105.06977	0.7
106.06641	0.1
107.04907	2.8
108.04457	0.2
108.05219	0.2
108.08077	0.6
109.04008	0.2
109.06430	0.3
110.02377	0.8
110.05961	0.9
110.07123	20.2
110.09621	3.3
111.05516	0.8
111.07458	1.2
111.09161	1.9
112.03928	0.6
112.07556	1.3
112.08675	0.7
112.11171	1.0
113.03456	0.2
113.07097	1.2
113.10725	0.3
114.05481	0.6
114.09142	0.9
115.05004	3.6
115.08661	2.4
116.03420	0.6
116.07040	0.3
118.06499	0.7
119.04904	7.2
119.07285	0.2
120.05270	0.7
120.08069	48.1
121.03997	0.2
121.06477	0.5
121.07584	0.3
121.08400	4.4
122.05993	0.6
122.07044	0.2
123.05551	0.3
123.09158	0.3
124.03910	0.4
124.07563	0.6
124.11223	0.2
125.07088	1.3
125.10735	0.2
126.05477	0.6
126.09121	0.6
126.12765	0.1
127.05004	4.5
127.05859	0.2
127.08656	2.7
127.12286	0.6
128.07054	0.7
128.10692	0.7
129.06523	2.2
129.10210	60.3
130.04973	1.7
130.06477	0.3
130.08583	0.6
130.10587	4.1
131.08145	0.6
132.08093	1.2
133.06050	3.3
134.09677	0.2
134.81485	0.1
135.06760	0.2
135.80116	0.1
136.03943	0.9
136.07565	41.1
137.07059	0.4
137.07921	3.5
137.10713	0.3
138.05527	0.3
138.06595	0.3
138.09126	0.6
138.10146	0.1
138.12752	1.1
139.05008	1.3
139.08644	2.2
139.12292	0.2
140.07086	1.4
140.09041	0.2
140.10718	0.3
140.14331	0.3
141.06552	2.1
141.10211	7.4
142.06967	0.2
142.10556	0.3
142.12268	0.6
143.04495	0.3
143.08189	1.1
143.11772	3.9
144.06564	0.9
144.07610	0.2
145.06090	1.5
146.06039	0.8
146.09663	0.3
147.04405	0.3
148.07576	0.3
148.08655	0.2
149.10745	0.2
150.05566	0.2
150.09108	0.2
151.05095	0.2
151.08640	1.0
152.03378	0.1
152.07054	0.3
152.08150	0.2
152.10693	0.6
152.14320	2.1
153.06598	1.5
153.10182	1.4
154.04953	0.3
154.09770	0.2
154.15884	0.2
155.04482	1.2
155.08157	3.8
155.09244	0.4
155.11786	5.3
156.07654	0.2
156.10243	0.3
156.12202	0.3
157.06084	1.4
157.09703	3.1
157.13339	2.1
158.09605	1.8
159.07655	2.4
159.11253	3.8
160.07487	1.0
160.11411	0.3
161.09195	0.2
162.09122	0.3
163.04918	0.2
163.08609	0.3
164.08215	0.3
165.06601	0.2
165.10254	0.9
165.13911	0.2
166.06093	0.8
166.08534	0.2
166.09769	0.2
167.04520	1.0
167.08128	2.7
167.11783	1.8
168.06416	0.2
168.10165	0.5
168.11357	0.3
169.06088	0.7
169.09709	5.5
169.13335	4.8
170.10164	0.4
170.13658	0.2
171.07620	1.5
171.11276	1.7
171.14865	0.5
172.05919	0.2
172.07199	1.5
173.05571	3.0
173.09187	1.8
173.12822	2.0
174.12900	0.7
175.07162	0.2
175.08640	0.2
176.10602	2.5
177.10211	0.7
178.08583	1.1
178.13432	0.6
180.07657	0.2
180.11327	0.9
181.06078	3.2
181.09561	1.3
181.11041	0.3
181.13289	0.2
182.12766	1.2
183.07642	0.9
183.11304	2.4
183.14938	0.8
184.07141	2.2
184.10876	0.7
185.05627	1.2
185.07518	0.3
185.09174	5.3
185.12839	1.6
185.16525	0.3
186.09114	2.0
186.12390	3.0
187.05615	0.2
187.07106	1.3
187.10796	1.4
187.12741	0.3
187.14322	1.6
189.08646	1.1
191.08096	0.2
191.11803	0.5
192.07635	0.7
193.09688	1.3
194.05614	0.2
194.09242	0.5
194.12878	0.3
195.04001	0.2
195.07597	1.1
195.11264	2.0
195.14928	0.7
196.10799	0.3
197.09155	0.2
197.12852	2.7
197.16476	1.5
198.08746	0.8
199.07144	1.8
199.10577	0.2
199.18013	0.3
200.10291	1.0
200.13994	0.7
201.08664	0.8
201.10634	0.2
201.12361	1.4
202.08325	0.6
202.12422	0.3
203.06598	0.7
203.10150	0.2
203.11882	0.7
204.13702	0.2
205.09694	0.6
207.11324	0.7
207.14943	0.8
208.10841	0.3
209.05591	0.8
209.10507	0.3
210.08836	0.2
210.12370	0.3
211.10771	0.8
211.14308	0.2
212.06673	1.0
212.10280	1.3
212.13892	0.6
213.08693	6.4
213.12346	1.0
213.15979	0.2
214.08589	0.3
214.11923	0.3
215.08476	0.2
215.10307	0.3
215.13808	1.0
216.06512	0.3
216.09853	0.2
217.08192	3.4
218.08507	0.2
219.14989	0.3
220.07338	0.2
221.12801	5.1
222.12663	0.8
223.10738	2.9
224.10789	0.2
224.14044	0.3
224.17619	1.4
225.15918	0.3
226.08217	0.8
226.11913	0.7
226.15474	1.6
227.06584	1.6
227.11551	0.2
228.07140	0.1
228.13351	1.4
229.09563	0.3
229.11848	0.7
230.07730	2.3
230.14937	0.2
231.07874	0.2
231.11317	1.3
231.14821	1.3
232.11273	0.5
233.09262	1.0
234.12405	0.2
235.10716	0.3
237.12399	0.2
238.11897	1.6
238.15434	0.2
239.15305	0.2
240.13420	1.8
241.09450	0.2
242.18484	0.3
243.11052	0.3
243.13432	0.6
244.09265	0.2
245.07579	1.1
247.14371	0.7
249.12251	2.6
249.15984	0.9
250.12062	0.6
251.10202	1.4
251.15112	0.3
252.09785	0.2
252.13336	2.5
254.11443	0.2
254.15059	0.2
255.10875	0.2
256.12762	0.6
256.16321	0.2
257.16315	0.2
258.14340	0.3
259.14383	0.2
264.17224	0.3
266.15405	0.2
268.13364	0.2
268.16580	0.9
269.12711	0.3
270.10831	0.7
270.14478	1.3
271.10773	0.2
271.14365	0.2
272.12433	0.2
274.10306	0.2
274.15497	0.2
276.17017	0.2
277.11758	0.7
277.15204	0.2
278.11209	0.2
281.19705	0.6
284.08621	0.2
284.12518	0.3
284.16071	0.6
285.15781	0.3
286.13980	0.3
287.09894	0.8
287.14520	0.2
290.11469	0.2
295.10156	0.2
296.12384	1.7
297.12616	0.4
297.15524	1.2
297.18970	0.3
298.13843	1.2
299.20496	0.2
300.15359	0.2
304.16833	0.7
306.14328	0.2
307.10410	0.2
308.12344	0.2
314.13458	1.2
315.16663	0.3
320.12390	0.9
322.18570	0.2
323.17084	0.2
327.20377	0.2
329.14545	0.2
340.16223	0.2
341.11026	0.2
342.17969	0.2
354.17697	0.8
355.15872	0.2
363.20197	0.2
365.21646	0.2
372.18723	1.5
376.14813	0.3
382.16855	0.2
387.20172	0.8
400.18185	0.6
405.21252	0.3
508.20654	0.4
534.26141	0.2
625.31226	0.2
662.34277	0.2
755.36200	0.1
786.92792	0.2
810.36353	0.2
830.37677	0.2
852.67096	0.2
889.33923	0.2
935.12708	0.2
935.49200	0.2
952.98682	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	925.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03857	0.8
67.05424	15.4
69.03345	5.5
69.06981	10.0
70.06506	6.9
71.01268	2.6
71.04907	47.4
72.08065	2.6
73.02826	9.0
74.29831	0.6
75.04397	4.9
79.05409	6.4
81.03336	1.3
81.06973	29.2
82.07298	1.0
83.01258	0.7
83.04893	14.8
83.08533	5.5
84.04440	1.3
84.08064	4.5
84.11744	0.6
85.02826	85.6
86.03142	0.8
86.09619	3.5
86.83971	0.7
87.04379	1.2
91.03868	4.8
91.04922	0.7
91.05382	7.0
93.06967	25.7
95.01257	26.5
95.04922	0.9
95.08531	71.8
96.08868	0.8
97.02821	12.5
97.06416	1.1
97.10090	1.6
99.00753	2.6
99.04382	1.1
99.55865	0.7
101.02318	1.2
101.05957	0.8
103.03889	3.1
105.06975	18.3
107.08534	39.2
109.02824	5.4
109.06454	1.2
109.10106	56.6
110.07127	1.3
110.10418	0.9
111.04385	8.0
111.08009	7.0
111.11669	2.9
113.02318	4.2
117.06939	1.1
119.08540	33.8
121.10098	35.2
123.00764	0.9
123.11655	15.4
125.66852	0.6
127.03855	6.6
127.94608	0.6
129.05447	12.4
129.06964	1.3
129.10281	0.9
131.03384	1.2
131.08540	7.2
133.10095	48.4
134.10410	1.0
135.04457	0.8
135.11661	26.7
137.13228	4.1
139.11133	2.6
141.01804	57.8
143.08557	3.7
144.09303	0.9
145.02826	0.7
145.04903	2.8
145.10106	16.7
147.06450	6.9
147.11658	25.0
149.05963	0.8
149.13231	14.4
151.11134	0.9
157.10074	5.5
159.02852	7.4
159.11664	21.0
161.13211	17.2
163.05986	4.3
163.14771	9.0
169.10034	1.1
171.11630	5.1
173.04321	0.7
173.13208	11.2
175.14758	9.3
177.03906	0.9
177.16380	10.3
179.17987	0.7
183.11719	1.0
184.07237	1.0
185.13148	4.9
187.10709	0.7
187.14726	12.0
189.16324	12.2
191.17969	6.0
193.15906	0.8
197.13156	0.8
199.14772	4.2
201.16347	13.9
203.17908	14.3
205.15814	1.5
205.19379	1.2
207.17372	1.6
211.14737	1.6
213.16385	5.5
215.17902	9.8
217.15932	0.9
217.19421	6.9
219.17412	2.8
225.16486	1.1
227.17920	4.9
229.19456	17.2
233.18893	0.9
241.19452	4.9
243.21045	4.4
253.19347	1.6
255.21017	8.8
257.22614	10.9
267.21027	3.7
269.22556	6.6
269.82574	0.7
271.20413	3.0
271.24084	1.1
281.22589	1.3
283.24118	2.9
285.22052	1.1
295.24133	1.5
297.25775	0.9
305.08499	1.5
309.11804	0.9
311.27350	2.9
321.25186	0.8
323.27225	0.8
365.31915	7.7
405.35049	28.6
406.35422	1.5
423.36111	100.0
424.36328	7.9
581.38080	17.3
599.39581	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	926.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03875	0.7
67.05421	7.6
69.03343	4.0
69.06980	2.9
70.06513	5.0
71.04904	7.4
73.02792	0.6
79.05406	8.1
81.03333	1.1
81.06973	3.1
82.41888	0.6
83.04907	3.3
84.04430	1.4
84.08083	1.3
85.02346	1.0
85.02829	15.0
85.06467	46.8
86.05988	0.8
86.09615	0.9
91.05400	6.0
93.06960	8.8
95.04890	1.3
97.02824	2.9
97.06467	1.4
99.08029	2.8
102.05496	0.8
105.06974	6.5
107.04905	10.4
107.08530	12.1
109.02828	0.9
109.06472	0.9
110.07113	1.0
111.04372	7.2
116.49300	0.5
117.06960	2.4
119.04881	2.2
119.08526	9.6
121.06462	6.7
121.10098	10.1
125.05951	1.4
127.03839	3.5
129.06967	3.3
131.08530	41.6
135.04446	0.9
135.07965	0.8
135.11646	3.2
136.07513	1.1
137.09613	4.4
139.07468	0.9
145.02773	0.8
145.04865	0.8
145.06505	0.6
145.10098	18.0
147.04373	1.0
147.08032	3.6
147.11562	0.7
149.05974	1.3
149.09598	36.9
151.03877	0.8
153.05492	1.3
155.06999	0.8
155.08583	0.7
161.02242	0.9
163.07436	1.1
163.11147	18.9
165.09081	6.2
167.07053	0.8
167.08446	0.8
167.10640	16.2
172.94438	0.7
173.09564	4.2
175.03952	0.9
177.05460	1.1
179.03355	0.8
181.04938	2.6
191.10632	34.4
192.10921	1.3
197.11693	0.9
207.06482	2.2
209.11688	46.7
223.07590	2.5
227.12735	100.0
228.13130	3.1
239.07050	0.9
241.08475	1.4
249.89317	0.7
267.06500	3.6
268.07184	2.4
269.08008	1.1
279.06436	1.4
297.07504	11.5
307.09598	0.6
321.07336	2.8
363.08984	0.9
406.20578	3.1
427.12515	0.9
485.10779	0.8
503.11786	11.5
509.27274	0.7
803.18616	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03865	0.4
66.49741	0.3
67.05076	0.6
67.05424	12.3
68.04925	0.4
69.03349	2.9
69.06605	0.5
69.06985	10.9
70.02865	2.4
70.06507	37.7
71.01260	2.1
71.04898	1.9
71.06831	1.7
72.08068	24.7
73.02824	8.6
73.08386	0.6
74.05978	3.2
78.34357	0.4
79.05402	7.5
81.03329	1.0
81.06508	0.9
81.06975	23.4
82.06454	0.7
83.01237	0.6
83.04886	1.7
83.06013	2.2
83.08527	4.8
84.04422	9.2
84.08064	47.6
85.02826	29.8
85.08395	2.7
86.09627	19.9
87.04372	0.7
87.05514	4.9
88.03907	3.4
89.02291	0.5
91.03338	0.7
91.03878	13.9
91.05402	14.3
92.05707	0.6
93.04465	0.6
93.06969	19.9
95.01252	25.8
95.04881	0.6
95.06000	0.4
95.08528	52.7
96.08054	0.9
96.08874	0.8
97.02815	12.8
97.10108	3.4
98.02312	0.5
98.09628	0.9
99.00761	1.9
99.04385	0.8
99.05499	0.8
101.02322	0.9
101.07048	2.1
102.05479	3.2
103.03874	2.7
103.05383	2.2
105.06972	21.4
107.04916	0.7
107.08535	37.2
109.06468	1.8
109.10101	31.2
110.07112	10.3
110.09605	0.9
110.10409	0.7
111.08033	5.1
111.09160	0.7
111.11655	2.0
112.07512	0.6
113.02285	3.7
115.04024	0.4
115.04963	0.9
115.08644	1.7
117.06972	2.3
119.04906	2.8
119.08533	27.9
120.08054	23.3
120.08841	1.3
121.08369	1.7
121.10087	28.6
122.10472	0.7
123.00723	1.7
123.08018	0.4
123.11660	15.5
125.07066	0.4
127.03873	5.9
127.04974	1.7
127.08637	1.8
128.06146	0.5
129.06964	0.7
129.09224	0.9
129.10196	27.8
130.10576	1.6
131.03406	1.6
131.08543	7.7
133.06120	0.7
133.10091	25.6
135.11658	20.4
136.07552	16.9
136.08594	0.5
136.12004	0.5
137.07913	1.6
137.13243	3.1
139.04973	0.5
139.08635	0.8
139.11145	2.1
141.01797	56.1
141.06642	0.5
141.10199	2.8
142.02162	1.7
143.08490	2.7
143.11772	0.8
145.04916	5.7
145.10098	14.5
146.10478	0.7
147.11664	21.6
148.11923	0.5
149.12048	0.6
149.13234	13.9
151.11148	1.9
152.14297	0.6
153.10216	0.5
155.04482	0.6
155.08157	2.3
155.11787	1.9
157.10069	4.4
157.13403	0.7
158.07925	0.4
158.10927	0.6
159.02841	6.3
159.07652	0.7
159.11652	18.2
161.13217	20.4
162.13553	0.6
163.05981	9.1
163.14787	10.1
165.12717	1.6
167.11740	0.6
167.14157	0.5
168.11501	0.5
169.09828	3.1
169.13348	2.6
171.07564	0.6
171.11667	5.3
172.07297	0.6
173.05525	1.0
173.13229	12.7
174.13655	0.4
175.14783	12.9
176.10672	0.7
177.03920	0.9
177.16336	12.1
179.17911	2.0
181.06013	1.7
181.09836	0.4
182.12952	0.6
183.11534	2.0
184.07179	1.7
185.09177	2.4
185.13170	5.8
186.09027	0.8
186.12358	0.7
186.13969	0.5
187.07040	0.5
187.14752	12.4
189.16342	14.4
191.14349	0.5
191.17912	7.3
193.15891	1.7
195.11246	0.7
197.13101	2.4
197.16368	0.5
199.07051	0.6
199.14775	5.4
201.16333	17.5
202.16731	0.6
203.17918	17.1
203.19664	0.8
204.18199	0.5
205.15857	4.4
205.19344	3.1
207.17435	2.4
211.14726	1.0
213.08716	2.8
213.16335	5.2
215.17903	8.8
217.08136	1.6
217.16026	3.6
217.19469	12.6
219.17401	3.2
219.21030	0.6
221.12836	2.8
221.18921	0.6
222.12541	0.6
223.10793	1.6
225.16350	1.8
227.06503	0.6
227.17902	7.3
229.11873	0.6
229.19478	9.4
230.07770	0.7
231.17375	0.7
231.21159	1.0
233.18982	0.6
239.17892	0.8
240.13344	0.7
241.19472	4.6
243.21027	8.0
245.19017	2.1
247.20547	0.5
252.13425	0.7
253.19530	2.0
255.20993	6.3
257.22513	4.7
259.20502	0.9
261.22162	0.5
267.21024	2.6
269.22568	8.0
270.14429	0.9
271.24243	0.9
281.22571	0.9
283.24124	1.7
285.22211	0.6
285.46857	0.5
295.24203	1.7
296.12506	0.9
297.25793	1.7
313.25162	0.8
314.13452	0.5
349.28555	1.0
365.31979	7.3
405.35083	22.1
406.35577	2.4
421.34766	1.7
423.36118	100.0
424.36423	9.2
441.37134	1.9
459.62201	0.5
506.98117	0.4
511.37979	3.1
581.30829	0.6
581.38416	6.8
582.38654	0.8
599.39343	9.5
600.39587	1.0
867.65723	0.5
925.79407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05433	6.8
68.04943	1.0
69.03348	6.8
69.06979	7.5
70.02863	4.6
70.06509	77.5
71.04906	16.4
71.06827	1.7
72.08070	45.6
73.02837	5.9
73.08391	1.3
74.05989	5.9
75.04388	1.6
79.05413	4.2
81.03341	1.0
81.06985	10.6
81.35078	0.6
82.06503	1.1
83.04890	8.9
83.06016	5.2
83.08535	1.3
84.04427	18.2
84.08067	100.0
85.02829	33.9
85.06509	0.7
85.08401	4.5
86.09625	38.1
87.04411	0.8
87.05506	9.1
87.09975	1.1
88.03912	6.7
91.05407	19.1
93.04428	1.4
93.06960	9.8
95.01249	7.7
95.04908	1.7
95.08530	22.0
96.08056	1.3
97.02827	9.0
97.06462	1.2
98.02339	1.4
98.09633	1.7
99.00739	1.3
99.05517	1.7
101.07084	3.5
101.10718	2.7
102.05484	7.6
103.05409	4.5
105.06999	7.5
106.19215	0.7
107.04874	1.4
107.08533	14.6
109.06520	0.9
109.10106	12.5
110.07119	22.2
110.09628	1.1
111.04392	6.8
111.08045	3.0
111.09157	1.6
112.03881	1.0
112.07579	1.4
115.03896	3.3
115.05020	3.3
115.08657	2.8
118.06511	0.7
119.04893	7.7
119.08549	11.3
120.08059	45.1
121.08327	5.0
121.10088	11.4
123.07999	0.7
123.11672	4.4
125.07037	1.2
125.09623	1.2
127.04002	0.8
127.04987	3.7
127.08638	3.5
128.07097	0.9
129.05437	5.1
129.06523	1.5
129.10199	60.6
130.04922	0.8
130.10585	3.9
131.08549	1.5
132.08041	0.9
133.06059	1.7
133.10104	10.2
135.11641	8.3
136.07559	34.1
137.07904	3.1
137.09579	3.3
137.10629	0.6
137.13240	1.1
138.09067	0.8
139.05005	0.9
139.08626	3.2
139.11107	1.0
141.01816	18.9
141.06619	0.8
141.10208	6.6
143.08415	1.1
143.11751	4.0
145.10109	7.3
147.04373	0.9
147.06491	1.0
147.11644	8.4
149.13254	5.7
151.11229	0.8
152.14307	0.8
153.06613	0.9
153.10243	1.2
155.08138	4.5
155.11778	3.6
157.09955	3.0
158.09534	1.1
159.02850	3.5
159.07686	1.7
159.11630	7.3
161.13206	6.0
163.14789	2.6
164.76022	0.7
166.06053	1.1
167.08118	0.7
169.09692	6.1
169.13306	4.0
171.11581	3.6
173.05524	1.3
173.13177	6.4
175.14787	4.0
176.10664	1.4
177.16362	2.5
181.06052	1.4
181.09627	1.5
182.12842	1.0
183.11377	3.0
184.07262	1.4
185.05559	1.0
185.09160	6.2
185.13094	1.5
186.09114	0.8
186.12379	3.9
187.07140	0.9
187.10841	0.9
187.14709	3.5
189.16335	8.8
195.11356	1.0
195.17366	0.8
197.12921	1.4
197.16383	1.7
199.07130	1.5
199.14783	2.6
200.13791	0.9
201.12459	1.1
201.16357	5.4
203.17918	3.8
205.15918	2.6
207.17468	1.5
213.08720	4.3
213.16273	1.2
215.13873	1.2
215.17909	1.5
217.08220	1.3
217.15791	1.2
219.17392	6.1
220.85156	0.7
221.12735	4.8
223.10741	2.5
224.10345	0.8
224.17545	0.9
225.07605	0.8
226.08217	0.8
227.06587	1.4
227.14214	0.9
229.19461	1.0
230.07770	1.0
231.11209	0.9
231.17326	2.5
233.18924	0.8
243.17372	2.6
245.07574	1.2
247.20441	1.0
249.12321	1.3
249.18486	0.9
252.13354	1.3
257.18954	0.7
261.18463	5.6
269.22672	0.8
270.10870	0.7
270.14560	0.9
275.20120	1.0
279.10681	1.2
280.16089	0.7
281.22513	0.9
287.19965	1.3
289.21661	1.0
301.21558	1.3
305.08353	0.8
314.13593	0.9
329.24719	1.3
397.30939	1.2
419.32938	1.5
423.36166	1.5
437.34079	16.6
438.34714	1.0
455.35089	37.7
456.35098	3.1
613.37494	6.4
714.60046	0.8
851.02417	0.8
854.94360	0.8
886.60394	0.8
913.58337	0.9
954.21027	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.496
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05429	15.1
69.03348	24.1
69.06986	4.9
70.06510	46.9
71.01262	3.4
71.04909	43.3
72.08052	11.3
73.02812	14.9
73.99372	2.0
74.05998	2.3
75.04373	4.9
79.05383	4.1
81.03309	3.3
81.06980	47.3
83.04892	20.6
83.06004	2.1
83.08533	3.6
84.04417	9.3
84.08073	20.9
85.02829	96.3
86.09616	12.8
88.03902	2.0
91.05375	16.4
93.06975	35.0
95.01258	26.8
95.04880	4.0
95.08533	100.0
97.02827	36.5
98.05985	2.1
99.04394	4.7
101.02319	2.6
103.03844	3.3
105.06981	36.7
107.08533	49.2
109.02812	13.2
109.06446	4.3
109.10101	40.7
110.07108	12.7
111.04359	17.1
111.08030	9.4
113.02314	4.9
115.03867	8.6
115.08656	2.2
117.07019	2.2
119.08523	47.2
120.08060	8.9
121.10108	37.4
123.11636	9.4
127.03860	2.5
129.05421	13.3
129.10214	9.6
131.03502	2.1
131.08534	21.9
132.49057	1.9
133.10100	43.9
135.08058	2.5
135.11644	29.9
136.07571	3.3
137.09598	7.7
137.13167	2.3
139.11107	3.2
141.01799	65.2
143.08490	4.8
145.04832	2.1
145.10088	21.8
147.06528	3.0
147.11653	28.8
149.13239	25.1
151.11067	2.5
151.14740	2.2
157.10097	13.9
159.02876	10.0
159.11627	31.0
161.09572	2.7
161.13200	32.4
163.14767	12.7
171.11658	12.1
173.13194	24.8
175.14749	19.6
177.12608	3.1
177.16362	8.6
183.11549	2.8
185.13181	10.9
187.14766	17.8
188.19348	2.2
189.16324	23.1
191.14291	4.2
191.17958	4.2
197.13211	4.9
199.14760	10.5
201.16438	18.7
203.14284	5.0
203.17952	16.6
205.15862	2.6
207.17377	2.9
213.16360	8.6
215.17830	15.8
217.15784	4.7
217.19446	2.4
219.17358	4.9
225.16328	3.8
227.17903	7.7
229.19510	4.2
231.17442	3.0
233.19041	3.3
241.19553	2.2
243.17390	11.9
245.18787	2.4
257.18842	4.1
261.18451	30.6
264.95981	2.7
269.18872	2.3
271.20511	4.0
273.18494	2.8
289.21527	9.1
299.20111	2.6
301.21405	3.8
311.23834	2.5
351.17761	3.0
379.29904	8.3
397.30814	4.4
412.19492	2.4
419.32898	25.6
425.55377	2.6
437.34091	95.2
438.34433	3.6
455.29083	3.9
455.35104	82.2
455.41452	2.7
456.35486	3.1
595.35803	8.2
613.37512	20.7
701.10083	2.4
964.04211	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	929.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05427	15.9
69.03352	12.3
69.06985	11.5
70.06512	21.5
71.01269	2.6
71.04913	4.8
71.58936	1.1
72.08060	7.7
73.02837	23.7
79.05410	9.8
81.03330	7.7
81.06983	33.0
83.04890	1.5
83.08533	7.6
84.04427	7.4
84.08076	11.3
85.02832	61.6
85.03354	2.3
86.03149	1.1
86.09637	7.1
86.80943	1.1
91.03889	24.1
91.05402	8.9
92.10220	1.3
93.06979	26.7
95.01257	42.8
95.01857	1.9
95.04922	2.2
95.08535	69.1
96.08861	1.4
97.02824	36.4
97.10081	2.2
98.05998	1.2
99.00747	2.9
99.04408	2.8
101.02290	2.3
103.03863	5.2
105.06976	33.7
107.07870	2.2
107.08546	47.1
109.02814	9.5
109.06435	1.9
109.10114	47.5
110.07110	6.1
111.04364	1.5
111.08024	6.9
113.02306	5.9
115.03869	8.9
117.06973	2.5
119.08539	35.2
120.08073	1.8
121.10104	49.0
122.10477	1.8
123.00733	1.5
123.11657	18.2
125.09529	1.4
127.03885	21.7
129.10220	4.8
131.08539	12.3
133.04945	3.0
133.10094	37.5
134.99637	1.4
135.11665	21.3
137.13258	5.6
139.11179	1.8
141.01808	91.3
143.08571	2.7
145.04906	10.3
145.10103	23.7
145.82161	1.3
147.11673	28.6
149.13231	18.2
153.12773	1.4
157.10101	4.8
159.02863	9.4
159.11658	22.0
161.13237	25.9
163.05949	12.9
163.14816	15.1
169.04861	1.6
171.11676	9.0
173.13252	17.0
175.14798	19.5
177.03903	1.4
177.16364	15.2
184.07310	1.3
185.13214	7.1
187.14832	15.9
188.14977	1.3
189.16342	15.8
191.17914	8.1
199.14803	8.0
201.16341	24.9
202.16751	1.6
203.17920	25.3
205.15863	2.8
205.19463	2.3
207.17406	2.4
211.14775	1.9
213.00783	1.3
213.16339	6.2
215.17932	11.6
217.19460	14.4
219.17392	2.7
221.18900	1.7
225.16475	1.6
227.17870	6.5
229.07042	1.4
229.19473	10.7
241.19461	6.5
243.21075	9.4
245.18970	2.7
255.20998	8.4
257.22537	4.1
267.20932	1.7
269.22574	6.7
283.24158	2.5
289.09128	1.7
295.24057	2.6
313.24976	1.3
342.73618	1.4
365.31860	8.4
368.09000	1.6
382.81387	1.2
383.32632	1.5
405.35010	20.1
406.35388	1.4
421.34668	2.0
423.36145	100.0
424.36285	7.3
439.35480	2.5
441.37186	16.8
455.98950	1.4
555.39801	2.7
581.38336	9.1
599.39612	12.0
928.63800	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05428	16.3
69.03346	24.9
69.06989	13.7
70.06512	17.6
71.01266	7.0
71.04906	49.1
71.96821	1.2
72.08063	5.0
73.02837	21.5
75.04394	5.9
77.16907	1.2
79.05406	12.1
81.01191	1.2
81.03323	2.4
81.06969	39.3
83.01275	1.4
83.04899	31.8
83.06023	1.5
83.08544	7.5
83.20834	1.4
84.04427	6.0
84.08066	12.3
85.02825	100.0
85.06480	1.3
86.09621	8.9
87.04396	1.4
87.05544	1.3
91.05395	13.3
93.06970	30.2
95.01254	31.6
95.04889	2.8
95.08531	77.1
97.02824	34.3
97.06474	1.8
97.10112	5.0
99.00754	5.7
99.08033	2.0
99.47316	1.2
103.03881	2.3
103.05434	1.3
105.06968	28.7
107.08536	57.1
109.02839	11.3
109.06448	1.8
109.10108	51.4
110.07113	6.1
111.04389	22.5
111.08043	11.4
113.02301	8.9
115.03874	14.2
117.06967	2.3
119.08542	41.7
120.08057	5.8
121.06499	2.9
121.10099	49.5
121.10934	2.5
123.08090	1.4
123.11663	16.9
125.09592	2.6
127.03875	8.4
129.05432	16.3
129.06958	1.6
129.10213	5.3
131.08524	12.5
133.04926	2.1
133.10088	36.5
135.11655	36.0
137.09579	3.0
137.13245	1.7
139.03899	2.6
139.11136	2.9
141.01802	73.6
143.08540	2.0
145.10097	25.4
147.06540	5.6
147.11676	32.4
149.09567	2.1
149.13217	24.9
150.13535	1.5
151.14909	1.8
151.21442	1.3
157.04962	1.2
157.10097	5.9
159.02856	7.4
159.11661	31.4
161.09601	1.4
161.13219	32.8
163.14815	14.1
165.12657	1.7
171.06435	2.3
171.11604	7.2
173.13235	18.6
175.14784	19.9
177.03975	1.5
177.16341	13.6
185.13246	5.7
187.10913	1.3
187.14775	14.8
189.16342	22.1
191.17912	10.8
193.15843	5.2
197.13165	1.7
199.14810	6.5
201.16386	27.3
203.17924	19.8
205.15891	5.7
207.17383	5.3
211.14832	1.9
213.16385	6.0
215.17920	14.3
217.15898	2.7
217.19455	5.7
219.17415	12.4
225.07533	3.0
225.16432	2.0
227.17896	7.6
229.19469	2.9
231.17365	2.3
233.18971	6.2
241.19429	1.8
245.18948	9.5
253.19424	2.3
255.21066	2.0
261.25879	1.3
263.20062	9.1
269.22467	1.9
273.21991	1.8
279.10764	3.2
285.21979	2.1
287.07507	2.1
295.23859	1.7
299.23560	1.7
303.23230	1.9
305.08585	5.8
331.26141	2.5
381.31485	5.0
399.32343	3.1
403.33542	3.0
409.34528	2.2
411.36032	1.5
421.34540	35.7
422.34961	2.0
432.40479	1.5
439.35629	62.9
440.35947	5.1
454.75238	1.6
457.36667	87.9
458.36761	7.9
597.37628	5.7
615.38617	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	929.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03837	0.6
67.05081	0.5
67.05427	13.0
68.99723	0.4
69.03344	11.1
69.06660	0.4
69.06990	9.4
70.06518	4.6
71.01264	2.5
71.04890	0.9
71.08517	0.3
72.08047	0.5
73.02827	38.8
75.04385	0.7
77.68806	0.3
79.05407	7.5
81.03332	3.1
81.05175	0.3
81.06973	26.3
82.85365	0.4
83.01241	0.9
83.04871	0.6
83.08535	5.4
84.04443	0.5
84.08071	2.7
85.02826	51.2
85.06477	0.4
86.09623	1.6
87.04366	0.9
90.92709	0.4
91.03879	21.5
91.05393	6.2
92.28756	0.5
93.06966	22.4
94.07275	0.5
95.01254	41.6
95.04887	1.7
95.08530	60.5
96.08841	0.9
97.02821	29.5
97.10088	3.7
99.00756	2.9
99.04379	1.0
99.08017	0.4
101.02321	2.9
103.03874	5.6
105.06974	35.4
107.04897	0.4
107.08533	37.1
108.08874	0.8
109.02807	2.0
109.06455	1.9
109.10103	42.9
110.07107	1.0
110.10428	0.7
110.26863	0.4
111.08028	8.0
111.11646	0.8
113.02300	5.8
115.03896	6.6
117.06951	2.2
119.08533	36.1
121.10094	32.5
123.00735	1.9
123.08026	0.9
123.11652	16.6
125.09573	2.5
127.03867	11.9
129.07001	0.6
129.10184	0.8
131.03392	3.1
131.08528	6.1
133.04962	2.9
133.10095	35.1
134.10349	0.6
135.11659	27.6
137.09615	0.6
137.13243	5.0
139.03891	0.7
139.11153	1.7
141.01802	100.0
142.02141	0.9
143.08508	3.4
144.09305	1.5
145.04935	9.5
145.10106	15.5
147.11664	33.5
148.12003	0.7
149.13237	18.9
151.11153	1.9
151.14835	0.7
157.10106	4.6
158.10893	0.6
159.02850	12.9
159.11658	17.2
160.12190	0.7
161.13216	20.1
163.05991	13.7
163.11148	0.8
163.14807	8.0
165.12718	2.0
169.10052	0.8
171.11635	4.0
173.13206	11.2
174.13667	0.4
175.14749	10.3
177.03951	4.0
177.12666	0.5
177.16335	9.5
181.07130	0.4
183.11507	1.5
184.12439	0.5
185.13213	3.8
186.14085	0.5
187.14801	8.0
189.16331	14.0
191.14105	0.5
191.17909	5.2
193.15790	3.3
195.11661	0.6
195.17407	1.5
197.13272	1.7
199.14757	4.2
201.16339	12.2
203.17918	38.5
204.18268	0.9
205.15810	3.3
205.19470	3.0
207.17398	3.3
213.16315	4.6
215.17929	9.4
217.15999	1.4
217.19485	10.0
219.17400	5.8
219.20921	0.6
221.19000	1.0
225.16360	1.0
227.17929	3.8
228.18674	0.6
229.16034	0.5
229.19484	12.2
231.17401	0.9
231.20930	0.8
233.18968	2.0
241.19472	2.4
243.20955	3.1
245.18976	0.8
247.20523	7.2
253.19475	0.8
255.21054	2.7
257.22586	4.0
259.20438	1.6
261.22083	1.0
267.21130	1.0
269.22552	5.3
271.20438	0.6
271.24100	1.0
273.05984	1.8
273.22037	1.9
275.23840	0.9
281.22772	0.6
283.24219	2.2
285.22214	0.7
287.23688	1.0
291.07077	0.8
295.24228	1.7
297.25705	4.7
301.25266	0.8
309.25662	0.6
311.27264	0.6
313.25165	0.6
315.26788	0.6
321.08224	0.8
321.11902	0.5
335.27518	0.6
339.09290	1.7
365.31796	5.9
383.33102	2.4
393.35046	1.8
405.35062	20.5
406.35303	0.5
407.36624	0.8
411.35950	0.8
421.34714	0.6
423.36127	96.0
424.36392	5.3
425.37973	0.6
441.37186	18.9
442.37543	0.6
515.37183	0.9
519.38550	0.5
537.39209	1.0
555.40393	11.7
556.41119	0.5
573.41547	9.8
581.38129	6.9
582.39368	0.5
599.39307	12.5
600.39630	0.7
731.42712	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05433	26.7
69.03351	20.5
69.07006	22.7
70.06515	78.1
71.01287	3.3
71.04915	30.1
72.08072	47.7
73.02828	18.4
75.04397	3.4
79.05390	7.2
81.03320	2.8
81.06979	47.4
83.04908	15.8
83.08543	4.5
84.04430	16.7
84.08073	92.0
85.02833	69.9
85.08405	6.3
86.09627	49.0
87.04412	3.8
87.05522	13.8
88.03927	4.6
91.04895	3.7
91.05399	24.4
93.06981	52.5
95.01283	41.6
95.08539	100.0
97.02805	26.8
97.10085	3.1
102.05485	4.0
103.03867	5.4
105.06979	36.4
107.04917	3.7
107.07859	4.9
107.08530	60.2
109.10109	67.3
110.07132	26.3
111.04375	6.6
111.08052	13.2
115.03888	5.4
119.08533	49.8
120.08057	40.3
120.08847	4.5
121.10099	60.1
123.11678	29.5
127.05038	4.6
129.05472	5.0
129.10197	47.0
131.08556	16.2
133.10101	43.2
135.11679	33.4
136.07567	33.5
139.11198	3.7
141.01823	74.6
141.10176	4.3
142.02138	3.9
145.10120	19.6
147.11671	33.6
149.13239	29.8
150.13574	5.6
151.11217	4.3
157.10025	3.2
159.02908	12.6
159.11676	36.7
161.13260	32.5
163.14775	26.5
173.13202	25.4
175.14760	25.8
177.16362	17.1
185.13177	6.6
187.14774	15.2
189.16365	19.8
191.17932	11.6
193.15948	3.0
201.16409	17.9
201.71297	3.5
203.16156	4.3
203.17912	38.7
205.19467	3.8
207.17656	3.6
209.95265	3.3
213.08676	3.7
213.16338	6.8
215.17966	19.8
217.19487	16.1
219.17438	10.9
221.18999	5.9
227.17929	5.3
229.19507	19.4
233.18858	4.7
241.19403	4.1
243.21010	4.7
247.20496	7.0
255.21178	4.6
257.22449	3.2
269.22635	3.0
310.66110	3.7
383.33270	4.6
405.35095	5.4
423.36151	95.0
424.36365	13.9
441.37250	96.2
442.37457	16.3
581.38049	4.7
599.39471	29.7
819.35608	3.5
867.74438	3.6
896.46106	4.6
919.22510	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	932.6289
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04881	0.7
71.08553	1.4
72.04431	1.5
83.04893	4.5
88.33999	0.8
91.05413	1.1
102.09123	3.2
105.06999	0.9
116.10681	7.0
130.12231	3.1
147.02094	0.8
147.11671	9.7
223.05133	7.9
244.99689	3.1
271.20190	0.7
279.11349	1.3
312.32559	100.0
313.32733	1.8
321.02859	2.9
377.09122	1.4
433.15256	4.4
453.12277	1.0
509.19006	0.9
565.24481	1.6
588.32013	0.9
621.30884	25.8
628.51385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92905	0.1
69.03342	0.1
71.01269	0.1
73.02829	0.3
85.02824	0.1
89.61873	0.1
94.03996	0.1
97.02803	0.1
101.59814	0.1
106.18560	0.1
115.03925	0.1
119.03510	0.3
133.04918	0.1
136.06160	100.0
137.04524	0.3
137.06602	1.1
153.79306	0.1
159.20262	0.1
268.10345	19.7
269.10666	0.5
286.14566	0.1
288.53629	0.1
408.22192	0.1
519.98376	0.1
684.10345	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	934.391
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03870	0.9
67.05076	0.5
67.05427	10.6
68.99706	0.6
69.03003	0.4
69.03345	11.9
69.06988	3.8
70.06507	5.8
71.04548	0.6
71.04908	10.8
76.56791	0.4
77.03774	0.5
79.05405	16.8
80.05791	0.4
81.03335	4.6
81.06976	16.8
83.04899	9.1
83.08530	5.4
84.04430	0.7
84.08057	2.3
85.02828	3.3
85.06468	3.4
86.09612	1.4
87.00731	1.6
87.04381	3.1
91.04821	0.6
91.05399	17.1
92.97905	0.3
93.06965	12.3
95.04285	0.5
95.04893	12.9
95.08533	6.3
97.02822	74.9
97.06460	4.8
97.10086	0.7
98.03137	0.4
99.04385	13.2
103.05419	0.7
105.01807	0.5
105.06973	36.2
107.04900	19.2
107.07791	0.5
107.08537	22.2
109.02811	2.2
109.06464	10.6
109.10107	34.3
110.07111	1.7
110.10444	0.4
111.04388	3.9
111.08000	2.7
113.05947	3.2
115.03830	0.7
115.05400	1.9
116.06223	0.4
117.06963	7.4
119.04891	0.8
119.08534	36.6
120.08073	0.5
120.08820	0.4
121.06450	7.5
121.10092	14.7
123.04371	0.6
123.08008	5.2
123.11660	8.0
125.05920	2.2
125.09610	2.5
127.03860	2.8
128.06184	6.5
129.05466	0.5
129.06982	5.0
129.10216	0.5
130.07735	2.1
131.04909	0.7
131.08536	11.0
132.05644	0.6
133.06485	4.1
133.10094	67.2
134.10460	1.6
135.04384	0.5
135.07997	4.9
135.11636	1.7
136.07529	0.6
137.05945	1.9
137.09602	10.1
137.13228	1.7
141.06978	0.6
142.07770	0.4
143.08546	19.1
144.09241	0.6
145.06473	4.0
145.10101	9.0
146.07248	5.9
147.08020	30.0
147.11632	3.7
148.08394	0.4
149.05963	1.3
149.09608	0.8
149.13226	7.9
151.03746	0.5
151.07553	1.7
151.11145	9.4
153.09061	2.5
155.08484	1.9
157.10080	1.8
158.10910	3.9
159.07980	2.4
159.11650	1.4
160.08813	0.7
161.05981	3.2
161.09583	100.0
162.09949	2.8
163.03877	0.4
163.07507	1.8
163.11119	2.1
163.14763	1.9
165.09074	13.2
165.12706	7.1
167.08440	0.5
167.14294	8.5
169.10077	1.3
171.07997	4.8
171.11557	0.8
173.09598	1.8
173.13235	12.6
174.06755	2.5
175.07446	0.7
177.05440	0.5
177.09119	0.7
179.10643	7.8
180.21976	0.4
183.02913	0.6
183.11649	2.1
185.09447	0.5
187.07430	1.4
187.11072	0.8
189.07367	0.6
189.09062	17.0
191.14262	10.8
193.10072	1.8
196.08768	0.7
197.09563	1.6
199.11099	0.8
201.09018	0.8
201.12683	0.5
207.10127	24.6
208.10359	0.5
209.15331	37.2
210.15604	0.9
211.11140	2.3
213.09161	0.5
215.10709	2.4
225.09175	0.6
225.11140	3.7
227.16348	0.8
229.12166	3.3
239.10564	2.9
243.10046	0.6
247.09900	0.4
249.63124	0.4
257.11646	7.6
259.13214	0.4
267.10141	1.2
271.05875	1.8
275.12686	5.4
285.11093	3.5
303.12207	8.6
311.11142	4.8
321.13318	4.4
327.06915	0.4
329.12247	44.2
330.12387	2.0
345.07932	2.0
352.96890	0.4
380.01593	0.4
389.12161	2.1
407.13315	6.3
425.14349	4.1
443.15411	11.2
444.15588	0.5
544.14850	0.3
559.16064	1.9
624.02954	0.4
637.17126	0.6
655.18103	1.3
673.19440	3.3
691.20758	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	937.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05419	9.0
69.03346	3.0
69.06975	9.1
70.02884	2.4
70.06511	77.4
71.01267	11.8
71.06849	1.9
72.08075	22.2
73.02836	7.6
73.92614	1.4
74.05984	3.3
75.04378	2.3
79.05407	6.8
81.03324	2.9
81.06969	22.7
83.01271	2.0
83.06031	3.8
84.04003	1.4
84.04427	13.5
84.08071	31.5
85.02832	32.0
86.09628	23.7
87.05519	7.5
88.03917	3.2
91.03883	9.4
91.05421	13.3
92.10129	2.9
93.04472	1.7
93.06973	25.9
93.64497	1.5
95.01241	24.8
95.08532	38.3
97.02856	14.2
97.06479	1.4
101.02317	22.5
101.07101	1.4
102.05474	3.4
103.05424	2.1
104.05262	2.2
105.06984	29.7
107.08546	33.0
109.02829	8.6
109.06445	1.9
109.10102	28.3
110.07110	28.5
110.55504	1.6
112.08598	1.6
113.02286	1.7
115.08681	1.9
117.06965	2.4
117.65922	1.7
119.08552	29.8
120.08070	33.6
121.10114	21.9
123.11636	6.3
127.03880	100.0
129.10179	11.1
131.08531	16.4
133.10103	22.2
135.11652	11.7
136.07556	4.0
141.01807	47.6
143.08551	3.7
145.04951	14.6
145.10114	24.6
147.11665	23.2
149.13231	19.1
149.29370	1.7
155.04366	1.7
157.10094	13.3
159.11678	27.1
161.13228	16.7
163.05978	6.6
163.14812	7.3
165.68494	1.8
167.08095	3.1
169.10057	2.4
171.11600	9.5
173.13191	19.4
175.14760	9.1
177.12753	3.2
177.16417	2.5
183.11661	2.5
185.13211	8.3
187.14758	9.1
189.16383	14.0
191.17854	1.8
197.13161	3.3
199.14778	6.4
201.16376	10.3
203.14246	3.5
203.17906	4.0
205.15933	6.0
207.17406	2.5
211.14775	2.2
213.16342	9.1
215.17914	2.7
219.17455	2.5
225.16283	2.7
227.17920	2.5
231.17427	7.0
239.17822	2.4
269.18948	1.9
283.20496	1.6
285.22379	2.0
311.23578	2.1
379.30051	2.1
407.32980	6.3
419.32913	21.9
421.34900	2.2
437.34048	52.0
438.34583	3.0
455.34836	3.7
489.86829	1.9
551.37311	2.3
563.37549	2.7
581.37976	7.0
595.35724	6.2
613.36530	2.6
914.34656	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05435	13.2
68.05707	0.5
68.99720	0.5
69.03331	1.8
69.06989	11.6
70.06508	13.3
71.00919	0.8
71.01275	19.6
71.04917	0.6
71.06808	0.5
72.08069	7.9
73.02838	6.6
74.06007	0.5
75.04395	5.1
77.03835	0.6
79.05408	8.3
81.03324	0.7
81.06505	1.0
81.06977	28.1
83.01244	2.1
83.06022	0.7
83.08533	5.5
84.04427	3.0
84.07596	0.8
84.08071	16.9
85.02831	78.4
86.09631	5.7
87.05505	1.2
88.03931	1.2
91.05407	10.5
93.06980	24.3
95.01260	41.6
95.04893	1.2
95.08535	56.4
97.02825	4.4
97.06413	0.7
97.10092	3.6
99.00755	4.7
99.04382	0.7
101.02321	31.9
101.07126	0.9
102.05463	0.8
103.03876	6.6
105.06976	27.2
107.08540	39.4
109.02840	0.8
109.06435	1.0
109.10110	37.1
110.07097	3.2
110.10419	0.7
111.08045	7.3
111.11697	1.1
113.02326	8.5
117.06970	2.3
119.08543	33.4
120.08066	6.9
120.08836	0.9
121.10102	31.2
123.00735	2.1
123.11658	14.2
127.03881	64.1
129.10205	8.1
130.07704	0.6
131.03372	5.9
131.08536	8.3
133.10101	26.1
135.11665	18.4
136.07562	6.8
137.13216	3.2
139.11209	0.6
139.37158	0.6
141.01811	100.0
141.10184	1.1
142.02176	1.2
143.08588	3.8
145.04942	31.2
145.10106	18.7
146.10408	0.7
147.11676	24.1
149.13235	15.8
153.12680	0.7
154.07431	0.5
155.03325	0.7
155.08292	0.7
157.10095	6.0
158.10854	0.8
159.02869	17.3
159.07555	0.5
159.11667	18.7
160.12135	0.8
161.13232	19.4
163.14787	10.7
165.12662	1.8
169.09776	0.8
171.11688	5.4
172.12415	0.7
173.13248	14.4
175.14780	15.5
177.03903	6.1
177.12643	0.7
177.16365	11.6
179.17909	2.5
183.11646	0.7
185.09166	0.8
185.13255	4.5
187.14775	13.8
189.16339	16.9
191.17882	7.1
193.15837	2.2
197.13142	0.8
199.14755	5.4
201.16365	21.6
202.16682	0.9
203.17924	19.3
205.15891	4.3
205.19489	3.4
207.17383	2.7
211.14725	0.6
213.16391	4.7
215.17946	10.1
217.15875	3.2
217.19481	15.2
219.17427	2.2
219.21077	0.9
225.16399	0.7
227.17950	7.3
229.19495	9.3
231.17429	2.1
231.21075	2.3
233.19003	0.9
235.20453	0.6
239.17757	2.0
241.19408	3.9
243.21132	4.4
245.18945	2.1
247.20558	0.6
253.19295	1.0
255.21060	5.4
257.22562	5.1
259.20648	1.0
261.22256	0.6
267.20935	0.7
269.22522	5.2
270.23068	0.6
271.24149	2.3
281.22617	2.5
283.24246	2.3
295.24274	2.0
297.25650	1.1
311.27356	0.7
313.25259	0.9
314.13654	0.8
317.04941	3.1
365.31998	6.8
393.34952	0.8
395.36722	0.7
405.35092	17.1
406.35330	2.3
421.34204	0.7
423.36148	85.0
424.36523	8.3
441.37384	4.0
567.40149	1.2
581.38318	3.1
599.38995	2.8
916.39124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.5717
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05425	4.2
67.72578	0.2
69.06647	0.4
69.06989	4.3
71.08546	16.9
73.06464	0.3
75.04373	0.2
81.06979	7.4
83.08540	6.2
85.06473	0.3
85.10106	11.6
86.09616	0.6
89.05939	1.8
93.06957	0.4
95.08532	12.1
97.10098	3.3
98.98379	0.4
99.11658	0.4
103.07507	1.4
104.10693	0.2
107.08516	0.4
109.02718	0.3
109.10110	4.8
111.11671	1.2
123.11652	2.5
124.01544	0.5
137.13237	1.4
171.21027	0.3
184.07265	0.5
198.05188	0.3
239.23491	2.3
257.24677	3.1
275.25800	0.4
282.27878	3.1
313.27310	100.0
314.27692	5.3
436.28137	0.5
454.29202	4.1
537.43542	0.3
647.62262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05421	12.7
69.03358	3.2
69.06997	11.7
69.10409	1.2
70.06514	19.1
71.01260	2.9
72.08073	8.3
73.02832	11.7
79.05409	7.2
81.06977	27.1
83.08536	6.6
84.04440	2.5
84.08079	15.6
85.02826	14.8
86.09637	12.1
87.89346	1.4
89.39600	1.5
91.05388	10.6
93.06973	17.3
95.01279	16.4
95.08538	59.7
97.02832	7.4
97.10096	3.1
103.03905	1.6
105.06988	25.4
107.08537	36.8
109.10104	30.0
109.10787	2.6
110.07130	2.7
111.08051	6.0
111.11649	1.6
115.03865	2.6
116.57893	1.6
117.06992	1.7
119.08548	27.6
120.08067	3.5
121.10091	30.0
123.11652	16.5
127.03915	2.1
129.10216	3.4
131.08536	10.3
133.05052	1.4
133.10089	29.2
135.11647	20.5
136.07555	2.8
137.13200	1.7
141.01825	36.6
143.08519	5.6
145.10124	16.4
147.11667	19.1
149.13239	15.8
157.10107	3.2
159.11647	18.0
161.13252	17.5
163.14804	11.4
171.11720	3.3
173.13251	13.7
175.14833	11.3
177.16443	12.3
179.63840	1.5
184.07321	1.9
185.13217	5.9
187.14749	11.7
189.16354	14.1
191.17937	5.8
197.13249	2.1
199.14848	3.0
201.16377	20.5
203.17889	17.2
205.15933	3.4
205.19547	2.9
207.17404	1.6
211.14708	1.6
213.16299	3.0
215.17989	7.3
215.41898	1.5
217.19440	15.4
219.17500	2.4
227.17929	9.5
229.19479	7.6
231.21011	1.4
241.19446	5.7
243.21135	8.8
255.21053	8.4
257.22598	3.4
269.22662	7.6
269.36832	1.6
271.24271	2.7
281.89734	1.6
283.24170	1.8
295.24216	1.8
365.31909	9.5
404.03253	1.6
405.35077	21.8
423.36121	100.0
424.36484	6.7
581.37946	13.1
599.39185	7.4
903.04260	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05431	3.9
67.39458	0.4
68.04936	0.4
69.03335	0.9
69.06989	3.3
70.02872	0.6
70.06510	55.7
71.01270	8.5
71.04906	0.5
71.06204	0.6
71.06841	4.4
72.08069	17.5
73.02833	3.4
73.08392	0.6
74.05973	0.8
75.04379	2.3
76.22370	0.4
79.05389	3.3
81.03341	0.9
81.06978	8.9
83.06026	3.4
83.08543	1.6
84.04436	4.1
84.08073	5.5
85.02830	21.8
86.09626	12.4
87.05499	0.4
87.09955	0.8
88.03895	0.4
91.03879	5.6
91.05358	3.6
93.04451	0.8
93.06980	9.5
95.01258	11.5
95.06013	0.8
95.08537	14.5
95.09140	0.6
97.02827	6.6
97.06455	0.7
97.10088	0.9
97.63314	0.4
98.05987	0.8
99.00738	1.0
99.04357	0.6
101.02315	18.1
101.07094	0.5
102.05489	1.0
103.03877	1.6
103.05418	0.5
104.05280	2.2
105.06975	9.8
107.08537	10.7
109.02811	2.0
109.10114	9.5
110.07117	14.2
111.07391	0.9
111.08047	2.2
112.08672	1.7
113.02299	0.9
115.08640	1.0
117.07006	0.6
119.08538	9.5
120.08067	13.9
120.08904	0.8
121.08405	2.1
121.10103	8.6
123.11652	2.3
126.03657	0.5
127.03880	100.0
128.04236	2.2
129.10207	2.0
131.03307	0.6
131.08516	3.3
133.10094	7.0
135.11644	5.0
136.07567	0.4
136.08667	0.4
139.03967	0.4
139.08656	0.4
140.06897	0.3
140.14278	0.5
141.01794	20.1
141.06421	0.6
142.02199	0.4
142.07755	0.4
143.08557	2.7
143.11766	0.7
145.04948	12.7
145.10109	6.7
146.10451	0.4
147.11678	7.6
149.13229	5.6
155.08473	0.5
157.10118	3.8
159.02846	2.2
159.11667	9.3
161.13229	5.9
163.06009	2.7
163.14806	2.4
163.74228	0.4
167.08069	0.6
169.10158	0.7
171.11676	3.4
173.13220	5.5
175.14784	3.7
177.03844	0.5
177.10216	0.5
177.16353	3.5
183.11725	0.9
183.14890	1.7
185.13205	3.1
187.14766	3.8
189.16318	4.1
191.17894	0.9
197.13194	0.8
199.14781	2.8
201.16367	3.9
203.14268	1.3
203.17970	1.8
205.15872	2.8
207.17462	0.7
213.16376	2.5
215.17880	3.9
217.11720	1.6
217.15855	1.7
219.17485	2.1
221.19495	0.5
225.16299	0.8
227.17865	0.8
229.19586	0.7
231.17363	0.6
233.19000	2.2
239.17776	0.6
241.19402	0.7
243.17360	0.7
245.18918	2.0
253.19450	0.5
259.20746	0.5
381.31381	0.8
403.33389	1.9
409.34384	0.5
421.34610	11.3
422.34851	0.5
439.35620	11.0
440.35849	0.8
457.37036	0.5
469.48276	0.5
565.38770	3.7
583.39600	0.5
597.37866	1.7
597.73480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03854	0.7
67.05426	12.8
68.99706	0.5
69.03355	3.8
69.06985	12.2
70.06511	9.3
71.01270	2.1
71.04905	0.7
72.08066	3.4
73.02833	9.2
74.05983	0.8
74.47041	0.4
77.03851	0.6
79.05407	8.8
80.32192	0.4
81.03344	2.2
81.06973	30.9
82.07333	0.5
83.01267	0.6
83.04877	0.8
83.08530	5.6
84.04430	2.2
84.08068	8.1
85.02827	36.2
85.08385	0.6
85.44643	0.5
86.09623	5.3
87.05501	0.9
91.03879	16.8
91.05405	8.6
93.06368	0.7
93.06972	21.0
95.01258	30.0
95.01865	1.0
95.04906	1.2
95.08534	60.9
96.08875	0.8
97.02824	16.0
97.10098	3.6
99.00737	3.4
99.04384	1.2
101.02319	2.6
102.05502	0.8
103.03880	3.2
105.06976	22.8
107.08538	40.4
108.08844	0.9
109.02857	0.9
109.06477	0.8
109.10107	37.5
110.07111	2.0
111.08028	6.9
111.11671	2.4
113.02288	4.1
115.03918	0.9
117.06982	3.3
119.08541	28.7
120.08055	4.5
120.08793	0.6
121.10101	34.4
122.10448	0.5
123.00776	0.6
123.08011	0.8
123.11665	13.9
124.11982	0.6
124.62679	0.5
125.09572	0.7
127.03876	7.0
127.04855	0.6
129.06976	0.9
129.10205	5.5
131.03354	2.1
131.08549	9.1
133.10098	30.9
135.11664	21.2
135.12679	0.9
136.07570	1.2
137.13223	4.5
139.11188	2.4
140.91512	0.5
141.01805	60.1
142.02087	0.6
142.07718	0.7
143.08556	3.1
144.09258	0.8
145.04948	7.2
145.10109	17.5
147.11673	25.2
149.02129	0.5
149.13237	14.9
151.11156	0.9
151.14806	0.8
156.09386	0.5
157.10075	6.2
159.02861	5.3
159.11668	20.1
160.12497	0.6
161.13229	23.7
162.13481	0.6
163.05992	10.8
163.11163	1.0
163.14781	10.7
167.14330	0.6
169.10030	1.0
170.10786	0.6
171.11649	5.1
173.13226	13.6
173.76279	0.5
174.13840	0.7
175.14796	14.3
177.03914	2.4
177.12741	0.5
177.16364	12.7
177.86778	0.5
179.14336	0.7
179.17955	1.7
183.11624	0.8
185.13216	5.6
186.13983	0.7
187.14781	12.3
189.16351	14.2
191.14139	0.8
191.17879	5.5
193.15784	1.6
197.13170	0.6
199.14801	6.5
201.16367	20.1
202.16737	0.7
203.17941	19.4
204.18285	0.6
205.15816	4.4
205.19485	2.7
207.17436	1.0
209.13171	0.5
211.14771	1.9
211.45673	0.5
213.16353	5.5
215.17871	10.0
217.15875	2.9
217.19482	9.7
219.17473	3.6
225.16505	1.1
227.17850	6.7
229.19467	7.6
231.21066	2.8
233.19102	0.7
239.17981	1.1
241.19522	4.5
243.21001	9.7
244.21652	0.6
245.19066	1.8
245.22670	0.9
253.19453	1.9
255.20976	7.4
257.22589	4.2
259.20544	1.1
261.22107	0.8
267.21072	0.8
269.22580	6.0
271.24200	1.1
281.22684	1.1
283.24136	2.3
285.22211	0.6
287.23782	0.5
295.24139	2.5
297.25647	2.1
309.25879	0.9
313.25336	0.8
363.30725	0.6
365.32053	6.1
366.32523	0.7
405.35065	22.0
406.35626	1.1
421.34772	0.6
423.36130	100.0
424.36356	6.3
441.37125	5.2
581.38330	7.3
583.39996	1.0
599.39276	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	939.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05412	19.4
69.06977	19.5
70.06506	100.0
71.06831	4.2
71.24171	2.9
72.08072	43.5
73.02813	16.4
76.55834	4.9
77.74072	3.3
79.05421	4.1
81.06963	35.5
83.06023	6.1
83.14700	3.3
84.04427	37.8
84.08069	85.4
85.02820	45.9
86.09626	49.6
87.05510	7.0
88.03909	6.0
91.03869	7.6
91.05380	22.9
93.06966	32.9
95.01260	29.1
95.04890	4.4
95.08535	69.6
96.66160	3.3
97.02835	25.0
101.07085	5.6
102.05453	7.2
105.06984	33.9
107.08542	47.8
109.10109	43.0
110.07095	26.2
111.08057	3.9
113.02293	4.2
119.04852	5.3
119.08549	39.4
120.08066	58.9
121.10111	41.1
123.11624	8.6
127.03887	7.1
129.10197	46.1
131.08543	6.5
133.10117	28.9
135.11641	24.2
136.07552	27.2
141.01807	62.9
141.10188	5.1
143.08461	4.3
145.10077	22.3
147.11649	24.6
149.13197	15.3
155.08125	3.6
156.04982	3.8
157.10007	6.0
159.02834	7.2
159.07635	5.4
159.11635	21.9
161.13232	32.6
163.14763	15.7
171.11617	5.4
173.13167	20.8
175.14757	23.2
177.16351	6.5
179.26390	3.6
184.07350	4.9
185.09100	4.3
185.13109	4.3
187.14793	15.0
189.16336	15.3
191.17854	5.4
195.11211	4.4
199.14778	5.4
201.16350	21.2
203.17888	27.9
205.15785	7.7
205.19499	5.7
215.17850	4.8
217.19528	5.4
219.17284	4.6
229.19432	7.9
243.21103	5.9
255.20903	13.3
269.22604	6.1
284.11984	4.2
364.57709	4.4
405.34921	18.8
423.36115	97.5
424.36115	7.5
441.37109	6.4
581.38013	5.8
599.39294	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	939.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05420	22.9
69.03352	23.8
69.06958	6.1
71.04900	38.8
73.02820	6.3
76.95614	6.0
79.05403	14.0
81.06969	34.4
83.04926	11.3
85.02839	56.4
86.09618	32.5
91.05411	11.2
93.06962	26.9
95.01263	8.5
95.08530	71.8
97.02823	10.5
105.06960	37.6
107.08559	41.7
109.10095	35.3
115.03905	5.9
116.73741	6.3
119.08538	24.0
121.10081	26.5
123.11645	13.9
124.99979	13.9
129.05351	6.3
131.08595	8.5
133.10086	12.2
134.99457	5.4
135.11668	12.8
141.01805	53.6
145.10104	25.3
147.11670	29.4
149.13251	7.4
159.11618	13.3
161.13228	26.0
171.11664	5.7
173.13214	11.0
175.14708	8.4
177.16394	10.5
184.07285	55.6
187.14798	13.8
189.16380	7.1
201.16376	21.8
203.17928	29.4
217.19403	6.1
229.19470	8.6
241.19489	5.6
243.20871	7.9
244.99881	6.7
245.79337	6.8
255.20992	6.3
257.22687	7.4
269.22495	7.5
321.64899	5.7
332.14270	6.9
405.34787	22.9
423.36075	100.0
633.55536	6.5
646.48419	6.1
913.08728	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	941.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05426	10.9
69.03339	2.8
69.06985	10.1
70.06503	16.7
71.01267	7.2
71.84835	0.5
72.08073	6.4
72.35359	0.6
73.02821	8.5
74.05991	1.3
75.04387	9.1
77.61136	0.5
79.05400	7.9
81.03342	1.4
81.06973	27.8
81.07454	1.1
82.06518	0.6
83.05989	0.8
83.08542	4.7
84.04421	3.8
84.08076	5.6
85.02820	32.4
86.09622	8.2
87.05481	0.8
88.03915	0.7
91.03881	12.2
91.05402	9.3
93.06966	22.2
95.01250	21.5
95.04887	1.0
95.08527	54.6
97.02818	11.6
97.10080	2.7
99.00773	0.9
99.04382	1.2
101.02303	1.1
103.03862	7.0
105.06971	26.6
107.08529	37.2
109.02807	0.7
109.06477	1.1
109.10097	38.2
110.07098	10.3
110.10435	0.7
111.08035	4.8
111.11670	1.1
113.02333	3.8
115.03877	0.7
117.06959	2.2
119.08528	30.9
120.08054	7.6
120.22446	0.6
121.10094	27.6
122.06985	0.8
123.00739	0.6
123.07882	0.6
123.11645	17.7
127.03858	10.2
129.06944	0.9
129.10199	4.1
131.03377	2.2
131.08531	8.8
133.10089	27.1
133.50029	0.5
135.11658	21.1
136.07552	1.0
136.12009	0.6
137.09639	0.7
137.13214	3.9
139.11148	2.8
141.01794	47.4
143.08554	3.7
145.04932	7.9
145.10092	15.5
147.11664	23.2
149.13220	15.6
151.11082	0.9
151.14745	0.8
157.10066	5.6
158.10770	0.9
159.02872	5.0
159.07684	0.7
159.11664	17.5
161.13214	23.3
163.05974	10.0
163.14771	9.7
165.12621	0.8
169.10051	1.1
171.11613	6.1
172.12341	0.8
173.13217	10.9
175.14761	15.0
177.16353	14.5
179.17879	2.4
183.11551	0.6
185.13210	3.9
187.14740	12.9
189.16324	15.0
191.17914	6.7
197.13126	0.7
199.14723	7.0
201.16341	19.4
202.16641	1.1
203.17918	15.8
205.15863	6.4
205.19495	3.6
207.17352	1.0
211.14835	1.0
213.16324	4.6
215.17944	8.8
217.15869	3.7
217.19449	12.4
219.17401	3.4
227.17851	6.8
229.19476	9.0
231.17476	1.2
231.20929	1.0
233.18906	0.7
241.19414	3.7
243.20993	6.2
245.19009	2.2
253.19415	2.1
255.20894	6.5
257.22531	5.1
259.20529	0.8
261.22131	0.8
267.20996	1.3
269.22592	7.0
271.24057	1.3
281.22540	1.0
283.24100	2.1
295.24063	2.2
297.25745	1.1
309.25681	0.9
313.25241	1.1
317.02393	0.6
365.31903	8.2
393.35123	0.7
405.35031	21.4
406.35181	0.8
421.34351	1.0
423.36096	100.0
424.36475	7.7
441.37137	2.8
511.37271	2.1
581.37982	6.4
599.39349	9.5
600.39539	0.8
876.23352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.51
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05435	14.4
67.62457	1.5
68.04973	1.7
69.03349	13.3
69.06988	11.0
70.06509	29.7
71.01258	2.8
71.04910	35.3
71.06847	1.4
72.08076	21.2
73.02824	15.4
74.96356	1.4
75.04404	2.7
79.05407	8.6
81.03309	2.1
81.06979	24.1
83.04904	23.8
83.06022	2.1
83.08549	8.6
84.04433	6.8
84.08076	26.3
85.02834	67.0
86.09625	20.5
86.29860	1.3
87.04372	2.0
91.05410	14.5
93.06973	23.3
95.01262	21.3
95.04923	2.7
95.08538	49.5
96.12113	1.4
97.02830	18.7
97.10130	2.3
99.00748	2.7
99.04391	2.0
101.07076	1.4
102.05495	1.8
103.05409	1.4
105.06969	18.9
107.08548	36.2
109.10116	33.9
110.07110	8.2
111.04386	10.8
111.08048	6.8
113.02328	3.0
115.03895	6.1
119.04887	1.7
119.08546	29.2
120.08076	14.3
121.10114	27.6
123.11675	12.4
123.43547	1.4
127.70978	1.5
129.05460	11.9
129.10194	14.1
131.08549	6.2
133.10097	26.9
135.11676	17.7
136.07567	8.3
137.13255	2.3
141.01805	54.7
141.56947	1.5
145.10130	14.0
147.06541	1.8
147.11681	25.5
149.13235	15.7
157.10107	2.7
159.02875	6.8
159.11676	19.8
161.13220	16.3
163.14746	11.0
171.11572	2.2
173.13220	15.0
175.14816	8.4
177.03900	3.0
177.16364	14.2
184.07269	5.6
185.13249	3.6
187.14810	12.7
189.16359	16.1
191.17975	3.2
193.16014	1.8
195.17456	1.6
201.16367	16.6
203.17915	23.4
213.16496	3.1
215.17882	13.0
217.19473	11.3
227.17947	2.6
229.19530	9.8
241.19479	3.1
243.21040	8.5
255.21072	3.4
257.22510	2.9
267.21140	2.3
269.22623	7.1
275.19968	6.0
279.10797	2.7
283.24326	1.8
306.27979	2.3
322.20169	1.7
329.04166	1.7
365.31805	5.2
405.35104	21.1
423.36163	100.0
424.36365	9.1
451.35678	10.2
469.36639	20.2
505.98837	1.5
581.38177	15.1
599.38763	3.3
627.38684	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	941.51
Annotation	Cephalostatin 14
Peak:m/z	Relative Intensity
66.43262	0.7
67.05435	13.0
67.61095	0.6
69.03347	3.6
69.06992	11.7
70.06509	26.8
71.01270	9.2
71.06840	0.7
72.08063	8.5
73.02831	10.7
73.08384	0.8
74.05996	1.3
75.04400	10.7
77.99449	0.7
79.05415	9.4
81.03345	0.9
81.06979	27.6
82.07314	0.6
83.01253	0.7
83.06028	1.1
83.08543	6.0
84.04427	4.7
84.08065	16.1
85.02831	36.6
85.03349	1.2
85.08416	0.7
86.09633	10.5
88.03909	1.1
91.03883	13.1
91.05404	10.7
93.04457	1.1
93.06972	26.8
95.01263	23.6
95.04896	1.5
95.08530	57.4
97.02821	17.9
97.10107	4.3
99.00753	2.8
103.03891	6.1
103.05395	0.9
105.06978	28.5
105.07661	1.3
106.07257	0.7
107.08539	38.0
108.64416	0.7
109.02821	3.8
109.10108	43.9
109.10865	1.5
110.07121	9.3
110.10461	0.8
111.08034	6.0
111.11652	1.6
112.08710	0.8
113.02316	3.6
113.07119	0.8
115.08663	0.6
117.06967	3.8
119.08539	33.5
120.08062	13.0
120.08840	1.2
121.10099	31.3
123.00764	0.8
123.11652	17.4
125.09637	0.8
127.03889	10.7
129.10208	7.2
131.03371	1.5
131.08543	10.4
133.10101	29.6
135.11664	22.1
136.07568	4.6
136.12048	0.7
137.09651	0.7
137.13232	4.2
139.11183	1.5
141.01808	53.1
141.10234	0.8
141.57913	0.7
143.08582	2.8
145.04927	9.1
145.10103	19.7
147.11667	27.6
149.13235	19.3
151.11189	1.5
155.08270	1.0
157.10094	6.0
159.02835	6.5
159.11658	20.7
161.13216	25.7
163.05963	9.7
163.14815	9.7
165.12747	1.3
169.10085	1.5
171.11650	4.4
173.13203	15.0
175.14786	15.4
177.03923	1.0
177.12703	0.8
177.16331	14.3
179.17850	0.9
183.11589	1.1
185.13213	5.4
187.14801	12.1
189.16333	15.4
191.17924	8.6
193.15933	2.9
197.13133	1.3
199.14787	6.3
201.16339	17.5
202.16725	1.0
203.17932	18.3
205.15881	6.2
205.19496	4.7
207.17447	2.8
211.14774	1.6
213.16379	3.9
215.17900	9.7
217.15869	5.1
217.19437	15.7
219.17435	4.1
226.16925	0.8
227.17906	8.5
229.19460	10.5
231.21034	1.3
233.18976	0.8
239.17973	1.3
241.19518	5.0
243.21086	7.1
245.19081	1.3
245.22656	0.8
247.20581	0.9
253.19537	1.3
255.20950	6.1
257.22620	6.1
267.21133	1.2
269.22470	6.2
271.24030	1.4
281.22620	0.9
283.23932	1.3
295.24234	1.1
313.25021	1.7
347.03372	0.7
365.32043	7.0
393.34775	0.9
405.35071	24.9
406.35349	1.2
421.34589	1.1
423.36139	100.0
424.36374	7.2
441.37305	3.2
511.37866	1.5
575.26471	0.9
581.38239	6.6
599.39258	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	941.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05428	10.4
69.03349	3.7
69.06988	7.0
70.06502	1.7
71.01276	2.9
71.04910	46.5
72.08066	0.6
73.02831	8.0
75.04395	5.6
79.05403	6.6
81.03350	2.3
81.06979	23.8
83.01250	0.6
83.04899	17.8
83.08540	4.5
83.13042	0.2
84.04445	0.5
84.08065	1.9
85.02829	92.0
85.06448	0.4
86.03174	0.5
86.09616	0.5
87.04391	1.9
91.03880	6.6
91.05403	7.7
93.06976	26.6
94.07330	0.4
95.01260	25.6
95.04900	2.5
95.08536	56.1
96.01582	0.3
96.08882	0.5
97.02826	10.3
97.06464	7.7
97.10087	2.3
99.00751	2.1
99.04375	1.7
99.08012	1.4
101.02313	1.6
101.05946	0.4
103.03883	3.4
103.05394	0.4
105.06261	0.6
105.06976	19.9
107.04881	0.5
107.08541	34.1
108.08842	0.5
109.02834	1.9
109.06486	2.7
109.10107	29.5
110.07043	0.5
110.10500	0.4
111.04388	11.2
111.08031	9.3
111.11677	0.7
113.02312	2.9
113.05959	0.7
115.03882	0.7
117.06276	0.3
117.06952	2.2
119.08539	36.2
120.08047	1.4
120.08799	0.4
121.06545	0.5
121.10102	30.4
122.10465	0.4
123.00753	0.6
123.04328	0.3
123.08034	1.9
123.11663	12.0
124.12031	0.3
125.09603	2.8
127.03898	4.1
128.06209	0.4
129.05446	16.4
129.06995	1.2
129.10190	0.6
130.07751	0.5
131.03372	1.3
131.08537	14.0
133.10100	27.3
134.10410	0.4
135.11667	21.8
136.07549	0.5
136.12027	0.6
137.09586	1.2
137.13234	2.7
139.11159	15.2
141.01807	51.6
142.02138	0.6
142.07744	0.4
143.08545	5.6
144.09309	1.2
145.04941	3.4
145.10107	17.9
147.06505	7.5
147.11667	21.0
149.09610	0.5
149.13237	24.2
151.11169	3.0
151.14767	0.7
153.12753	1.2
155.08501	1.3
156.09305	0.6
157.10112	7.5
158.10884	0.4
159.02872	8.0
159.11667	25.5
160.12115	0.4
161.09648	0.4
161.13222	21.8
162.13591	0.4
163.05994	5.3
163.11150	5.8
163.14780	8.5
165.07626	0.6
165.12675	3.4
167.14275	0.5
169.10034	2.5
170.10930	0.7
171.06548	0.5
171.11662	8.4
172.12274	0.6
173.13228	15.6
174.13731	0.3
175.11212	0.5
175.14798	17.9
176.15286	0.5
177.03944	1.4
177.12718	3.2
177.16362	11.4
179.14249	0.6
183.11700	2.4
184.12413	1.2
185.13217	7.9
187.13098	0.5
187.14790	14.4
189.12737	0.6
189.16356	10.1
191.14268	4.4
191.17896	4.2
193.15900	2.8
195.11534	0.5
195.17410	2.6
197.13242	3.4
199.14783	9.2
201.16357	20.2
202.16663	0.6
203.14301	2.7
203.17932	11.4
205.15849	7.6
205.19510	0.5
207.17429	4.9
209.13266	0.4
210.36334	0.3
211.14749	2.4
213.07536	0.4
213.16362	8.5
215.14401	1.0
215.17911	14.7
216.18257	0.5
217.15968	2.3
217.19473	4.2
219.17422	15.2
220.17638	0.3
221.12999	0.3
221.19022	0.5
223.14746	0.6
225.16316	2.9
227.17928	12.3
229.15877	0.5
229.19484	3.8
231.17354	4.4
231.21159	0.4
233.19029	2.4
237.16423	0.4
239.17949	3.4
241.19447	2.4
243.17410	1.8
243.20978	1.8
245.18964	21.6
246.19307	0.4
247.20462	0.5
251.17845	0.6
253.19478	3.1
255.08578	1.4
255.21031	4.7
257.18976	2.7
257.22635	0.5
259.20551	3.8
261.22000	0.5
265.19522	0.5
267.20969	2.4
269.06531	0.4
269.18979	1.2
269.22626	3.2
271.20526	3.7
271.24124	0.4
273.09851	0.4
273.22086	5.8
279.20975	0.6
281.22678	2.0
283.20563	1.6
283.24091	0.5
285.22061	4.9
287.07611	1.6
287.23666	1.5
295.24136	1.8
297.22095	1.3
299.23642	3.5
301.25165	0.4
305.08615	3.9
307.24139	0.4
309.11813	1.7
309.25668	0.7
311.23679	2.0
313.25232	2.9
321.08258	0.5
323.09622	0.5
325.25247	0.6
327.26764	1.9
339.09253	0.5
339.26761	0.4
351.18219	0.4
361.28766	0.4
363.30234	2.5
365.19449	1.1
365.28192	0.5
379.29959	0.4
381.31448	8.5
382.31921	0.4
391.33649	0.3
403.33411	4.6
409.34451	4.7
421.34583	51.6
422.34897	4.2
439.35641	100.0
440.36026	8.4
457.36804	2.9
549.39026	0.4
579.36707	2.2
597.37720	15.6
598.37762	1.4
615.38397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.526
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05431	16.3
69.03359	4.7
69.06992	12.7
70.06508	67.7
71.04909	48.0
71.05267	3.0
72.08070	26.2
73.02834	10.7
73.07644	2.0
74.05987	7.7
75.04414	3.9
79.05411	11.5
81.06976	37.9
83.04510	1.9
83.04885	15.0
83.08550	9.8
84.04408	14.9
84.08060	58.4
85.02826	100.0
86.09625	30.1
87.05507	4.5
88.03916	2.5
91.03889	4.2
91.05409	20.8
93.06979	31.1
94.03901	1.9
95.01260	28.6
95.08530	83.5
97.02835	10.5
97.10051	2.3
99.04383	1.9
102.05524	2.3
103.03889	2.9
105.06970	32.0
107.08528	54.6
107.09203	2.8
109.02807	2.7
109.06416	2.5
109.10096	60.9
110.07111	18.8
111.04415	9.5
111.08054	3.4
111.11742	2.3
111.12615	1.9
113.02364	2.2
117.07021	4.0
118.07269	2.2
119.08539	42.0
120.08054	34.0
121.10101	50.9
123.11661	19.5
127.03902	9.9
127.08667	2.6
128.47290	1.9
129.05443	15.8
129.10204	33.7
131.08507	14.6
133.10083	37.7
135.11655	34.7
136.07553	17.4
137.09531	2.9
137.13229	4.1
139.11168	4.2
141.01801	71.2
141.10179	3.6
143.11752	1.9
145.10103	21.6
147.06500	3.1
147.11670	37.6
149.13243	24.2
151.11234	2.9
153.06676	2.1
157.10031	2.2
159.02864	9.9
159.11661	18.0
161.13216	27.6
163.05989	4.1
163.14795	26.2
171.11642	4.7
173.13181	18.2
175.14793	21.8
177.16293	14.3
185.13159	3.5
187.14789	12.8
189.16328	16.6
191.17937	10.5
195.17384	2.5
199.14771	3.9
201.16354	19.3
203.17908	34.2
205.19652	3.8
213.16333	3.9
215.17960	13.3
217.19507	13.2
219.17426	3.1
221.18968	3.1
227.17926	3.3
229.19456	16.3
233.18971	2.8
243.21138	4.7
243.42131	2.2
247.20569	9.6
255.21063	2.5
257.22491	3.5
283.24069	1.9
305.08548	4.0
329.28500	2.1
333.50034	2.1
365.31992	2.3
383.33090	3.6
405.34915	14.2
423.36154	77.4
424.36157	3.0
441.37231	75.7
442.37485	2.5
480.56213	2.3
523.98407	2.1
581.38513	6.6
599.39288	21.3
808.53815	2.2
951.99658	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	943.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05428	16.5
69.03345	4.4
69.06991	12.1
70.06514	27.3
71.01273	2.1
71.04911	53.0
72.08076	9.0
73.02828	10.1
74.05986	1.4
75.04391	8.0
79.05405	9.1
81.03343	1.9
81.06980	38.7
83.04907	17.6
83.08515	6.9
84.04435	6.7
84.08070	16.3
85.02830	100.0
85.06481	1.0
85.08413	1.0
86.09619	11.9
87.04369	2.1
87.05517	1.7
90.38999	0.8
91.03912	7.5
91.05402	10.3
92.10946	1.8
93.04398	1.1
93.06976	30.2
95.01259	26.9
95.01859	1.4
95.04877	3.6
95.08533	82.4
96.08861	1.1
97.02821	13.6
97.06447	1.2
97.10104	2.0
99.00732	1.8
99.05534	1.0
99.07997	1.1
102.05476	1.8
103.03889	2.0
103.05415	1.2
105.06980	26.2
107.08537	50.8
108.08837	1.2
109.02831	5.6
109.06460	1.9
109.10111	57.2
110.07116	11.5
110.09682	1.1
110.10416	1.2
111.04392	11.5
111.08031	12.1
111.11674	1.6
113.02328	2.4
115.03937	1.0
116.38668	1.0
117.06963	3.8
117.10832	0.8
119.04881	1.0
119.08542	45.3
120.08066	11.6
121.10104	43.9
123.00702	1.0
123.11679	19.2
125.09578	1.6
127.03863	6.0
129.05450	13.7
129.10188	8.9
131.03391	1.4
131.08545	10.3
133.10106	37.2
134.10399	1.5
135.11665	28.0
137.09602	1.6
137.13214	6.7
139.11148	6.1
141.01810	66.3
143.08533	4.2
145.04895	4.1
145.10109	17.0
147.06509	7.6
147.11664	29.1
149.13252	24.0
151.11185	1.6
157.10069	5.5
159.02867	8.7
159.11658	24.5
160.12273	1.1
161.13225	30.0
163.06042	6.9
163.14778	18.0
165.12685	3.9
167.08095	1.3
171.11667	4.6
173.13229	18.5
175.14804	21.2
177.16370	14.6
179.17928	1.1
185.13243	4.8
187.14787	15.9
189.16356	18.2
191.17892	8.3
193.15854	2.0
195.17381	2.4
199.14841	5.5
201.16376	18.6
203.17921	30.8
203.38733	1.0
205.15866	7.4
205.19464	1.9
207.17479	4.8
213.16315	4.4
215.17914	15.9
217.19540	13.5
219.17430	8.8
221.18961	4.7
227.17868	6.7
229.19446	17.9
231.21051	2.0
233.18970	5.5
235.20486	1.6
241.19476	4.6
243.20966	5.2
245.18954	1.5
247.20451	7.1
255.21014	3.4
257.22571	5.0
261.22037	4.0
267.20859	1.8
269.22684	5.2
271.24161	1.4
275.23651	1.8
283.24164	2.3
285.22180	1.2
285.25815	1.1
287.23795	1.7
297.25705	1.8
301.25525	1.0
305.08557	2.4
309.11572	1.8
311.27344	1.5
313.25345	1.6
315.26669	1.4
335.23026	1.1
335.27271	1.4
365.31769	4.5
383.33060	3.9
405.35159	11.6
406.34995	1.9
411.36066	1.1
423.36145	82.6
424.36243	9.4
441.37186	65.9
442.37436	5.5
581.38397	8.8
599.39520	18.3
600.39618	1.5
617.40759	1.3
738.10992	1.2
797.46460	1.1
873.05597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05415	16.2
69.03354	5.5
69.06978	15.4
70.06512	84.3
71.04907	54.1
72.08073	43.6
73.02811	4.6
74.05974	3.4
75.04397	4.8
79.05396	12.2
81.06980	41.9
83.04881	13.4
83.08520	11.5
84.04421	24.1
84.08062	80.3
85.02827	100.0
86.09629	53.5
88.03915	3.7
91.03913	5.9
91.05396	24.8
93.06974	34.6
95.01252	23.3
95.04894	3.2
95.08532	81.1
96.08052	6.1
97.02843	6.3
97.10091	2.8
102.05472	5.4
103.03857	3.7
105.06972	26.7
107.08540	57.8
109.06458	3.3
109.10107	53.9
110.07133	26.3
111.04400	6.1
111.08039	15.3
111.09084	2.5
111.86906	3.1
113.02261	3.4
114.36616	3.5
117.06967	3.7
119.08524	41.7
120.08064	43.5
121.08402	3.0
121.10069	39.3
123.11641	19.3
127.03847	5.5
127.04940	2.9
127.78357	2.9
129.05415	17.0
129.10201	37.7
131.08510	6.0
133.10094	43.3
135.11650	33.4
136.07568	28.0
137.13223	4.7
137.58749	3.6
141.01797	61.0
141.10170	3.3
145.10083	15.4
147.06531	4.4
147.11667	26.7
149.13240	20.8
155.08188	4.9
155.11833	3.1
157.09825	2.7
159.02847	7.1
159.10498	3.9
159.11609	21.5
161.13217	35.6
163.14819	30.2
169.13239	4.1
171.11543	3.4
173.13217	6.7
175.14821	20.8
177.16359	14.2
183.11279	3.3
184.07286	4.8
186.22006	3.3
187.14760	18.8
189.16304	22.5
191.17946	4.8
199.14833	5.4
201.12247	3.5
201.16348	17.6
203.17941	29.7
205.15819	3.7
207.17511	6.5
215.17923	20.3
217.19427	11.9
219.17381	5.6
221.18991	4.3
227.17924	4.9
229.19481	17.2
233.19009	6.2
243.21034	3.2
245.56027	3.3
255.06384	3.8
257.22574	6.0
287.23599	3.7
405.34924	13.0
408.61310	3.4
423.36139	67.4
424.36456	4.2
425.37772	5.3
441.37155	67.6
442.37494	3.8
581.36737	3.9
599.39038	18.5
741.73029	3.4
777.49091	3.5
849.82574	4.2
966.27924	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	943.526
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05427	15.4
69.03348	3.0
69.07003	17.4
70.06515	26.0
71.01279	1.5
71.04913	52.0
72.08077	2.3
73.02826	8.1
75.04408	8.3
79.05417	10.3
81.03330	1.6
81.06974	36.6
81.51122	1.3
83.04901	17.5
83.08542	8.3
84.04435	9.6
84.08083	17.2
85.02834	100.0
86.09624	8.9
87.04423	1.5
91.03879	6.8
91.05386	10.0
93.06974	27.0
95.01263	33.3
95.04904	1.9
95.08543	81.9
96.08866	1.6
97.02838	12.9
97.06448	1.6
97.10122	1.5
99.00785	1.3
102.05508	1.3
105.06979	24.3
107.08549	47.1
109.02844	2.9
109.09397	2.4
109.10118	51.1
110.07140	9.2
111.04391	8.8
111.08053	9.2
111.11658	2.2
113.02325	5.5
117.07021	2.2
119.08540	40.6
120.08060	2.7
121.10107	41.4
123.11680	16.3
125.09589	1.5
125.48833	1.3
127.03850	6.3
129.05455	13.3
129.10191	7.7
131.03394	2.1
131.08545	7.9
132.08115	1.4
133.10115	36.9
135.11679	30.6
136.07539	2.4
137.09599	1.7
137.13258	5.7
139.11197	2.6
141.01822	61.5
141.02934	2.0
143.08472	2.8
145.04948	2.4
145.10107	18.4
147.06520	6.6
147.11662	26.4
149.13245	19.9
157.10121	7.4
159.02823	9.5
159.11693	23.4
161.13225	27.3
163.06006	5.3
163.11150	2.3
163.14792	17.4
165.12703	1.9
171.11649	2.7
173.09212	1.6
173.13210	17.3
175.14777	21.9
177.03955	2.2
177.16331	11.1
185.13232	2.6
187.14815	12.0
189.16335	17.3
191.17915	7.0
193.15828	2.4
195.17447	2.2
199.14751	5.6
201.16345	13.0
203.17940	29.8
205.15843	2.5
207.17427	5.4
211.14827	1.5
213.16367	2.2
215.17943	12.4
217.19534	13.8
219.17456	9.2
221.18994	6.0
227.17921	5.6
229.19472	14.8
231.17427	2.0
231.21022	1.7
233.18944	6.0
241.19501	2.2
243.21082	6.0
247.20522	6.3
255.20918	2.5
257.22574	2.5
269.22629	4.6
297.25455	1.7
305.08594	2.9
309.12012	1.7
323.09494	1.6
365.31927	2.5
383.32962	5.2
405.35001	14.1
411.35959	1.7
423.36182	78.9
424.36505	3.2
441.37308	64.5
442.37509	6.0
467.99475	1.3
523.80273	1.4
581.38245	5.5
599.39508	18.3
600.39221	2.4
971.12531	1.7
971.68646	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.526
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05131	0.8
67.05428	15.2
69.03342	4.0
69.06987	14.1
70.06478	0.8
70.48969	0.6
70.49409	0.6
71.01249	3.6
71.04907	55.3
73.02828	8.6
75.04396	6.9
79.05402	11.2
81.03326	2.7
81.06973	34.7
83.01249	1.0
83.04443	0.9
83.04900	17.9
83.08543	8.0
85.02826	100.0
85.50933	0.6
85.61981	0.6
87.04387	3.3
91.03875	7.4
91.05399	10.3
93.06974	27.2
95.00665	1.4
95.01250	28.8
95.04874	3.2
95.08531	80.1
96.08846	1.2
97.02824	10.5
97.10085	3.0
99.00738	2.7
99.04377	3.6
101.02301	1.4
101.05937	1.2
103.03883	4.8
105.06969	29.0
107.08537	53.1
109.02850	1.3
109.06453	3.3
109.10105	55.1
110.10442	0.7
111.04395	12.3
111.08029	10.2
111.11699	1.5
113.02299	4.6
117.06960	1.6
119.08532	40.5
120.08815	1.1
121.10096	41.5
123.08055	0.8
123.11649	17.8
125.09571	1.6
127.03866	4.7
129.05453	16.5
131.03345	1.0
131.08524	10.8
133.10091	40.7
134.10384	0.8
135.11653	28.7
137.09546	0.7
137.13228	7.3
139.11159	6.0
141.01799	66.8
142.02206	0.8
143.08514	4.5
144.95529	0.7
145.04929	4.1
145.10100	19.3
145.11232	1.1
147.06503	8.4
147.11664	32.9
149.13235	24.8
151.11092	1.2
151.14758	0.8
153.12721	0.9
157.10071	5.4
159.02847	9.5
159.11650	21.4
160.12323	1.1
160.72853	0.7
161.13219	32.4
162.13499	0.6
163.05952	6.1
163.11165	1.4
163.14769	20.5
165.12708	4.2
165.16327	1.0
171.11652	5.6
173.13222	17.0
175.14781	23.5
177.03867	1.4
177.12697	1.1
177.16348	16.5
179.14404	0.7
185.13219	4.6
186.13878	0.7
187.14767	16.7
189.16341	22.2
191.14183	1.3
191.17924	8.8
193.15822	2.8
195.17352	4.9
197.13206	1.2
199.14845	5.5
201.16359	18.5
203.17918	34.4
204.18178	0.9
205.15775	3.8
205.19469	1.6
207.17444	5.4
213.16312	4.5
215.17926	15.3
217.15976	1.5
217.19473	16.0
218.19797	0.9
219.17418	10.5
221.18884	8.0
227.17940	6.2
229.19482	18.1
231.17464	1.3
231.21048	1.5
233.18861	4.9
235.20421	1.1
239.17885	0.7
241.19380	2.7
243.21112	7.6
245.18948	3.0
247.20549	8.4
255.08504	1.3
255.20946	3.0
257.22574	4.5
261.21985	1.5
267.21014	1.0
269.22577	4.6
271.20782	0.9
271.24194	1.6
273.21985	1.5
275.23660	1.0
281.22739	0.9
283.24200	1.6
285.22177	1.0
285.25760	0.8
287.07620	1.0
287.23596	1.5
295.24100	1.0
297.25705	3.5
301.25146	1.3
305.08624	4.5
309.11621	2.6
311.27072	1.1
313.25031	1.1
315.26587	3.1
323.09457	1.4
325.28503	0.9
329.28156	1.2
365.31839	3.9
369.31424	1.1
383.32870	5.5
405.35077	13.0
406.35226	0.9
411.35928	1.4
423.36121	78.8
424.36472	8.7
441.37173	84.9
442.37372	7.8
442.73599	0.9
581.37830	4.4
582.38861	0.9
599.39368	20.7
600.38965	3.0
617.40063	0.9
696.97876	0.8
797.47131	0.8
925.87457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05429	10.5
69.03344	4.1
69.06987	14.6
70.02882	1.1
70.06510	36.2
70.35152	0.6
71.01298	2.7
71.04910	53.4
71.06848	0.8
71.08543	1.1
72.08071	19.6
73.02824	6.8
74.05984	6.6
75.04392	5.7
77.73414	0.7
79.05003	0.6
79.05425	6.4
81.03335	1.0
81.06978	35.8
83.04903	20.6
83.05398	0.7
83.06020	4.0
83.08540	8.3
83.98743	0.7
84.04436	9.2
84.05322	0.6
84.08068	24.4
85.02828	100.0
85.08385	1.3
86.03134	0.7
86.05981	1.5
86.09625	19.1
87.04387	0.7
87.05538	2.6
88.03892	0.9
91.03878	9.0
91.05392	9.3
92.10933	0.7
93.06975	18.4
95.01261	7.8
95.04869	1.0
95.06045	0.9
95.08536	59.9
96.08865	1.3
97.02823	11.6
97.10094	3.6
99.00733	1.0
99.04379	1.1
99.05473	0.8
101.05940	0.9
101.07118	1.0
101.38882	0.8
102.05484	0.9
103.03870	3.3
103.05395	1.5
103.47345	0.8
105.06983	11.6
107.08543	29.0
109.02827	3.3
109.10114	33.7
109.10873	1.3
110.07111	18.6
110.10459	0.9
111.04393	15.6
111.09941	0.8
113.02291	1.3
117.06967	0.9
119.08545	19.5
120.08057	11.6
120.08842	1.1
121.09220	0.9
121.10092	28.4
122.07142	0.9
122.10480	1.2
123.07999	0.8
123.11662	17.2
124.12012	1.1
127.03881	7.5
127.04855	1.3
127.08641	0.9
129.05443	23.6
129.10196	12.3
131.03310	0.8
131.08498	8.6
133.10097	15.0
134.10445	0.9
135.11656	20.6
136.07565	5.4
137.09683	0.7
137.13228	17.3
139.11140	1.4
141.01814	30.2
141.06659	0.8
141.10184	1.1
143.11757	1.1
144.09169	0.8
145.04964	4.7
145.10104	6.5
146.08086	0.7
146.10602	0.7
147.06509	12.7
147.11688	11.9
149.09384	0.7
149.13229	18.5
149.77870	0.8
150.13518	0.7
151.14824	1.5
155.08160	0.8
155.11774	1.1
157.09976	1.3
159.02884	5.3
159.11667	9.3
161.13226	12.9
163.06006	7.5
163.11101	1.2
163.14764	10.2
169.09711	0.8
171.11575	1.8
173.13245	6.8
175.14760	10.0
177.04027	1.0
177.12778	0.9
177.16359	10.7
183.14909	1.2
184.07251	1.8
185.09068	0.7
185.13181	1.5
187.14716	6.6
189.16345	9.3
191.17903	10.1
197.13115	0.7
199.14798	1.1
201.16286	7.2
203.17889	10.4
204.18246	1.0
205.15889	1.3
205.19502	10.6
207.17477	1.7
209.71832	0.9
211.14374	0.9
213.08771	0.8
213.16280	1.2
215.17915	9.0
217.19482	8.7
218.19641	0.8
219.17342	1.7
227.18027	1.1
229.19447	8.8
231.21104	3.1
233.18985	1.6
241.19431	0.9
243.21028	3.4
247.20522	1.7
255.08604	3.3
255.20955	1.1
257.22589	4.5
269.06470	1.4
269.22577	3.1
273.09726	0.8
275.23700	1.6
287.07492	1.8
287.23694	1.4
305.08621	6.9
309.11807	6.1
321.07980	0.9
323.09747	1.5
339.09283	1.6
353.31955	1.0
353.46170	0.7
407.36761	13.4
423.36102	3.0
424.36444	2.8
425.37723	41.9
426.38025	3.4
441.36987	1.5
442.37531	1.6
449.14188	0.8
465.66443	0.8
608.09552	0.8
634.96814	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5982
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05411	0.4
69.06985	0.3
70.06496	0.4
71.07297	2.8
71.08533	0.5
81.06950	0.3
84.08016	0.2
86.09628	37.9
92.00629	0.3
95.08510	0.4
98.98409	3.0
99.42230	0.2
104.10677	3.3
124.99965	26.7
134.04794	0.3
143.01068	0.3
184.07307	100.0
185.07657	0.5
313.27393	0.5
378.50317	0.3
378.64975	0.3
478.32813	1.8
496.33923	19.1
497.34210	0.5
566.04669	0.3
770.99756	0.3
796.78796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05428	13.5
69.03336	12.8
69.07001	16.5
70.06513	36.8
70.56628	2.3
71.01247	3.5
71.04895	9.1
72.08072	18.9
72.74614	2.1
73.02833	29.9
74.05991	3.7
79.05408	12.3
81.02599	2.1
81.03317	4.1
81.06980	37.9
83.04915	3.7
83.05988	2.3
83.08542	4.1
84.04441	7.5
84.08064	24.1
85.02833	69.9
86.03159	2.0
86.09626	18.0
91.03895	19.1
91.05403	12.2
93.06986	34.2
95.01254	40.3
95.04920	3.5
95.08535	74.7
96.08854	2.9
97.02840	28.9
97.10089	3.0
102.05489	3.2
103.03871	3.9
105.06987	38.0
107.08550	45.5
109.02809	3.3
109.10113	46.7
110.07098	27.5
111.08042	15.2
113.02320	9.0
115.03907	4.6
117.06902	2.4
119.08558	44.4
120.08052	9.3
120.49110	1.9
121.10108	46.1
123.11661	19.4
125.09592	4.5
127.03850	12.8
129.10202	9.9
131.03366	2.3
131.08522	13.2
133.10107	35.6
135.11687	29.9
136.07556	2.4
137.09518	2.2
139.11121	3.5
141.01813	100.0
143.08534	3.6
145.04950	4.5
145.10126	31.5
146.35579	2.1
147.11664	38.5
149.13263	32.7
151.11243	2.8
157.10110	5.2
159.02863	10.4
159.11667	27.9
161.13237	34.6
163.05986	11.4
163.11078	2.1
163.14801	13.9
169.10120	3.4
171.11656	8.1
173.13208	17.6
175.14761	16.4
177.16461	16.6
183.11725	3.4
185.13234	4.9
187.14796	17.2
189.16339	19.2
191.18021	2.8
199.14786	9.9
201.16365	19.2
203.14148	3.8
203.17937	20.9
203.63486	2.5
205.15924	3.5
205.95952	2.5
207.17432	3.4
210.32736	2.2
211.14587	3.4
213.16374	9.6
215.17873	17.5
217.19559	4.3
219.17403	7.6
227.17929	9.3
229.19365	4.3
231.17358	2.5
233.18948	4.2
239.17848	4.6
241.19344	3.3
245.18878	8.9
253.19254	2.6
255.21039	4.4
259.20535	3.5
267.21112	3.1
299.23712	2.3
381.31317	8.6
403.33170	4.6
409.34497	2.5
411.35916	2.8
421.34601	65.5
423.35965	10.3
424.36337	4.7
439.29791	4.0
439.35617	79.0
442.37454	4.0
457.36679	39.4
457.67636	2.6
548.22943	2.3
571.39868	4.7
589.40540	2.2
597.37274	9.3
615.38690	4.1
846.08057	3.0
902.16980	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	945.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05426	14.6
68.04937	0.9
68.99714	0.4
69.03348	12.1
69.06988	13.2
69.07343	0.8
70.02871	2.8
70.06507	100.0
71.01283	3.4
71.04913	0.7
71.06829	4.5
71.08558	0.6
72.08070	5.9
73.02830	31.1
74.05988	7.5
75.04438	0.4
79.05403	9.9
81.03329	3.9
81.04437	0.8
81.06971	32.6
82.06479	2.0
83.01233	1.0
83.04908	2.4
83.06010	6.5
83.08530	6.9
84.04424	26.7
84.04935	1.0
84.08063	85.3
85.02824	52.6
85.06460	1.1
85.08389	4.8
86.05985	1.8
86.09623	17.3
87.04387	0.7
87.05527	2.2
87.09964	0.7
88.03918	3.3
91.03874	22.1
91.05399	14.6
92.05711	0.5
92.10905	1.9
93.04456	4.1
93.06969	29.7
94.06522	0.5
95.01252	44.3
95.04896	3.4
95.06022	0.7
95.08530	59.4
96.01643	0.5
96.08069	0.8
96.08842	0.6
97.02818	36.7
97.06458	1.6
97.07535	0.4
97.10103	3.0
98.05976	0.8
98.09597	0.5
99.00736	4.4
99.04381	1.7
99.08009	1.7
101.02338	3.2
101.07076	7.8
101.10728	0.8
102.05463	4.7
103.03884	5.2
103.05381	1.9
104.05263	2.9
105.06994	26.5
107.04878	0.7
107.08533	44.8
108.08918	0.5
109.02821	0.9
109.06462	3.2
109.10104	40.4
110.05977	1.1
110.07110	34.9
110.09635	2.7
111.04313	0.4
111.05500	0.7
111.07432	1.4
111.08049	11.3
111.09140	1.0
111.11686	0.8
112.07543	2.3
112.08689	3.4
113.02303	5.4
113.07085	1.9
114.05475	0.8
115.03885	7.9
115.04990	1.9
115.08643	3.2
117.07028	3.6
119.04900	2.9
119.08536	40.0
120.08061	15.6
121.06448	1.7
121.10094	34.6
122.07094	0.7
123.00715	1.8
123.08018	0.6
123.11655	14.3
124.12012	0.5
125.02287	0.5
125.07075	1.0
125.09576	3.6
126.05437	1.6
126.09106	0.9
127.03878	9.6
127.08624	0.4
129.06888	2.0
129.10197	41.0
130.04973	1.1
130.07739	0.6
130.08554	1.4
130.10547	2.6
131.03360	2.6
131.08530	12.7
133.04926	2.9
133.06044	0.7
133.10095	34.1
135.08022	1.0
135.11652	27.4
136.03918	0.7
136.07552	12.3
136.08591	0.6
137.09578	2.8
137.10559	0.4
137.13220	3.4
139.03879	0.5
139.05070	1.4
139.08643	2.4
139.11115	3.7
140.08115	0.6
140.10666	1.0
141.01801	96.1
141.06544	2.5
141.10190	2.2
142.02100	0.8
142.07777	2.5
143.08548	6.0
143.11829	0.7
144.09247	0.5
145.04945	9.4
145.06039	0.9
145.10098	32.1
145.11249	1.1
147.11664	27.1
149.09593	2.5
149.13234	23.4
151.08614	2.3
151.11171	3.6
151.14758	0.6
153.06587	1.7
153.10182	2.0
153.12741	0.6
155.08347	2.4
155.11807	0.8
156.09286	2.1
157.06056	2.0
157.10088	11.3
159.02841	11.3
159.07646	1.0
159.11652	27.7
160.12099	0.5
161.09586	1.5
161.13220	21.8
161.14572	0.8
163.04738	0.8
163.05984	15.5
163.11139	3.0
163.14769	9.0
165.12672	2.3
167.08157	2.1
167.11780	1.8
169.06068	1.1
169.10031	4.5
169.13287	4.5
170.09265	0.7
170.10814	0.9
171.07590	1.7
171.11598	10.9
172.12422	0.6
173.09184	26.3
173.13214	17.2
174.09415	3.0
175.11166	0.8
175.14792	16.0
176.08197	0.6
177.03915	3.2
177.12682	1.7
177.16336	10.9
180.11186	1.5
181.06058	3.6
181.09767	2.3
183.07513	0.5
183.11598	6.4
183.14893	2.7
184.12392	0.6
185.05554	1.0
185.09157	2.1
185.13211	9.8
186.12283	0.5
186.13977	0.8
187.14769	14.5
189.08629	0.5
189.12683	0.9
189.16345	16.7
191.14258	2.0
191.17921	6.4
193.15797	2.8
195.08830	0.8
195.11420	2.8
195.17360	0.5
196.10776	0.6
196.12480	0.6
197.13170	5.9
198.08740	1.8
198.12273	0.8
199.07111	2.4
199.10939	0.6
199.14781	11.8
200.15193	0.5
201.12381	4.2
201.16345	23.4
202.08363	0.7
203.06624	1.0
203.14375	1.7
203.17909	14.3
205.09717	0.6
205.15820	7.4
205.19536	1.8
207.11388	0.8
207.17419	3.9
208.10785	0.9
209.13190	2.6
211.14732	4.0
213.08691	0.8
213.16306	8.5
215.14195	0.6
215.17920	12.5
216.09776	1.8
216.13408	0.9
217.08080	0.5
217.15883	4.5
217.19530	4.5
219.17393	9.4
221.18947	2.7
223.14809	1.7
225.16344	4.9
227.17899	7.9
229.11588	0.7
229.19482	2.6
231.17346	2.9
233.18938	5.0
235.10718	0.6
237.12306	2.3
237.16243	0.7
239.14978	0.5
239.17834	2.7
241.19383	5.8
243.17397	1.7
243.20966	1.9
244.12968	0.7
245.18945	9.5
247.20311	0.8
251.17867	0.9
252.10945	0.6
253.19504	4.0
255.20944	4.5
257.18881	0.9
257.22485	0.9
259.20474	3.1
265.19366	2.1
267.21042	4.8
269.19049	0.8
269.22574	2.0
270.10703	0.6
271.20477	2.5
273.05862	0.9
273.22025	2.0
279.20972	0.7
281.22473	1.9
283.20569	0.9
285.21921	3.1
291.06909	0.8
293.22525	0.8
295.24118	2.0
297.21930	0.7
299.23578	2.2
309.25485	0.9
311.23557	0.8
312.15445	3.5
313.25153	3.0
321.08002	0.8
321.25528	0.6
327.26740	1.0
331.26010	0.6
335.27176	1.1
339.09222	0.9
351.26581	0.9
353.27991	0.7
363.30414	3.3
381.31464	9.2
399.32095	0.6
403.33524	9.0
404.33670	0.6
405.35016	1.0
409.34564	3.9
411.36041	0.7
421.34552	71.1
422.34845	4.7
423.36108	7.0
426.40808	0.5
437.33200	0.6
439.35608	78.0
440.35910	5.9
457.30630	0.6
457.36691	14.0
458.36279	0.5
472.31470	2.1
472.81616	1.7
517.36835	0.6
535.37292	2.5
553.38696	4.3
571.39801	6.3
572.40167	0.6
579.36298	2.9
589.40485	0.5
596.94385	0.5
597.37463	9.2
615.38428	3.6
944.64069	7.8
945.64099	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	945.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05431	17.6
68.99724	1.2
69.03353	14.1
69.06655	1.0
69.06992	18.0
70.06145	1.5
70.06514	41.0
71.01247	4.5
71.04902	1.1
71.06855	1.3
71.14940	0.8
72.08075	17.7
73.02832	31.7
74.05994	7.2
79.05408	12.7
81.03336	4.9
81.06979	35.0
83.01233	1.8
83.04913	1.3
83.06020	4.4
83.08565	8.5
84.04450	9.8
84.08071	16.8
85.02831	69.4
85.06465	1.2
86.09627	17.6
87.04408	2.1
88.91668	0.8
91.03893	12.3
91.05419	13.5
92.15948	1.0
93.04482	1.8
93.06976	36.4
95.01263	46.1
95.04898	2.0
95.05986	0.9
95.08537	76.9
96.08862	1.3
97.02229	1.8
97.02831	42.8
97.06444	1.0
97.10114	4.0
99.00742	5.8
99.04366	1.1
99.08022	1.0
100.07608	0.9
101.02314	1.8
101.07084	2.1
102.05477	2.1
103.03857	4.5
103.05394	1.3
105.06983	30.8
107.08543	53.0
109.02825	10.8
109.06473	2.1
109.10118	49.0
110.07125	27.9
111.07353	1.4
111.08036	17.0
113.02332	7.2
115.03880	7.9
117.06986	4.1
119.08548	45.1
120.08073	7.8
121.06472	1.4
121.08293	1.1
121.09218	1.7
121.10100	49.9
122.10495	1.0
123.08035	1.7
123.11658	18.2
125.09599	3.8
127.03906	11.1
127.08623	1.7
129.10222	9.1
131.03421	1.5
131.08563	14.4
133.04926	5.6
133.10103	39.8
135.11664	31.6
137.09581	1.5
137.13219	6.0
139.11153	5.6
141.01814	100.0
141.10168	1.1
143.08549	5.7
143.11813	1.1
144.09267	1.5
145.04964	7.7
145.10110	30.9
147.11685	33.0
149.09570	1.9
149.13246	30.4
151.11150	4.2
151.14821	1.1
156.09315	1.2
157.10143	10.7
159.02893	10.9
159.11664	29.1
161.09633	2.0
161.13242	26.6
163.05978	9.7
163.11151	2.1
163.14784	11.4
165.12735	2.1
169.10048	2.1
171.11639	9.9
173.13216	20.6
175.14798	21.1
177.03899	2.2
177.16353	13.4
183.11618	5.2
184.07381	1.0
185.13220	11.8
187.14830	14.0
187.90263	0.9
189.12685	1.3
189.16347	20.8
191.14249	1.7
191.17885	7.8
193.15849	2.3
195.17389	1.4
197.13161	3.7
199.14809	9.7
201.16348	23.8
203.14223	1.4
203.17934	16.7
205.15881	7.7
207.17404	5.7
211.14719	5.2
213.16359	8.4
214.09969	1.0
215.14224	1.8
215.17937	12.9
217.15800	4.2
217.19492	5.2
219.17389	12.9
221.18808	1.5
223.14723	1.5
225.16365	4.4
227.17967	9.4
229.19467	5.1
231.17421	2.3
231.20956	1.0
233.18974	5.0
239.17914	1.2
241.19473	4.2
243.17351	1.4
243.21092	4.8
245.18974	8.1
245.22697	1.2
245.27184	1.0
251.17921	2.0
253.19426	2.3
255.20996	2.0
257.18781	1.2
259.20605	1.5
263.20032	4.9
267.21036	1.9
271.20569	1.6
273.22009	1.6
281.22495	1.1
285.22107	1.7
295.24216	1.9
299.23627	1.1
301.21609	1.1
309.08209	1.1
309.25494	1.2
313.25195	2.0
321.25491	1.2
327.26834	1.3
363.30255	1.5
379.29300	1.0
381.31354	8.7
393.35056	1.1
399.32559	1.9
403.33359	5.9
409.34451	3.3
411.36441	1.1
421.34601	45.9
422.34866	1.2
423.35962	4.0
439.35666	67.5
440.35709	1.7
457.36682	52.0
571.40094	3.5
579.36591	1.4
597.37354	7.4
615.38599	10.5
783.06128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17560	0.8
67.05428	52.4
68.05751	0.6
69.03350	33.7
69.06609	0.9
69.06987	18.7
70.06503	6.4
71.01257	1.4
71.04914	5.1
71.08546	3.9
71.27719	0.8
72.08068	4.7
73.02831	10.5
76.55891	0.7
79.05409	26.8
81.03339	29.8
81.06973	63.1
83.04900	6.5
83.08546	11.4
84.04421	1.3
84.08070	8.6
85.02827	100.0
85.06473	3.0
85.10124	1.0
86.03143	0.8
86.09618	6.1
87.04422	1.2
91.03882	21.3
91.05404	24.7
93.06971	34.5
95.04904	9.0
95.08536	50.7
97.02824	45.0
97.06474	4.7
97.10108	6.5
99.04382	9.9
99.08014	3.0
101.02312	4.6
103.03883	1.6
103.05377	0.9
105.06971	23.2
107.04887	4.7
107.08533	19.7
107.09197	1.0
107.46699	0.7
109.02831	16.9
109.06464	3.1
109.10112	20.6
110.07102	1.1
111.04401	5.0
111.08037	2.9
115.03870	3.7
117.06971	10.4
119.04819	0.8
119.08531	19.4
120.08083	5.4
121.06446	5.9
121.10101	16.5
123.04369	3.4
123.08013	1.4
123.11675	7.7
125.09595	1.5
127.03876	47.7
129.05475	0.9
129.06969	4.7
129.10207	4.7
131.08531	15.6
133.06433	1.8
133.10095	13.0
135.08020	1.5
135.11684	10.1
136.07587	1.3
137.09564	1.7
137.13216	5.3
139.03925	0.9
139.11162	1.3
141.06982	1.4
142.07787	0.7
143.08548	5.9
145.04944	23.2
145.06395	3.0
145.10106	9.4
147.08022	5.4
147.11656	9.1
149.09587	3.5
149.13211	6.7
151.11162	1.5
151.14815	1.2
155.08575	3.4
157.10114	4.8
159.07956	0.9
159.11665	5.3
161.09575	1.2
161.13240	9.3
163.05994	18.8
163.07423	1.1
163.11198	1.0
163.14777	5.5
165.12669	1.6
165.16237	0.8
167.08453	1.1
167.14359	1.2
169.10098	3.7
171.07924	1.0
171.11627	3.6
173.09552	1.1
173.13211	6.6
175.11125	0.8
175.14828	6.2
177.12769	2.7
177.16394	2.9
179.14272	1.7
181.10078	1.1
181.12296	1.0
183.11464	1.0
184.07335	3.1
185.09601	1.3
185.13211	2.7
187.11168	1.5
187.14737	4.0
189.12769	0.8
189.16374	3.3
193.10187	0.8
193.12199	0.9
195.07872	0.8
195.11658	1.0
197.13225	1.2
199.11093	1.0
199.14789	2.9
201.12743	0.9
201.16409	1.3
203.14233	1.4
203.17915	1.2
205.15947	1.1
207.13771	1.5
209.13420	0.9
209.15416	1.0
213.12804	0.9
213.16330	1.4
217.15894	1.2
219.17464	0.8
225.16293	1.1
227.14247	1.3
229.19287	0.7
235.16904	1.0
237.16212	0.8
243.21138	1.6
245.15167	0.8
245.22603	4.0
253.14180	0.8
255.17152	0.9
261.22076	4.3
263.23553	8.9
269.22534	0.9
273.21951	1.7
275.23602	3.9
277.14453	1.6
279.23138	1.6
289.09116	1.1
291.23074	4.7
293.24640	4.4
295.15430	0.9
299.23645	1.3
303.23178	3.7
305.24637	3.8
306.27921	0.9
309.24008	0.9
315.23315	1.2
315.26868	0.9
317.24756	6.0
321.24057	2.6
325.11176	6.3
327.23239	1.2
329.24655	4.7
333.24152	1.5
343.26215	3.9
347.25729	5.9
353.24634	6.6
359.25705	3.7
361.26996	1.1
365.26624	1.3
371.25735	29.3
372.26239	0.9
377.26819	1.3
389.26788	41.5
390.27066	1.2
407.27853	47.8
408.28091	1.2
425.28903	39.7
426.29272	1.0
500.98276	0.9
515.30182	0.9
533.30847	2.8
551.31885	4.8
569.33093	11.5
587.33911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	8.3
67.05080	2.4
67.05428	63.8
69.02998	2.9
69.03348	41.5
69.06982	22.2
70.06513	23.8
71.04920	14.0
71.08538	1.8
71.14042	1.4
72.08065	10.8
73.02834	24.4
79.05406	19.4
81.02850	2.1
81.03334	53.0
81.06971	72.0
83.04880	3.3
83.08526	13.7
84.04419	3.9
84.08068	17.2
85.02825	100.0
85.06425	1.8
86.09629	19.8
88.03925	1.7
91.03874	44.3
91.05415	18.7
93.06960	27.0
95.04898	7.8
95.07961	2.9
95.08537	59.0
97.02822	78.0
97.06469	2.5
97.10094	9.0
99.04385	58.9
99.07995	2.8
101.02311	2.7
102.05418	1.6
103.05332	1.6
105.06987	14.8
107.04930	2.6
107.08543	19.5
109.02829	40.2
109.10105	25.3
110.07139	3.4
111.04430	2.8
111.08024	2.8
115.03878	3.7
117.06924	2.5
118.43073	1.6
119.08530	12.6
120.07194	1.5
120.08020	11.0
121.10091	15.2
123.11660	12.9
127.03873	89.2
128.45206	1.7
129.10191	13.9
131.08505	6.8
133.10078	10.7
135.11644	8.8
136.07602	3.1
137.13243	3.4
143.08546	1.6
145.04956	36.7
145.10054	2.0
147.11665	10.4
149.13246	7.9
151.14836	2.8
161.13211	7.6
163.05997	31.9
163.14883	2.4
165.12624	2.0
173.13177	2.0
175.14786	7.2
184.07271	7.0
189.16385	2.1
195.57181	2.0
196.35388	1.6
200.13898	1.5
245.22520	8.7
261.22107	7.2
263.23648	20.0
279.23016	2.7
289.09064	2.0
325.11172	11.1
331.26468	6.2
341.24509	2.8
359.25858	12.6
371.25757	14.6
389.26859	15.7
399.88983	1.7
407.27826	17.9
425.28876	87.8
601.06647	2.0
781.47839	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	946.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05076	3.7
67.05426	95.1
68.86536	1.6
69.03338	18.4
69.06992	24.1
70.06510	16.2
70.06845	1.6
71.01279	2.6
71.04910	3.8
71.08553	2.0
72.08041	2.6
73.02825	4.4
79.05399	30.0
81.03336	11.9
81.06508	4.0
81.06973	100.0
83.04903	7.8
83.08543	16.3
84.04426	3.3
84.08070	10.1
85.02822	48.7
85.03290	2.8
85.06438	1.8
86.09634	11.1
86.58908	1.7
91.03890	4.2
91.05404	19.5
93.06963	39.2
95.04884	3.8
95.08529	90.5
97.02822	33.0
97.06478	7.7
97.10113	10.0
99.04350	4.5
99.07948	2.0
100.49254	1.9
105.06979	20.3
107.08543	27.9
109.02825	8.3
109.10107	40.6
115.19283	2.4
117.06995	2.9
119.08521	20.8
120.08064	3.1
121.06451	2.5
121.10101	21.8
123.11661	15.9
127.03890	21.3
129.05423	2.8
129.06967	1.7
129.10225	2.7
131.08546	8.6
133.10089	20.2
135.11705	13.2
136.07579	2.2
137.13277	3.8
145.04956	15.3
145.06039	1.8
145.10071	2.7
147.11676	11.9
149.13220	10.4
159.11560	2.6
161.13246	11.8
163.06010	4.5
163.14757	7.3
173.13220	3.0
175.14810	4.4
184.07381	3.2
187.14890	2.4
189.16391	2.7
191.14232	2.3
192.52251	1.9
207.67273	1.9
245.22585	9.2
261.22064	9.9
263.23669	31.0
267.98132	1.8
305.24829	3.9
317.24704	4.1
329.24677	3.9
347.25839	22.4
353.24695	4.5
371.25656	19.4
389.26889	15.8
407.27939	18.4
425.28854	73.4
882.24243	2.4
946.46497	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	946.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05425	61.3
68.05750	0.9
69.03347	19.7
69.03699	1.1
69.06987	19.2
70.06506	7.6
70.40516	0.6
71.04910	8.2
71.08550	2.6
72.08064	3.5
73.02831	9.9
78.00803	0.5
79.05402	17.9
81.03333	15.9
81.06971	74.3
83.04902	2.7
83.08533	11.9
84.04426	0.9
84.08041	4.8
85.02824	62.1
85.06473	1.4
85.10086	0.7
86.09621	6.6
86.88839	0.6
87.04380	1.2
87.53004	0.7
91.03876	20.0
91.05396	15.9
93.06969	22.1
95.04903	1.6
95.08530	56.7
96.08881	0.6
97.02819	100.0
97.06467	3.5
97.10092	7.1
99.04381	27.8
99.08022	1.1
100.95554	0.6
101.02331	3.2
103.03865	1.1
104.10679	0.7
105.06967	11.8
107.08534	15.8
107.09208	1.0
109.02821	17.4
109.06465	1.2
109.10107	22.2
110.07056	1.0
111.04359	1.1
111.08017	2.7
111.11636	1.1
115.03891	1.6
117.06953	1.0
119.08524	9.2
120.08055	3.7
121.08318	0.6
121.10085	11.9
123.11662	10.5
127.03867	40.2
129.06989	0.7
129.10205	3.2
131.08549	3.5
133.10115	10.2
135.11665	8.3
137.09581	0.7
137.13284	4.5
141.06981	0.7
145.04936	28.7
145.06172	1.0
145.10152	0.9
147.08006	1.0
147.11635	5.9
149.13216	6.0
151.11169	1.1
151.14845	2.5
157.10033	0.7
159.11658	1.3
161.13213	7.0
163.05983	20.4
163.14772	4.5
165.16307	0.8
171.07976	0.7
175.14793	5.6
177.16211	0.8
179.18045	0.8
184.07350	4.3
187.14735	0.7
189.16423	1.4
191.01654	0.7
193.15813	0.7
208.23972	0.7
217.19504	1.1
245.22604	9.6
261.22214	2.2
263.23630	31.1
265.25305	0.8
279.23141	1.2
284.10266	0.7
305.24771	0.7
317.24780	1.1
325.11240	6.7
327.87631	0.7
353.24646	2.6
359.25659	2.8
361.27356	0.9
371.25702	9.0
377.26822	3.2
389.26816	7.2
407.27756	13.4
425.28867	54.9
426.29010	1.6
439.82101	0.8
547.45123	0.7
569.32898	3.5
641.79700	0.8
823.51233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6242
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66039	1.0
71.04706	1.0
71.07279	6.0
71.08533	2.3
72.08076	1.2
72.69622	1.0
85.10071	1.4
86.09628	56.0
91.18591	1.2
95.08508	1.9
97.02810	1.4
98.98389	2.7
104.10683	90.5
120.08093	1.1
124.99968	33.4
129.10042	1.1
137.44099	1.2
152.32806	1.2
181.24712	1.2
184.07304	100.0
185.07690	2.2
239.15060	1.2
272.63550	1.4
282.18695	1.4
313.27332	2.2
459.25073	2.0
478.32584	6.7
496.33871	63.0
497.33862	5.3
517.08295	1.4
897.80096	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06999	2.4
70.06512	37.1
72.08070	23.0
74.05999	2.7
76.56290	1.3
83.06026	1.5
84.04449	11.4
84.08070	29.9
86.05951	1.1
86.09624	24.0
88.03919	1.3
91.05412	1.9
92.28684	1.2
94.58172	1.4
101.11883	1.3
102.05505	1.7
108.89077	1.2
110.07151	7.0
112.08704	2.0
115.08643	1.7
116.58397	1.2
120.08057	21.5
127.03904	1.6
129.10216	19.8
136.07632	5.8
136.49715	1.4
145.08031	1.4
184.07393	3.1
203.05386	1.5
305.08563	2.2
347.09506	7.4
365.10480	29.2
407.10913	1.8
410.19244	1.5
411.85858	1.6
437.12653	1.8
460.48209	2.0
467.13690	5.4
509.14807	5.3
527.15717	83.6
528.16498	1.9
627.33698	2.1
789.38641	10.7
804.95068	1.5
893.09357	1.6
951.43860	100.0
952.43317	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	951.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06999	2.4
70.06512	37.1
72.08070	23.0
74.05999	2.7
76.56290	1.3
83.06026	1.5
84.04449	11.4
84.08070	29.9
86.05951	1.1
86.09624	24.0
88.03919	1.3
91.05412	1.9
92.28684	1.2
94.58172	1.4
101.11883	1.3
102.05505	1.7
108.89077	1.2
110.07151	7.0
112.08704	2.0
115.08643	1.7
116.58397	1.2
120.08057	21.5
127.03904	1.6
129.10216	19.8
136.07632	5.8
136.49715	1.4
145.08031	1.4
184.07393	3.1
203.05386	1.5
305.08563	2.2
347.09506	7.4
365.10480	29.2
407.10913	1.8
410.19244	1.5
411.85858	1.6
437.12653	1.8
460.48209	2.0
467.13690	5.4
509.14807	5.3
527.15717	83.6
528.16498	1.9
627.33698	2.1
789.38641	10.7
804.95068	1.5
893.09357	1.6
951.43860	100.0
952.43317	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	954.583
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05421	3.9
69.06983	0.7
69.89359	0.7
70.06506	1.1
71.07298	7.6
79.05420	0.9
81.06969	4.2
84.04453	0.6
86.09630	67.4
92.10306	0.9
93.06965	1.2
95.08513	2.8
96.43818	0.7
98.98395	4.4
104.10682	88.1
107.08591	0.7
124.99969	36.2
136.66975	0.8
141.68454	0.7
143.01073	0.7
171.36972	0.7
184.07312	100.0
185.07675	1.0
204.90872	0.9
208.52193	0.7
258.10803	0.9
263.14435	0.7
413.12274	0.7
502.32596	7.4
520.33887	66.0
521.34052	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6132
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05424	100.0
69.06983	21.7
73.43113	4.9
79.05410	54.1
80.93102	5.1
81.06970	93.6
81.20496	4.6
83.08537	7.3
84.63117	4.7
85.02818	30.5
88.08439	4.7
91.03888	11.2
91.05410	43.4
93.06966	67.5
93.08744	5.7
95.04860	7.0
95.08539	78.2
97.02827	11.5
105.06985	37.6
107.08513	41.3
109.10122	31.1
117.07009	6.8
119.08525	25.5
121.10085	34.7
123.11649	11.2
131.08533	8.5
133.10118	9.0
135.11650	22.8
137.25226	5.1
145.10123	8.6
149.13248	6.7
159.11740	6.5
161.13251	6.1
235.59668	5.3
261.21951	5.4
335.25763	99.8
335.29642	8.6
337.27371	7.2
595.46851	10.9
613.47852	30.6
970.74377	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	955.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05431	14.5
69.03355	5.7
69.06986	6.4
70.06512	60.8
71.01276	2.7
71.04911	50.2
72.08077	16.2
73.02829	5.9
75.04398	5.8
76.55824	1.2
76.92806	1.1
78.20032	1.3
79.05408	8.9
81.03319	1.8
81.06979	26.4
83.04906	24.6
83.06019	2.5
83.08547	1.9
84.04432	5.2
84.08074	24.9
85.02830	88.4
86.09628	15.9
87.04391	1.8
88.03913	1.1
91.03876	6.4
91.05388	15.8
91.60095	1.1
93.04494	1.5
93.06984	26.9
95.01251	21.9
95.08539	54.4
97.02817	10.3
99.00769	2.1
99.04408	1.5
102.05540	2.0
103.03877	2.9
103.05407	1.5
105.06988	26.6
107.08541	44.8
109.02786	1.7
109.06523	1.4
109.10107	36.5
110.07130	15.5
111.04414	11.6
111.08041	2.4
113.02319	2.8
117.06996	4.7
119.04899	1.8
119.08535	35.9
120.08053	21.7
121.10097	24.8
123.11626	9.9
127.03902	2.9
129.05437	16.0
129.10217	12.2
131.08542	11.6
133.10101	30.0
135.11673	17.0
136.07533	9.7
137.06027	1.2
137.09682	1.1
139.11163	5.8
141.01811	49.9
141.10170	1.5
141.89830	1.2
143.08551	6.9
145.04950	1.8
145.10095	32.1
147.06505	6.9
147.11685	21.9
149.13246	17.2
150.41443	1.3
157.10052	9.3
159.02869	7.0
159.11655	30.0
161.13213	23.1
163.05959	6.1
163.14801	8.3
169.09930	2.6
171.11664	9.6
173.13214	17.7
175.14821	12.5
177.04002	2.0
177.16364	6.2
183.11612	2.6
185.13225	6.7
187.10930	1.5
187.14795	21.9
189.12633	2.0
189.16356	20.9
197.13135	2.0
199.14824	5.8
201.16360	28.8
203.14134	1.3
203.17987	5.8
205.15837	1.7
207.13940	2.5
207.17436	2.8
211.14680	2.4
211.58235	1.3
212.45450	1.2
213.16382	10.7
215.17935	7.2
217.12059	2.3
217.15651	1.3
219.13762	1.9
219.17374	2.5
223.15135	1.2
225.16359	2.4
227.14410	1.4
227.17924	5.5
229.15825	1.5
229.19469	2.5
233.15352	9.6
239.17830	1.5
241.15976	1.4
241.19498	2.5
245.15273	2.1
247.16968	8.0
257.15198	2.9
259.16913	32.8
267.20963	2.4
271.16940	8.0
273.18484	9.5
285.18536	9.5
287.07230	1.2
287.20032	9.5
297.18576	2.2
299.20056	6.2
301.21487	1.3
305.08490	2.1
313.21628	7.1
322.74045	1.4
325.21692	1.6
327.23126	7.2
339.22992	2.1
341.24670	5.2
389.31686	1.9
395.29327	10.6
407.32932	7.0
423.31857	11.1
435.32532	80.6
436.32721	6.0
453.33594	100.0
454.33899	5.5
471.34613	11.5
611.35468	11.6
629.35236	1.5
647.36969	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.578
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05083	0.3
67.05428	6.6
68.05757	0.3
69.06990	5.8
70.06511	1.5
71.04921	0.2
72.04404	0.2
72.08061	0.8
79.05409	1.9
80.05736	0.2
81.06974	7.3
82.07308	0.2
83.08549	1.9
84.04420	0.6
84.08064	1.7
85.05195	1.7
85.33485	0.1
85.86008	0.1
86.05976	0.4
86.09631	1.3
90.40536	0.2
91.05413	1.6
92.10839	0.2
93.06966	2.6
95.08532	4.9
96.08055	0.3
96.08825	0.3
97.10098	0.8
98.05983	10.3
98.09624	0.2
99.06823	0.3
105.06987	0.8
107.08514	1.2
109.10111	1.9
110.07070	0.2
110.09616	0.6
110.15191	0.1
112.07561	1.3
119.08534	0.7
120.08052	1.3
121.10098	0.4
123.11626	0.3
126.09122	0.4
129.10184	0.8
131.08569	0.3
133.10081	0.6
135.11687	0.3
136.07607	0.2
138.09145	0.2
140.10660	0.7
147.11690	0.2
154.12248	0.3
168.13779	0.2
180.13748	0.2
181.42819	0.2
182.15398	0.4
184.07286	0.9
194.15509	0.2
196.16972	0.7
208.16956	0.8
210.08371	0.1
222.18507	0.8
233.46591	0.2
234.58412	0.2
236.19803	0.5
274.91537	0.2
306.27863	100.0
307.28198	3.9
324.28983	1.1
335.25674	3.6
336.26035	3.1
337.26468	1.0
476.27719	0.2
478.29105	0.2
943.78375	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	957.396
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05418	7.0
69.03331	8.2
69.06971	4.0
70.06504	47.7
71.04926	2.7
71.06844	2.2
72.08065	7.1
73.02834	2.3
74.05970	2.8
79.05408	2.5
81.03326	2.3
84.04428	16.0
84.08063	30.5
85.02811	11.3
86.09609	12.5
91.05404	4.3
92.10273	6.4
93.04453	2.0
94.06488	7.1
95.04890	2.1
95.08479	1.9
96.08021	1.9
97.02788	8.5
99.04371	2.5
102.05472	3.3
105.03327	1.9
107.04884	1.9
107.08548	3.0
108.08067	9.4
109.02805	2.6
109.10133	1.6
110.07115	21.1
115.08674	1.7
116.98573	2.5
119.04884	3.2
119.08575	2.0
120.04435	1.7
120.08029	4.3
122.06001	24.3
125.69973	1.9
126.05473	3.0
127.03868	12.1
129.10205	13.9
129.10994	1.7
134.06020	7.3
135.11674	1.9
136.07561	28.9
140.07027	4.0
146.06006	3.7
147.04355	4.2
148.07526	9.1
159.09155	4.1
161.09579	3.0
164.06926	2.0
166.08630	1.8
191.85759	1.8
192.16133	1.9
220.20132	2.0
221.10423	2.0
223.08659	9.0
223.12230	2.4
225.10164	27.4
225.13768	2.8
226.10794	2.1
227.11830	7.1
235.08543	6.7
236.09279	6.7
237.10107	16.5
237.13841	10.1
238.10916	14.8
239.11687	26.1
240.12485	10.9
248.09648	3.0
249.10106	18.2
250.10826	18.2
251.08069	7.0
251.11748	88.1
252.12396	17.5
253.09583	3.5
253.13322	24.5
255.06480	3.5
263.11740	53.5
264.09036	2.2
264.12424	12.3
265.09698	15.6
265.13278	100.0
266.10416	7.8
266.13995	8.9
267.11185	8.8
267.14792	9.5
271.05978	3.2
275.11682	2.7
277.09711	4.4
277.13242	4.2
278.10364	13.1
279.11191	40.8
280.11932	9.9
281.12659	10.4
283.10733	11.3
283.14117	1.9
285.12476	2.6
291.11279	16.4
293.12781	43.7
294.13422	3.5
295.10812	7.4
295.14346	16.2
296.11591	7.1
297.12311	14.5
298.13010	4.2
299.13776	11.5
303.11218	2.3
307.10840	4.1
309.12262	30.3
310.12952	4.0
311.13806	58.2
312.14145	3.9
313.15292	7.2
319.10669	4.2
321.12320	16.6
323.13849	2.5
325.15314	3.7
329.92633	2.0
335.13745	2.5
337.11664	2.7
339.13232	13.3
341.14914	2.9
351.13107	10.3
353.14871	38.8
358.15643	3.8
358.92651	1.9
369.14377	14.1
370.15363	3.2
371.15839	23.1
372.16537	7.0
381.14072	4.1
383.15973	3.2
386.18475	2.8
411.15375	14.3
412.16473	4.1
413.17072	24.5
414.17764	10.7
416.19360	8.1
432.19174	2.9
435.15228	2.7
437.17050	9.4
441.16443	4.1
442.17700	4.0
443.18155	2.5
453.16370	8.3
455.18176	16.9
460.18622	2.8
463.14572	6.7
465.16437	8.5
471.17459	15.8
473.19186	29.0
474.20245	13.1
479.17786	3.4
481.15686	9.2
482.16864	4.0
483.17435	14.5
494.22455	3.2
495.17679	3.9
497.18890	10.0
499.16821	8.9
501.18536	9.3
502.19211	2.2
513.18536	24.9
514.19171	3.1
515.20190	35.8
531.19659	33.5
532.20184	3.1
533.13745	3.1
533.21210	55.0
534.21942	21.9
558.21576	3.1
562.21576	2.4
576.22748	7.2
586.21387	21.1
600.23297	19.1
604.22485	10.5
606.24402	3.8
615.27661	3.7
618.24176	40.2
619.24799	2.8
622.23785	21.6
622.81665	2.0
623.23419	2.7
633.29395	2.2
636.15210	3.1
636.25476	82.5
637.25629	8.4
643.26978	2.7
654.26550	54.8
655.26459	6.9
675.29938	9.1
709.28534	14.6
723.30353	14.9
727.29181	8.7
736.05005	2.0
741.31171	42.6
745.30212	4.0
759.31738	22.4
760.32697	1.9
777.33136	45.7
778.32672	7.1
795.34399	2.7
816.31689	3.1
953.25110	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	957.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05428	23.9
69.03350	85.1
69.06997	19.0
70.06512	41.3
71.01276	3.7
71.04916	14.5
72.08060	10.0
73.02830	12.5
74.05988	2.1
79.05415	25.5
81.03337	64.1
81.06974	60.1
83.04879	3.0
83.08534	7.6
84.04419	9.9
84.07634	2.1
84.08071	23.1
85.02827	100.0
85.06477	2.1
86.09641	16.1
87.00749	42.2
88.08847	1.5
91.03864	9.5
91.05412	26.2
92.10242	2.3
93.04439	1.7
93.06975	49.6
95.01260	25.5
95.04877	8.8
95.08533	99.0
96.08897	1.9
97.02225	2.8
97.02824	66.5
97.06451	7.8
97.10094	2.8
98.05905	1.6
99.00771	1.9
99.04387	17.8
99.08027	2.0
102.05479	2.7
103.03864	2.8
105.01804	21.1
105.06975	67.5
107.08536	82.2
108.08862	2.0
109.02836	38.6
109.06459	9.5
109.09393	2.9
109.10106	57.8
109.10853	2.0
110.07082	14.7
111.04395	1.6
111.07420	1.7
111.08043	19.6
113.02314	6.3
117.01798	7.2
117.06946	9.0
119.08530	88.9
120.08069	8.5
121.06389	3.0
121.10101	59.6
123.00741	1.5
123.08054	11.2
123.11648	19.4
125.02307	2.3
125.09610	2.5
127.03883	61.4
128.26877	1.7
129.06984	3.2
129.10187	8.4
130.07730	2.1
131.08531	28.6
133.10095	88.3
135.08008	7.2
135.11662	36.0
137.09641	2.6
137.13202	2.6
141.01805	38.5
142.07808	2.4
143.08559	14.3
144.09323	1.9
145.04947	19.8
145.10107	58.2
147.08038	2.5
147.11678	53.6
149.09621	3.9
149.13232	33.3
151.11118	3.2
156.09264	1.8
157.10095	28.9
158.10831	2.0
159.02859	29.9
159.11652	62.2
161.09607	5.4
161.13214	37.4
163.11127	2.6
163.13570	1.6
163.14748	13.1
165.12698	1.9
169.10089	3.8
171.11638	20.4
173.09581	1.8
173.13228	33.3
175.11127	6.8
175.14819	26.2
177.12744	1.8
177.16331	20.5
183.11664	15.4
185.13188	14.1
187.14790	23.5
189.12717	3.3
189.16347	35.6
191.14395	2.0
191.17975	2.9
195.11549	3.0
197.13231	9.4
199.14792	23.2
201.16408	28.2
203.14259	7.6
203.17929	14.0
205.15862	9.0
207.17447	10.6
211.11044	1.9
211.14771	7.7
213.03955	2.2
213.16400	17.3
215.14212	3.7
215.17880	12.7
217.15837	12.2
217.19545	3.1
219.17374	10.4
223.14804	2.3
225.16313	6.8
227.17947	8.3
229.19363	1.8
231.04918	52.9
231.17401	9.6
233.18933	2.9
239.17961	1.8
241.19429	3.0
243.17397	7.7
243.21187	3.1
249.05951	31.4
253.19414	3.3
261.18353	2.2
265.19424	2.4
267.20987	2.5
269.19080	2.0
271.20453	3.2
277.17987	1.9
283.20352	1.9
291.19849	1.7
335.27390	2.5
353.28259	8.0
379.29776	3.6
389.06995	2.4
401.31760	3.0
407.07895	3.2
407.32880	8.4
419.32938	33.8
437.34055	50.0
439.31473	3.8
455.35141	15.6
467.35107	17.9
479.35144	29.0
497.29666	2.5
497.36230	56.0
515.37262	29.6
595.35419	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	957.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05432	13.0
69.03357	3.9
69.06413	0.5
69.06989	13.5
70.06511	13.2
70.87354	0.4
71.01254	4.0
71.04911	44.3
71.06839	0.6
72.08066	2.5
73.02832	7.7
75.04388	4.5
79.05417	9.1
81.03342	2.0
81.06976	25.3
83.01286	0.7
83.04429	0.8
83.04901	16.4
83.06011	0.7
83.08553	4.0
84.04430	2.5
84.08077	4.5
85.02829	86.3
85.06467	1.7
86.09631	5.6
87.04401	1.0
91.03883	7.3
91.05414	7.3
93.04476	0.7
93.06375	0.5
93.06975	20.3
95.01260	24.9
95.04895	2.1
95.08535	54.1
96.08852	0.7
97.02828	9.9
97.06470	2.3
97.10107	2.0
99.00744	2.1
99.04383	2.2
99.08035	1.0
101.02309	1.0
101.05975	1.1
102.05411	0.6
103.03882	3.2
103.05415	0.7
105.06975	22.2
107.01897	0.4
107.04891	0.5
107.08543	35.1
109.02845	2.8
109.06445	2.0
109.10109	33.8
110.07148	3.3
110.10455	0.5
111.04385	9.6
111.08028	9.3
113.02290	4.5
113.09600	0.5
115.08695	0.4
117.06991	2.3
119.08540	25.7
120.08098	4.6
121.06503	0.7
121.10099	26.1
123.00748	0.7
123.08012	3.0
123.11658	11.5
125.09583	6.0
127.03886	4.9
129.05431	13.5
129.06949	1.5
129.10223	3.2
130.07803	0.5
131.03412	0.9
131.08543	8.3
133.10103	25.7
135.08043	0.6
135.11661	19.1
136.07513	0.7
136.34036	0.4
137.09587	4.8
137.13272	3.5
139.03938	0.6
139.11177	4.2
141.01808	54.7
143.08565	2.2
145.04919	4.3
145.10100	16.6
147.06512	6.0
147.11668	24.7
149.09621	2.4
149.13242	16.0
151.11203	3.4
153.06563	0.5
153.09097	2.5
153.12759	0.7
155.08423	0.5
155.10692	0.8
157.10097	6.9
159.02850	5.5
159.11674	19.3
160.12056	0.6
161.09605	1.8
161.13242	14.9
163.06021	5.3
163.11156	2.5
163.14784	7.8
165.07561	0.7
165.12744	3.2
169.10109	2.3
170.10881	1.0
171.06589	0.5
171.11678	7.2
173.13229	14.8
174.13705	0.5
175.11188	1.9
175.14793	11.9
177.03931	2.0
177.12778	2.3
177.16370	7.5
179.14330	0.8
183.11551	3.3
184.12325	0.7
185.13211	6.1
186.13849	0.5
187.11160	0.8
187.14792	9.9
189.12723	0.9
189.16348	18.4
191.14317	2.7
191.17923	4.0
193.15788	3.1
195.11539	0.5
195.17430	2.5
197.13251	3.1
199.14801	6.1
201.12744	1.1
201.16353	12.7
202.16844	0.6
203.14305	2.9
203.17918	10.0
205.15833	6.6
205.19592	0.5
207.17410	6.1
209.13242	1.0
211.14841	2.0
213.16344	5.1
215.14313	1.8
215.17899	6.6
217.15848	4.5
217.19473	1.9
219.17419	12.7
221.18889	0.8
223.14841	0.5
225.16429	0.9
227.17992	3.1
229.15855	2.0
229.19437	3.3
231.17407	4.9
233.18997	2.8
235.16965	1.1
237.16389	0.5
239.17842	0.8
241.19490	2.4
243.17380	6.0
243.21082	2.3
245.15065	0.5
245.18941	0.9
247.16785	0.9
247.20557	3.0
249.18472	0.7
253.19522	0.8
255.08600	0.6
255.17581	0.8
255.20944	2.0
257.18973	2.5
257.22559	0.8
259.16928	0.8
259.20551	1.7
261.18448	12.2
269.18967	1.7
269.22610	2.1
271.20502	2.1
273.09790	0.5
273.18475	3.2
273.21976	0.6
275.20081	2.9
283.20547	2.2
283.23926	0.7
287.07596	0.8
287.20020	3.6
289.21573	5.4
293.22574	0.7
295.24210	0.9
297.22223	1.0
299.19992	1.0
301.21536	3.6
305.08627	4.0
309.11780	2.2
311.23682	0.7
315.23093	2.3
325.25162	1.0
327.23083	0.7
329.24643	3.1
335.27200	0.6
343.26074	0.7
365.19260	0.5
379.29886	1.9
382.11343	0.5
397.30954	7.4
407.32635	0.6
409.34778	5.1
419.33142	6.9
423.36392	3.2
425.33994	2.8
427.35666	0.6
437.34064	47.3
438.34396	3.5
452.90225	0.4
455.35117	100.0
456.35535	6.5
473.36133	2.3
595.36133	2.6
613.37207	13.4
614.37817	1.0
770.06842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05428	10.2
68.99692	0.3
69.03007	0.5
69.03352	8.2
69.06989	8.1
70.06511	9.3
71.01260	1.6
71.04916	2.0
71.06836	0.4
72.08077	3.7
73.02832	14.0
75.04398	0.6
78.07916	0.3
79.05413	8.6
80.44012	0.3
80.52571	0.3
81.03332	3.2
81.06977	23.3
83.01250	0.7
83.04904	2.3
83.06030	0.4
83.08540	4.8
84.04420	1.5
84.08060	4.2
85.02828	63.3
85.06458	0.4
86.03160	0.5
86.09634	3.6
87.04415	0.5
87.05547	0.4
91.03880	23.9
91.05401	8.7
93.06976	27.0
95.01259	27.3
95.04892	0.8
95.08534	54.8
96.08881	0.4
97.02824	24.0
97.06469	6.4
97.10102	2.0
99.00758	2.9
99.04393	2.1
99.08012	0.7
101.02312	2.3
102.05495	0.4
103.03896	4.0
103.05399	0.5
105.06972	19.0
105.07648	0.7
107.08541	35.5
108.08885	0.5
109.02848	2.5
109.06475	2.4
109.10107	28.3
110.07104	2.2
110.10444	0.5
111.08037	8.9
111.11719	0.4
113.02333	3.6
113.09601	0.4
115.03855	1.6
117.06958	2.4
119.08539	35.1
120.08066	4.1
120.08776	0.5
121.10101	30.1
122.10412	0.7
123.00717	0.6
123.08018	2.2
123.10836	0.7
123.11662	9.5
125.09628	2.8
127.03872	14.0
129.06970	1.6
129.10191	3.1
130.07642	0.5
131.03363	2.3
131.08539	13.7
133.10100	26.1
134.10451	0.6
135.08101	0.4
135.11668	21.6
136.07559	2.0
137.09598	1.8
137.13232	3.3
139.11154	14.7
141.01807	62.4
143.08513	4.8
144.09303	0.6
145.03958	0.5
145.04941	17.2
145.10103	18.9
147.11676	22.6
148.11943	0.5
149.09615	0.8
149.12042	0.8
149.13245	22.4
151.11156	2.7
151.14844	0.5
153.12703	1.6
155.08504	1.6
156.09305	0.5
157.10089	9.8
158.10878	0.6
159.02867	8.5
159.11661	23.8
161.09654	0.5
161.13229	21.8
163.05980	19.5
163.11140	5.9
163.14774	8.3
165.12740	3.7
167.14296	0.8
169.10010	2.6
170.10915	0.5
171.11674	7.1
172.12378	0.5
173.13216	16.2
173.14664	0.7
174.13713	0.5
175.11206	0.6
175.14787	19.5
177.03940	2.9
177.12711	3.0
177.16347	12.0
183.11722	2.9
184.12454	0.4
185.13220	7.0
187.14781	14.3
189.12753	0.8
189.16362	12.6
189.18085	0.4
191.14333	4.0
191.17944	2.7
193.15948	2.8
195.11597	0.4
195.17412	2.6
197.13246	3.5
199.14789	10.1
199.16454	0.6
201.16359	21.4
203.14388	1.8
203.17929	11.5
204.18231	0.7
205.15819	7.0
207.17470	4.9
209.13300	0.6
211.14775	2.4
213.16362	7.0
215.14598	1.2
215.17909	14.7
217.15872	2.6
217.19476	4.2
219.17404	14.4
220.17682	0.6
221.19048	0.6
225.16350	4.0
227.17897	11.9
229.15932	0.7
229.19513	3.4
231.17418	4.9
233.18930	2.6
237.16295	0.5
239.17960	2.8
241.19402	3.3
243.17375	2.2
243.21127	1.7
245.18968	18.9
247.20499	0.6
251.17935	0.5
253.19524	2.3
255.17296	0.5
255.18532	0.5
255.21053	5.9
257.18863	2.7
257.22427	0.5
259.20621	3.4
261.22079	0.6
265.19385	0.7
267.20963	3.0
269.19009	0.7
269.22638	3.8
271.20526	4.0
273.22073	5.2
281.22626	1.6
283.20630	1.6
283.24133	0.6
285.06241	0.5
285.22125	4.7
287.23706	0.8
295.24246	1.6
299.23810	3.5
303.07236	0.5
307.24045	0.5
309.25708	1.6
311.23630	0.8
313.25180	4.1
321.08066	3.5
323.27237	0.7
325.11243	0.8
325.25375	0.4
327.26974	1.4
339.09164	1.6
351.18216	0.6
363.30469	2.1
365.19415	0.5
379.29663	0.6
381.31531	8.4
403.33447	4.9
409.34372	4.1
421.34586	54.3
422.34784	3.7
423.35953	0.8
437.34302	0.6
439.35651	100.0
440.35941	7.5
455.35217	0.9
457.36746	1.5
526.09845	0.4
579.36713	1.9
597.37805	15.8
598.37885	0.6
615.38635	0.7
636.20959	0.4
771.71045	0.5
779.71350	0.6
876.07910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83298	1.0
67.05429	14.1
68.04953	1.5
69.03340	5.0
69.06999	10.8
70.02863	2.1
70.06512	67.9
70.06895	2.6
71.01266	2.6
71.04910	52.3
71.06835	2.0
72.08068	14.2
73.02822	7.6
74.05972	5.9
75.04390	7.1
79.05395	11.8
81.03341	12.8
81.06976	30.3
83.01264	1.3
83.04900	13.9
83.06009	5.9
83.08539	5.1
84.04430	39.0
84.08067	100.0
85.02827	90.5
85.04733	1.3
85.08407	1.8
86.05997	1.9
86.09627	51.1
87.05512	4.3
87.09954	1.1
88.03925	1.4
91.03895	8.8
91.05411	15.0
93.04458	1.3
93.06979	31.5
95.01252	28.0
95.04880	2.4
95.08538	73.5
96.04391	1.7
96.08828	1.3
97.02824	18.6
97.06468	2.5
98.05979	5.9
98.09566	1.2
99.00772	2.0
99.04391	4.5
100.46465	1.0
101.02303	1.2
101.07081	9.6
102.05486	9.7
103.03850	5.2
103.05400	1.7
105.06996	35.4
105.26997	1.0
107.08542	54.7
109.02826	26.4
109.03525	1.7
109.06482	1.4
109.10103	31.4
110.07121	17.6
110.09625	1.7
110.13422	1.0
111.04379	8.6
111.08067	9.1
112.07558	1.3
113.02288	4.1
114.05481	2.0
115.08655	1.6
117.06934	4.5
119.08536	47.7
120.08064	16.2
120.08849	1.9
121.06435	2.4
121.10107	31.3
123.08031	2.2
123.11684	12.2
125.09603	1.3
126.05444	4.1
127.03872	22.5
127.08613	1.4
129.05438	11.4
129.06470	2.1
129.10204	59.0
130.04980	2.1
130.10541	2.7
131.03322	1.9
131.08546	18.8
133.10103	29.1
135.11665	26.1
136.07565	10.6
137.09595	1.7
137.10651	1.3
137.13258	1.5
138.12756	1.8
139.08658	1.9
139.11200	2.3
141.01804	58.8
141.06598	2.7
141.10207	4.4
143.08466	6.4
143.11787	1.9
145.04941	4.3
145.10110	26.1
147.06505	6.8
147.11676	30.8
147.76816	1.2
149.09581	1.6
149.13264	20.9
151.11156	4.1
152.14330	1.6
153.06526	2.1
153.12811	1.1
155.08319	2.2
155.11699	1.5
157.10077	16.6
158.10930	1.9
159.02901	8.2
159.07646	2.4
159.11661	28.5
161.01260	1.1
161.13211	23.6
162.13620	1.3
163.06004	5.1
163.11185	1.6
163.14772	7.2
165.12697	1.2
167.08162	2.3
169.04921	4.6
169.09860	5.9
170.04433	1.6
171.07605	2.2
171.11638	13.2
173.13240	25.4
174.67155	1.1
175.14792	18.5
176.11699	1.1
177.12735	6.5
177.16431	8.9
180.11185	1.3
181.05965	2.0
182.10963	1.3
183.11485	6.5
184.07326	1.1
185.09210	2.4
185.13213	10.1
186.08768	2.0
186.12341	1.8
187.11053	1.3
187.14761	13.9
189.12758	1.3
189.16330	21.1
191.14301	5.8
191.17928	5.6
193.15883	5.1
195.11299	1.8
195.17377	1.6
197.13264	5.8
199.07043	1.5
199.14803	12.7
201.12590	1.5
201.16348	18.2
203.14299	6.7
203.17928	11.0
205.15901	5.2
207.17441	4.5
209.09152	4.1
211.14796	5.1
213.08794	1.7
213.16208	9.0
215.14322	2.2
215.17934	12.6
217.08084	1.5
217.15811	2.5
217.19373	1.3
219.17455	7.3
225.16338	4.7
226.11876	2.6
227.17943	4.3
229.06911	2.5
229.15871	2.3
229.19476	4.8
231.17355	7.8
233.18922	2.0
241.19456	1.8
243.17421	6.3
243.21104	2.1
245.18938	1.7
253.19388	2.0
255.08656	1.3
255.21068	1.7
261.18463	18.4
269.19009	2.0
271.20367	4.6
273.18604	1.4
275.19928	2.5
283.20471	1.9
285.22153	1.5
287.19916	6.4
289.09070	1.9
289.21582	6.0
297.21887	1.5
301.21609	2.1
305.08609	2.0
309.11652	1.9
311.23669	2.1
312.11771	1.6
315.23010	1.7
329.24567	1.6
362.32196	1.3
379.29901	6.8
395.29126	1.8
397.31155	5.4
407.32816	2.6
409.34537	1.4
419.33029	27.0
437.34082	95.2
438.34296	7.6
439.35757	1.6
447.77115	1.3
455.35156	69.4
456.35284	5.2
498.52582	1.2
595.36060	10.8
600.88995	1.1
613.37360	15.8
636.25031	1.3
678.70367	1.5
827.08551	1.8
885.20203	1.8
931.46674	1.8
965.16193	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05427	10.0
69.03348	7.0
69.06989	8.2
70.06503	3.3
71.01263	1.4
71.04907	1.9
72.08082	0.7
73.02829	11.9
74.22759	0.3
79.05401	7.1
81.03324	3.4
81.06976	23.6
83.01260	0.7
83.04903	2.2
83.08551	4.0
84.08059	1.5
85.02826	62.2
85.06467	0.4
86.09636	1.6
87.04409	0.8
88.02111	0.3
91.03879	26.7
91.05395	7.8
91.28552	0.3
93.06973	23.3
95.01257	26.2
95.04903	2.0
95.08531	51.9
97.02821	23.2
97.06458	5.6
97.10107	2.4
99.00742	2.4
99.04372	4.1
99.08042	1.4
101.02304	1.7
103.03880	2.2
103.05380	0.6
105.06976	17.7
107.08534	31.4
109.02831	3.2
109.06429	2.5
109.10107	26.2
110.07110	0.5
111.08033	7.1
111.11722	0.4
113.02322	4.1
113.09599	0.5
115.03894	1.9
115.05436	0.4
117.06963	2.3
119.08534	35.0
120.08051	2.0
120.08812	0.4
121.10098	26.5
123.00745	1.3
123.08031	1.6
123.11658	11.4
124.11967	0.4
125.09597	4.0
127.03876	13.1
129.06972	0.8
129.10197	0.8
131.03387	1.9
131.08539	12.3
133.10092	24.2
134.10435	0.4
135.11662	19.3
137.09624	1.5
137.13234	3.4
139.11159	15.5
140.11554	0.4
141.01801	59.0
142.02164	0.6
142.07782	0.5
143.08534	5.5
144.09288	0.5
145.04938	15.5
145.10098	18.1
146.10583	0.6
147.11665	18.7
149.09650	0.8
149.12038	0.8
149.13234	24.2
151.11177	2.1
151.14774	0.4
153.12772	0.8
155.08531	1.4
156.09319	0.4
157.10109	7.5
159.02870	8.7
159.11664	24.0
161.09581	0.6
161.13222	22.7
162.13611	0.4
163.05972	16.3
163.11128	4.0
163.14769	7.4
165.12758	2.9
167.14333	0.6
169.10039	2.4
170.10950	0.5
171.11644	8.1
172.12297	0.5
173.13219	14.8
174.13750	0.5
175.11299	0.5
175.14787	18.2
176.15187	0.5
177.03925	2.7
177.12764	3.7
177.16354	13.3
179.14323	0.4
180.29486	0.4
183.11658	3.3
185.13222	7.5
186.13847	0.5
187.14771	12.9
189.12762	0.5
189.16333	9.8
191.14249	3.9
191.17897	4.0
193.15851	2.1
195.11606	0.5
195.17421	2.6
197.13208	3.4
199.14778	7.7
201.16365	18.9
203.14287	2.5
203.17915	11.4
205.15839	6.6
205.19666	0.6
207.17407	4.9
209.13229	0.7
211.14809	2.9
213.16359	7.5
215.17918	14.9
216.18256	0.4
217.15897	2.1
217.19492	4.6
219.17398	14.9
219.19499	0.7
221.18991	0.6
223.14854	0.6
225.16228	3.7
227.17899	11.0
228.42816	0.4
229.19449	3.3
231.17375	4.7
233.19003	3.3
237.16405	0.5
239.17921	2.3
241.19420	2.9
243.17461	1.7
243.21045	1.9
245.18951	18.4
247.20541	0.4
251.18015	0.6
253.19551	2.5
255.20985	4.9
257.18997	2.3
259.20560	3.5
265.19601	0.5
267.21106	2.2
269.19775	0.5
269.22650	3.8
271.20468	3.6
273.22119	4.7
279.21008	0.8
281.22583	1.8
283.20541	1.7
283.24026	0.6
285.22073	4.2
287.23621	0.7
293.22733	0.8
295.24179	2.0
299.23627	3.3
303.06979	0.5
309.25687	0.5
311.23608	1.5
313.25226	3.4
321.08115	3.7
325.11230	0.6
327.26907	1.7
339.09241	1.4
351.17776	0.4
351.26617	0.4
363.30411	2.3
365.19727	0.6
381.31387	6.8
403.33533	3.8
409.34555	3.7
421.34564	50.8
422.35083	3.4
439.35617	100.0
440.35931	5.1
457.36655	1.4
579.36700	2.4
597.37720	15.3
598.38123	0.6
615.38965	1.4
858.46405	0.4
990.99200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05433	14.5
69.03352	11.5
69.06984	10.9
70.06511	24.1
71.01251	1.9
71.04911	41.3
71.06837	1.4
72.08069	2.2
73.02824	7.6
75.04384	6.2
79.05399	9.4
81.03333	6.8
81.06976	29.9
83.04909	13.0
83.08543	5.2
84.04428	4.8
84.08085	7.6
85.02828	82.8
86.09630	7.2
87.09919	1.1
91.03869	4.3
91.05406	8.9
93.06973	25.9
95.01258	21.1
95.04895	5.0
95.08538	57.5
95.09150	1.9
97.02827	17.6
97.06459	5.7
97.10087	2.5
99.04380	5.2
99.08032	1.6
101.02299	1.6
105.06980	31.0
107.07873	1.8
107.08545	39.4
109.02847	10.0
109.06452	1.6
109.10107	36.1
110.07117	7.6
111.04384	8.3
111.08032	13.6
113.02319	1.8
117.06988	3.9
119.08534	51.5
120.08058	5.7
121.10092	29.5
123.08044	4.2
123.11662	11.8
125.09574	1.5
127.03893	8.5
129.05464	13.1
129.06970	1.0
129.10201	5.9
131.08549	19.7
133.10094	38.7
135.08075	1.3
135.11665	21.8
136.07603	1.2
137.09601	2.3
137.13226	5.2
139.11113	2.2
141.01805	44.2
142.07823	2.0
143.08536	9.5
144.09256	1.6
145.04898	2.3
145.10118	26.3
147.06470	5.5
147.11659	28.2
149.13246	19.7
155.08421	1.1
156.09271	1.4
157.10074	18.3
158.10902	2.0
159.02876	5.9
159.11665	34.0
160.12157	1.2
161.09662	2.1
161.13225	37.5
162.13667	1.1
163.05966	4.7
163.11142	5.2
163.14783	16.1
165.12817	1.2
169.10063	4.4
170.10803	1.3
171.11621	15.3
173.13225	37.3
174.13536	1.6
175.11136	2.3
175.14769	25.0
177.12738	1.9
177.16342	7.9
183.11653	7.6
184.07353	1.2
184.12294	1.1
185.13225	14.6
187.14798	26.8
188.15176	1.4
189.16367	17.5
191.14342	2.1
191.17952	1.6
193.12160	1.5
197.13257	6.6
199.14754	9.7
201.16360	14.5
203.14256	4.5
203.17923	10.1
205.15819	7.0
205.19487	1.3
207.14032	1.2
207.17448	2.4
211.14833	5.4
213.16359	12.8
215.14281	5.7
215.17929	9.9
217.15923	7.4
217.19473	5.6
219.13742	1.5
219.17499	4.8
221.15355	24.6
221.18993	1.3
223.14767	1.2
225.16376	4.6
227.17995	1.8
231.04868	1.6
231.17374	12.9
233.15352	1.4
233.19119	1.6
241.19461	1.4
243.17279	4.6
247.16727	1.6
249.18518	2.4
253.19554	1.6
261.18396	6.9
271.20584	1.3
283.20560	2.4
305.08505	1.8
311.37683	1.3
327.23227	1.3
379.29883	2.3
395.29141	1.4
397.30984	9.5
401.31897	1.2
407.32895	7.0
419.33041	18.9
420.33139	1.7
425.33997	14.8
426.34979	1.1
437.34070	100.0
438.34412	9.8
455.35120	53.4
456.35324	5.0
473.36154	2.0
595.35767	7.0
596.36591	1.6
613.36963	5.0
841.89276	1.4
873.08142	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05418	18.1
69.03342	12.2
69.06975	13.0
70.06516	86.4
71.04919	37.2
71.06816	2.5
72.08051	6.2
74.05981	3.2
76.33123	2.7
77.90952	2.4
79.05400	11.5
81.03339	5.7
81.06974	34.8
83.04890	14.6
84.04427	25.3
84.07600	3.5
84.08065	59.5
85.02348	4.5
85.02830	100.0
86.09618	31.6
91.03870	5.3
91.05407	13.3
93.06979	24.6
95.01275	21.8
95.04896	2.9
95.08537	68.5
97.02832	24.4
97.06513	3.2
98.06023	3.8
101.07085	3.4
102.05463	7.3
105.06987	36.7
107.08550	51.8
109.02823	17.2
109.06448	3.1
109.10122	43.4
110.07103	19.9
111.04372	5.9
111.08009	11.8
119.08542	42.3
120.08031	12.6
121.10093	40.3
123.11676	11.5
127.03894	6.6
129.05472	7.0
129.10222	37.6
131.08522	10.9
133.10091	36.7
135.11674	26.5
136.07542	14.6
137.09599	3.5
141.01791	45.1
143.08554	5.9
145.10106	30.2
147.06529	4.5
147.11641	28.6
149.13251	23.3
157.10150	3.8
159.02742	4.1
159.11664	29.4
161.13297	23.8
163.05991	3.6
163.11076	4.0
163.14795	10.6
171.11490	12.8
173.13222	14.4
175.14760	14.5
177.12767	3.1
177.16356	13.7
185.13225	4.8
187.14732	15.9
189.16382	14.7
191.17918	14.2
199.14783	3.9
201.16351	16.3
203.17940	16.0
205.15828	4.3
215.17935	5.6
217.19548	4.4
219.17343	6.6
227.17897	5.2
229.07330	3.5
231.17357	3.2
245.18896	4.6
302.97189	3.0
381.31439	3.5
402.41776	3.3
421.34598	37.9
438.34396	4.0
439.35510	53.2
456.35458	4.8
457.36609	63.5
597.36798	11.5
611.34668	3.0
615.38812	7.2
621.08392	3.4
703.55408	3.6
864.22571	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	959.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05426	15.0
69.03355	5.4
69.06981	12.1
70.06509	17.1
71.01259	4.3
71.04909	54.2
72.08056	3.6
73.02819	8.6
75.04398	6.5
79.05402	10.7
81.03329	4.0
81.06506	1.5
81.06974	35.0
83.01262	0.8
83.04899	17.6
83.08556	7.1
84.04419	2.9
84.08053	3.7
85.02828	100.0
85.06466	1.6
86.03140	0.7
86.09626	5.8
87.04395	1.7
91.03883	6.7
91.05392	12.1
92.10237	0.8
93.04499	0.8
93.06973	32.1
95.01257	28.6
95.04889	2.9
95.08534	69.0
96.08903	0.8
97.02823	12.9
97.06482	1.5
97.10107	4.1
99.00742	3.2
99.04399	1.0
99.08025	1.6
101.02345	1.4
103.03878	4.3
105.06979	28.4
107.08539	46.8
109.02823	4.4
109.06451	1.5
109.10105	53.3
110.07105	4.3
111.04375	11.7
111.08035	12.7
113.02319	4.3
113.05988	1.1
115.08658	0.9
117.06957	3.3
119.08534	36.3
120.08053	3.3
120.08848	0.7
121.06470	1.5
121.10101	36.9
123.00742	1.2
123.08002	1.5
123.11655	16.1
125.09621	3.7
127.03891	8.1
129.05434	14.9
129.06934	0.8
129.10217	1.2
131.03380	1.1
131.08524	10.2
133.10098	38.4
135.11664	31.0
137.09584	3.0
137.13255	5.4
139.11156	4.7
141.01802	62.6
143.08566	4.7
144.09346	1.1
145.04950	4.1
145.10104	24.9
147.06497	7.2
147.11655	29.1
149.09578	3.6
149.13239	28.8
151.11157	4.9
151.14876	0.8
153.12662	1.1
156.09300	1.1
157.10100	8.7
159.02869	7.8
159.11665	27.1
160.12115	0.8
161.09589	0.9
161.13217	28.2
163.05975	6.0
163.11125	4.2
163.14786	12.7
165.07613	0.8
165.12735	3.8
169.04942	0.9
169.10083	1.3
170.10867	0.9
171.11607	7.6
173.13234	18.2
175.14777	17.6
176.15285	0.8
177.03900	2.7
177.12700	2.7
177.16341	13.3
185.13164	4.9
187.14790	13.4
189.16365	15.7
191.17952	6.8
193.15840	4.1
195.17403	3.3
197.13235	1.7
199.14816	7.2
201.16348	18.5
203.14206	1.0
203.17918	17.5
205.15839	5.9
205.19473	1.1
207.17400	7.6
213.16396	5.8
215.17854	9.3
217.15863	3.4
217.19444	5.5
219.17450	11.9
225.16319	1.4
227.17975	6.6
229.19521	4.2
231.17409	3.4
231.21019	0.7
233.18938	3.1
237.18532	0.8
239.17818	0.9
241.19313	2.8
243.17407	1.3
243.20964	3.7
245.18942	7.1
249.18626	1.1
253.19408	1.4
255.21056	1.1
257.18857	0.9
257.22845	0.9
259.20447	1.0
261.22150	1.4
263.19931	6.4
269.06387	1.0
269.22537	1.7
271.20468	0.9
273.22229	1.7
277.21857	0.8
281.22711	1.3
285.22171	1.1
287.07489	1.5
289.21463	1.3
291.23166	1.0
295.24115	1.0
299.23782	2.9
303.23007	1.4
305.08646	4.7
309.11819	1.1
309.25488	1.0
311.27341	0.9
313.25052	2.5
327.26862	1.0
331.26233	4.0
351.17712	1.2
363.30408	0.8
365.19244	1.0
381.31320	5.6
393.34851	1.5
399.32404	3.1
403.33337	3.7
409.34616	3.2
411.36032	1.4
421.34525	33.9
422.35068	1.1
427.35385	1.4
439.35605	68.6
440.35797	1.8
441.37106	1.2
457.36658	72.5
458.36841	4.7
579.36926	1.5
597.37848	7.1
615.29639	1.1
615.38824	15.2
812.91895	0.8
956.36017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05073	0.9
67.05428	19.2
69.03349	11.7
69.06987	14.9
70.06507	3.3
71.01263	2.2
71.04912	2.7
71.06820	0.4
71.08553	0.6
73.02831	20.0
79.05407	12.3
81.03340	3.5
81.06976	41.4
83.01266	1.2
83.04896	0.9
83.08533	10.4
84.08069	1.1
85.02828	93.9
85.06467	0.9
86.03162	0.4
86.09644	0.9
87.04407	1.1
91.03880	33.9
91.05399	11.4
92.10938	1.7
93.06972	36.5
95.01258	39.4
95.04899	3.1
95.08533	87.8
96.08878	0.8
97.02821	35.3
97.06480	0.8
97.10100	5.4
99.00751	4.1
99.04359	3.4
99.08006	1.0
101.02323	3.2
103.03885	5.3
103.05378	0.8
105.06973	38.6
107.08539	59.8
108.08835	0.5
109.02827	4.4
109.06468	3.2
109.10107	65.3
110.10451	0.5
111.08035	12.1
111.11670	1.1
113.02314	5.9
113.09602	0.6
115.03881	2.0
117.06964	2.1
119.08535	49.2
120.08068	0.8
120.08864	0.9
121.10099	49.2
122.10468	0.6
123.00711	1.9
123.08022	2.1
123.11652	22.3
125.09592	2.1
127.03873	17.3
128.06117	0.5
129.06970	2.1
131.03368	3.9
131.08540	13.5
133.10095	45.0
135.11658	35.7
137.09592	1.1
137.13220	6.1
139.11177	5.6
141.01805	100.0
142.02161	1.0
143.08548	3.9
144.09256	0.6
145.04936	19.0
145.10109	21.6
147.11665	34.2
149.09673	0.5
149.13234	28.6
150.13570	0.6
151.11147	2.6
151.14812	1.0
153.12744	0.7
157.10063	6.1
158.10782	0.5
159.02849	11.1
159.11664	28.0
161.13220	34.8
162.13573	0.6
163.05980	24.7
163.11177	2.0
163.14790	24.4
165.12669	4.2
165.16432	0.6
169.10159	0.6
171.11658	6.4
172.12364	0.9
173.13226	20.7
174.13907	0.7
175.14780	26.4
177.03874	4.7
177.12730	1.9
177.14836	0.7
177.16348	19.2
179.17889	0.6
183.11671	0.9
185.13161	4.0
186.14017	0.8
187.14793	15.1
189.16345	23.8
191.14362	0.9
191.17909	8.9
193.15883	3.2
195.17409	3.1
197.13269	0.9
199.14784	5.1
201.14494	0.8
201.16360	21.6
202.16779	0.7
203.17931	34.6
204.18272	0.8
205.15849	5.0
205.19441	3.5
207.17407	6.2
211.14801	2.0
213.16342	5.2
215.17915	16.5
217.15968	1.0
217.19478	15.0
219.17447	9.7
219.21114	0.6
221.18976	6.4
225.16357	1.0
227.17854	6.5
229.19467	19.6
230.19820	0.8
231.17430	0.7
231.21037	2.4
233.18947	6.3
235.20486	0.7
239.17891	0.8
241.19490	4.1
243.21071	6.8
245.18910	2.3
247.20494	8.9
253.19466	2.0
255.20981	4.4
257.22549	5.9
259.20502	0.9
261.21985	3.3
267.20981	1.1
269.22617	4.8
271.20560	0.7
271.24106	2.5
273.22034	2.0
275.23660	1.1
281.22485	2.1
283.24017	2.7
285.05902	0.5
285.22018	0.8
287.23566	0.9
293.06842	0.5
295.24133	2.3
297.25708	2.3
301.25137	0.8
303.06961	0.7
309.25540	1.8
311.27222	1.1
313.25198	1.1
315.26752	4.3
321.08115	4.0
325.11148	0.6
327.26520	0.8
329.28348	1.7
339.09067	2.7
351.30463	0.7
365.31949	3.5
383.33014	5.2
405.35086	12.0
411.36047	2.8
423.36145	84.5
424.36545	5.2
441.37189	76.2
441.42273	0.7
442.37558	5.4
545.60114	0.6
581.38367	7.3
582.37250	0.6
599.39288	20.0
600.39294	1.2
617.39606	2.1
781.90680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01787	0.5
67.05076	0.6
67.05432	15.2
69.03345	5.0
69.06984	10.3
70.06509	12.1
71.01275	3.2
71.04910	45.7
73.02835	8.8
73.06394	0.5
75.04401	5.8
79.05408	11.7
81.03336	2.4
81.06976	41.5
83.01245	0.7
83.04899	16.4
83.08530	4.8
84.04433	0.8
84.08061	2.7
85.02827	100.0
85.06451	0.7
86.06016	0.5
86.09622	1.8
87.04395	0.9
88.68230	0.5
91.03886	10.9
91.05404	11.6
93.06370	0.6
93.06973	36.6
95.01258	30.4
95.04893	3.9
95.08534	74.2
96.08907	0.6
97.02831	14.8
97.06461	9.8
97.10096	4.1
99.00752	1.9
99.04390	3.0
101.02338	2.0
103.03875	4.1
103.05424	0.5
105.06974	44.5
107.08537	55.7
108.08899	0.5
109.02831	2.4
109.06481	3.4
109.10109	48.7
110.07073	0.8
111.04396	8.9
111.08035	11.2
111.11687	0.8
113.02319	5.1
115.03958	0.6
115.08674	0.4
116.20579	0.5
117.06956	4.2
119.08537	47.9
120.08028	0.6
120.08875	0.6
121.10098	39.6
123.00775	1.2
123.04308	0.8
123.08023	1.1
123.11663	14.2
125.02369	0.7
125.09551	4.2
127.03875	7.0
128.06114	0.5
129.05446	16.6
129.06990	2.1
129.10222	0.8
130.07742	0.6
131.03375	2.3
131.08536	14.1
133.10098	38.1
135.08017	0.8
135.11667	26.2
137.09563	1.1
137.13216	3.8
139.11182	2.8
141.01807	66.6
142.02177	0.8
142.07733	0.5
143.08527	5.4
144.09293	1.9
145.04944	6.0
145.10103	38.0
146.10628	0.5
147.06459	5.2
147.11667	35.9
148.12048	0.7
149.09570	0.9
149.13237	42.8
150.13512	0.9
151.11165	2.8
153.12730	0.7
155.08469	0.6
157.10086	11.7
158.10889	0.9
159.02844	8.6
159.11668	33.9
159.13010	1.1
160.12262	0.7
161.13220	30.7
162.13567	0.9
163.05984	7.1
163.11154	1.0
163.14792	10.8
165.07556	0.8
165.12715	2.3
169.10127	3.7
170.10867	0.5
171.11649	8.3
172.12367	1.0
173.13220	22.1
173.14659	0.9
174.13934	0.5
175.14781	21.4
175.16267	0.8
177.03908	2.6
177.12733	1.0
177.16333	12.9
179.14316	2.1
183.11652	4.8
185.13211	8.8
187.14778	17.5
189.12843	0.7
189.16345	27.5
190.16600	0.8
191.14275	2.9
191.17943	5.7
193.15848	6.0
193.19608	0.5
195.17462	1.1
197.13217	4.4
199.14790	9.1
201.16342	19.3
203.14365	2.4
203.17949	15.9
205.15860	11.3
205.19467	1.7
207.17416	13.3
211.14761	2.7
213.16350	8.7
215.17918	16.5
215.19975	0.6
217.15892	2.8
217.19444	6.6
219.17427	9.2
221.18866	3.3
223.14859	1.0
225.16373	2.7
227.17960	6.0
229.15865	0.9
229.19470	5.8
231.17430	4.5
231.21056	1.1
233.18967	10.5
237.16344	0.7
239.17966	1.9
241.19469	3.1
243.17400	2.4
243.21010	1.8
245.19009	8.1
247.16951	0.5
247.20433	3.9
249.18523	1.0
253.19527	2.2
255.08521	0.8
255.21019	3.5
257.19073	1.0
257.22525	1.0
259.20483	3.9
261.21973	1.4
263.19949	0.5
267.21149	3.1
269.06570	0.8
269.22589	2.4
271.20541	2.7
271.23828	0.5
273.09506	0.9
273.22223	3.3
277.21667	0.5
281.22556	1.8
283.20667	0.7
283.24051	0.5
285.22159	3.8
293.22812	0.6
295.24161	0.8
297.22202	0.7
297.25543	0.6
299.23654	2.0
305.08691	2.5
309.11755	0.9
309.25726	0.5
311.27350	0.8
313.25244	2.2
321.08160	1.1
323.09851	0.5
327.26892	0.6
339.09113	1.0
351.17981	0.6
363.30475	3.8
365.19235	1.5
379.29489	0.7
381.31479	6.6
399.32715	1.7
403.33609	4.5
405.35056	1.0
409.34744	6.0
421.34592	38.8
422.34937	2.1
423.36154	11.3
424.36563	0.7
427.35849	3.2
439.35632	55.8
440.36081	2.9
441.37177	11.8
457.36670	49.3
458.37000	2.6
579.37000	4.6
581.38031	0.8
597.37744	10.7
599.39423	3.0
615.38672	5.8
633.39551	0.8
813.46313	1.6
829.22327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05421	17.3
69.03344	6.1
69.06984	13.0
70.06509	55.4
70.71938	1.0
71.01257	2.8
71.04908	55.0
71.06841	2.3
71.55988	0.9
72.05218	1.3
72.08071	10.6
73.02831	9.6
75.04400	6.7
79.05399	12.6
81.03336	2.5
81.06977	47.2
82.06531	1.0
82.07307	1.4
83.04897	21.6
83.06015	2.4
83.08527	7.2
83.08971	1.0
84.04428	6.3
84.08067	13.7
85.02825	100.0
86.03166	4.4
86.05972	5.0
86.09617	11.9
87.00706	1.0
87.04388	1.2
87.05546	1.4
91.03896	8.3
91.05389	14.1
93.06973	38.0
94.07279	1.6
95.01257	25.2
95.04889	4.8
95.06023	1.2
95.08532	65.6
96.08881	2.0
97.02824	20.6
97.06450	2.5
97.10085	4.5
99.00745	1.7
99.04362	2.0
99.08015	1.5
101.05961	1.5
102.05492	2.5
103.03864	4.4
105.06976	39.5
106.07294	2.3
107.08540	52.2
108.08875	4.5
109.02828	9.4
109.06465	6.5
109.10104	50.4
110.07137	12.0
110.10421	1.8
111.04402	11.7
111.08041	18.4
111.11677	1.3
113.02317	1.7
115.03905	1.2
115.08632	1.8
117.06987	5.0
119.08536	49.8
120.08054	12.2
120.08888	5.6
121.06534	1.5
121.10094	49.3
122.10436	2.0
123.08028	1.3
123.11647	14.6
125.07093	1.4
125.09561	2.7
126.05384	1.2
127.03866	7.7
128.06198	1.6
129.05432	19.1
129.06937	1.4
129.10196	6.3
131.08531	19.1
133.10094	49.2
135.11652	30.8
136.07549	1.3
136.11996	1.2
137.09581	4.5
137.13237	2.4
137.25562	1.1
139.11226	1.9
141.01799	55.0
142.02126	1.6
143.08559	8.2
143.11807	1.4
144.09337	1.7
145.04953	4.4
145.10117	33.7
146.10446	2.4
147.06538	5.0
147.11667	38.0
148.12038	2.4
149.09558	1.7
149.13245	22.1
150.13643	1.8
151.11148	2.6
155.08353	1.9
157.10092	15.0
158.10847	1.2
159.02872	7.9
159.11661	39.6
160.12073	2.0
161.09631	1.4
161.13203	34.1
163.05977	4.2
163.11169	2.2
163.14777	12.1
169.10083	4.2
171.11659	12.3
172.12117	2.1
173.13232	20.6
174.13579	2.7
175.11209	1.5
175.14777	29.1
176.15097	2.7
177.12643	2.7
177.16321	12.9
181.46754	1.2
183.11607	4.9
185.13184	9.3
187.14809	25.2
188.15225	1.8
189.16325	23.2
190.16843	1.1
191.14340	2.2
191.17918	28.8
196.15796	1.1
197.13145	2.2
198.13535	1.2
199.14818	8.4
200.15157	1.7
201.16364	19.2
203.14256	2.2
203.17896	15.1
204.18297	2.2
205.15865	14.5
207.17393	6.3
209.13235	1.3
211.14641	1.7
213.16380	9.4
214.16615	1.4
215.14462	1.2
215.17964	15.0
217.15950	3.4
217.19476	1.7
219.17441	12.8
221.15350	5.1
221.18864	1.3
225.16246	2.7
227.17969	4.9
229.19577	4.8
231.17390	6.8
233.18922	6.9
237.16281	1.8
241.19383	1.6
245.18886	4.6
249.18408	6.1
251.18065	1.5
253.19543	1.6
255.08710	1.5
255.21002	2.2
257.22586	1.4
263.19919	1.2
265.19550	1.5
267.20993	1.2
269.22690	2.1
277.19839	1.4
309.11514	2.0
311.23880	1.7
313.25101	1.8
363.30322	2.0
381.31519	5.1
397.31055	1.5
403.33405	4.2
409.34137	1.9
420.33405	2.2
421.34561	37.3
426.34393	1.7
427.35318	1.2
437.34113	10.2
438.34402	15.0
439.35519	47.1
440.36032	2.1
455.35315	3.7
456.35315	6.7
457.36618	35.3
458.36963	2.1
475.37708	6.5
530.11041	1.2
597.37518	5.4
615.38483	7.1
651.40808	1.6
724.23267	1.4
937.50836	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.522
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05430	15.3
67.26051	0.6
68.99705	0.8
69.03350	6.9
69.06992	13.7
70.06514	14.4
71.01268	3.0
71.04913	46.4
71.08572	0.8
72.05249	0.6
72.08066	2.6
73.02843	8.9
73.03207	1.0
75.04389	5.5
79.05417	10.0
81.03343	3.3
81.06979	38.4
83.01243	0.6
83.04906	18.7
83.08540	5.8
84.04430	3.2
84.08064	6.0
85.02831	100.0
85.06454	0.9
86.03162	1.4
86.09628	4.3
87.04378	1.5
91.03889	9.2
91.05398	10.8
92.10208	1.5
93.06975	32.9
95.01257	26.8
95.04911	4.2
95.08537	73.0
96.08873	1.4
97.02836	13.7
97.06492	1.0
97.10110	4.7
99.00765	2.7
99.04385	2.7
99.08012	1.0
101.02306	2.6
101.05994	0.8
102.05520	0.6
103.03889	3.2
105.06978	29.2
105.07656	1.3
107.08546	46.0
108.08877	1.2
109.02849	4.2
109.06461	2.8
109.10110	49.5
110.07121	4.5
111.04397	9.8
111.08031	11.9
111.11613	0.9
113.02323	4.9
113.09653	0.7
115.03899	1.0
117.06974	3.4
119.08542	34.8
120.08069	3.3
121.06506	0.7
121.10101	38.9
122.10457	1.1
123.00800	0.9
123.08019	2.9
123.11673	15.5
125.09615	3.4
127.03865	8.0
129.05438	14.0
129.06960	0.8
129.10251	4.5
131.03381	2.4
131.08545	11.8
133.10106	35.1
134.10446	0.6
135.08037	0.7
135.11670	30.9
136.07565	0.9
137.09616	3.1
137.13225	5.1
139.11198	4.8
141.01811	62.7
142.02106	1.1
143.08525	5.3
145.04944	4.9
145.10109	23.6
147.06537	7.0
147.11670	27.9
148.11969	0.6
149.09618	1.3
149.13237	24.1
149.14386	1.1
151.11169	3.1
151.14749	0.9
153.12657	0.9
155.08415	0.9
156.09334	0.8
157.10097	8.4
159.02879	7.1
159.11671	28.3
161.09593	1.3
161.13235	25.6
163.05998	6.4
163.11188	2.9
163.14803	11.7
165.12762	1.3
169.04834	0.8
169.10060	1.1
171.11671	6.5
173.13232	15.4
174.13779	0.7
175.11153	0.7
175.14806	17.8
177.03912	1.2
177.12761	1.2
177.16374	11.0
183.11620	1.4
185.13271	5.4
187.14787	12.1
189.12711	1.2
189.16357	19.8
191.14308	2.6
191.17928	6.7
193.15887	3.1
195.17429	3.4
197.13194	2.3
199.14725	5.0
201.16354	21.2
202.16734	0.9
203.14229	0.8
203.17937	17.3
205.15791	5.5
205.19637	0.8
207.17422	6.5
211.14897	1.3
213.16353	7.5
215.14418	0.8
215.17924	13.5
217.15916	3.5
217.19447	6.0
219.17426	11.4
221.18971	1.4
222.36632	0.6
223.14755	0.7
225.16362	1.4
227.17883	5.1
228.18138	0.8
229.15907	0.9
229.19548	4.1
231.17400	3.5
233.19017	5.5
237.16373	1.3
239.17973	1.4
241.19453	2.5
243.17409	1.3
243.21083	3.0
245.18994	10.0
247.20457	0.9
249.18410	0.9
253.19482	0.8
255.21056	3.2
257.18744	0.9
257.22739	1.1
259.20554	0.9
263.20050	5.4
269.22510	1.3
271.21030	0.7
271.24002	0.9
273.22095	1.4
277.21793	0.8
281.22610	0.8
285.22144	2.2
287.07639	1.1
295.24146	1.4
299.23798	1.5
303.23178	0.8
305.08646	4.9
307.23962	0.7
309.11679	2.3
313.25153	2.3
323.09787	1.1
331.26318	1.2
345.27670	1.3
363.30453	1.4
365.19464	1.0
369.31436	0.9
381.31485	5.6
391.33218	1.0
393.34872	0.8
399.32468	3.2
403.33569	2.7
409.34552	2.4
411.36057	1.0
421.34598	30.1
422.34912	3.7
423.36154	3.1
427.35751	0.9
437.33908	0.8
438.34543	0.7
439.35638	54.9
440.36105	4.7
441.32803	0.7
457.36722	63.4
458.36926	7.1
502.94061	0.7
567.39899	0.9
579.36353	1.5
597.37433	5.9
615.38727	12.8
616.39154	1.0
633.39709	1.1
771.54749	0.7
783.78748	0.7
945.32666	0.7
959.44781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05427	10.3
69.03340	4.8
69.06984	13.8
70.06509	44.2
71.01266	19.3
72.08066	19.6
73.02855	2.8
75.04380	2.4
76.55784	2.1
79.05412	8.0
81.06978	26.3
83.06040	2.7
83.08534	3.7
84.04420	8.5
84.08063	30.7
85.02355	2.9
85.02831	67.4
86.09619	22.1
87.05411	2.0
91.03867	2.3
91.05400	14.2
93.04459	2.3
93.06999	16.8
93.07460	2.3
95.01234	14.7
95.08539	45.6
97.02835	18.6
99.00776	3.2
101.02320	21.9
101.99772	2.0
102.05489	3.3
105.06979	26.6
105.54719	1.9
107.08550	30.5
109.02863	2.6
109.10115	31.4
110.07111	3.4
113.02306	14.6
119.08537	31.4
120.08049	26.2
121.10057	22.6
123.11657	13.8
127.03884	100.0
129.06813	2.2
129.10204	14.5
131.08514	4.9
133.10091	19.7
135.11646	13.6
136.07564	8.6
137.13248	3.0
141.01822	25.2
145.04953	21.1
145.10088	16.7
147.11673	20.8
149.13229	12.2
153.36217	2.4
157.10075	2.9
159.02861	15.0
159.11729	16.8
161.13235	17.0
162.93257	2.2
163.14824	3.1
173.04419	8.6
173.13223	11.9
175.14815	12.3
177.16338	8.9
184.07274	9.2
185.13136	2.3
187.14847	8.6
189.16322	12.2
191.17961	2.9
201.16356	18.6
203.17932	18.6
205.19464	2.5
213.16397	3.5
215.17964	8.5
217.15800	2.3
217.19536	13.4
219.04984	15.9
219.17401	2.5
227.17708	2.9
228.18312	2.4
229.19482	10.0
241.19606	2.9
257.22549	2.7
269.22498	2.6
297.25677	2.8
328.96741	2.4
405.35080	25.0
423.36182	45.6
492.35681	2.6
623.39569	2.7
641.39844	3.1
734.07349	3.0
785.44427	45.6
965.49365	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	969.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05424	9.9
69.03336	3.3
69.06985	8.8
70.06505	9.6
71.01256	3.3
71.04893	0.8
72.08060	3.6
73.02823	7.7
79.05410	7.7
81.03316	0.7
81.06970	27.7
82.06516	0.5
83.08536	5.6
84.04416	0.6
84.08044	6.0
85.02823	29.2
86.09611	3.5
87.05465	0.5
87.49318	0.5
89.57978	0.5
91.03874	11.9
91.05400	7.0
92.10229	0.6
93.04462	0.5
93.06968	25.1
95.00674	1.1
95.01250	25.7
95.04878	1.0
95.08530	52.5
96.08861	0.8
97.02814	12.3
97.10084	3.3
99.00739	2.8
101.02309	2.1
103.03852	2.4
103.05397	0.6
105.06969	23.9
107.08533	36.9
107.90942	0.5
109.02823	0.8
109.06451	1.3
109.10101	36.5
110.07085	2.3
111.08012	4.3
111.11652	2.9
113.02289	3.7
115.03835	0.7
117.06944	3.6
119.07663	1.1
119.08526	31.0
120.08054	2.9
121.10095	28.5
121.57124	0.6
123.00763	0.7
123.11656	15.6
125.09576	0.7
127.03884	6.2
127.04728	0.9
129.06931	0.9
129.10181	4.3
131.03352	2.4
131.08514	8.3
133.10091	25.0
134.10423	0.8
135.11661	18.6
136.07530	1.1
137.13202	3.8
139.11195	1.1
141.01797	48.5
142.02203	0.7
143.08510	3.0
144.09309	0.7
145.04892	5.1
145.09004	0.9
145.10098	16.5
147.11667	24.3
149.13235	14.1
151.11121	1.0
151.14684	0.7
157.10112	4.1
159.02811	5.0
159.11668	18.4
159.34756	0.5
161.13213	22.2
162.13731	0.6
163.05966	6.5
163.14778	11.4
165.12680	0.9
171.11653	6.1
173.13226	12.8
175.14774	15.4
176.15269	0.7
177.03871	0.7
177.16342	13.8
178.76430	0.6
179.17940	1.2
183.11676	1.0
184.07355	0.9
185.13228	4.5
187.14767	11.1
189.14777	0.8
189.16350	14.8
191.17931	6.1
193.15799	1.1
197.13173	1.2
199.14767	6.3
201.16347	19.1
203.17912	21.0
205.15878	4.0
205.19434	4.6
207.17383	1.3
211.14774	0.8
213.16348	5.1
215.17938	9.3
217.15849	3.4
217.19455	13.2
219.17409	4.1
225.16310	2.1
227.17918	7.9
229.19479	8.5
231.17484	0.8
231.20992	1.9
233.18910	2.3
239.17989	0.8
241.19426	4.7
243.21014	7.2
245.18901	2.5
245.22716	0.6
253.19443	1.2
255.20998	6.4
257.22607	5.3
259.20456	1.0
267.21060	1.3
269.22571	7.0
271.23901	1.0
281.22668	0.9
283.24094	3.0
295.24164	2.1
297.25650	2.6
311.27234	0.9
313.25089	1.0
333.40295	0.6
365.32007	8.5
405.29950	1.0
405.35086	22.4
406.35199	1.3
423.36111	100.0
424.36502	6.1
441.36948	1.3
581.38116	7.0
599.39246	9.1
600.39825	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05428	14.2
69.03337	3.8
69.06983	12.1
71.01279	3.9
71.04908	40.5
73.02830	7.7
75.04388	5.6
76.56266	0.6
79.04921	0.7
79.05399	9.1
81.03339	0.7
81.06973	32.9
81.07452	1.1
83.01248	0.7
83.04433	1.0
83.04897	18.0
83.08543	7.7
85.02827	84.4
86.03180	0.7
86.09603	0.6
87.04380	2.5
91.03880	6.0
91.05402	8.4
93.06972	27.4
95.00672	1.0
95.01251	25.4
95.04891	2.3
95.08532	66.1
96.08865	1.4
97.02824	9.4
97.06428	1.0
97.10110	5.1
99.00741	1.3
99.04382	0.6
101.02295	2.0
101.05962	0.6
103.03856	3.7
103.05385	0.7
104.10637	0.9
105.06974	29.1
107.08540	43.9
109.02834	1.3
109.06443	1.3
109.10102	37.5
111.04384	8.4
111.08035	7.1
111.11672	0.9
113.02303	3.9
117.06962	2.9
119.08540	37.0
121.09219	1.2
121.10098	33.6
122.10483	0.7
123.00709	0.9
123.08009	0.8
123.11658	17.0
124.99877	0.6
127.03860	4.5
129.05440	12.5
129.06929	1.2
131.03291	1.0
131.08528	10.4
133.10092	29.6
135.04347	0.6
135.10638	1.2
135.11655	27.7
137.13245	5.3
139.03893	0.6
139.11160	2.0
141.01805	54.4
143.08511	4.7
144.09386	0.7
145.04939	3.3
145.10097	16.7
146.10434	0.6
147.06477	5.0
147.11670	28.8
148.11917	0.8
149.13237	17.5
151.11198	0.7
151.14792	1.2
157.10095	5.9
158.10872	0.7
159.02859	7.5
159.11661	21.5
160.12218	0.7
161.13220	22.0
162.13513	0.8
163.05965	6.2
163.14775	10.0
165.12726	0.9
169.10110	1.0
171.11646	5.3
172.12334	0.6
173.13219	17.8
175.14778	14.7
177.03893	1.0
177.16336	14.7
179.17818	0.6
183.11690	1.2
184.07285	1.1
185.13268	5.0
187.14786	15.2
189.16354	15.5
191.17928	5.9
193.15981	0.9
197.13260	0.8
199.14763	5.2
201.16345	24.0
203.15965	0.9
203.17903	23.9
203.19685	1.1
205.15825	2.7
205.19531	1.4
207.17361	1.3
211.14847	1.1
213.16331	6.6
215.17909	14.3
217.15868	1.2
217.19473	9.6
219.17393	3.6
225.16357	2.5
227.17865	6.9
229.19489	13.7
231.21071	2.2
233.18932	1.0
239.17810	1.2
241.19426	5.6
243.21010	11.9
245.18829	1.3
247.20544	0.7
253.19377	1.3
255.08664	0.8
255.20998	7.8
257.22562	5.9
261.22058	2.7
264.64435	0.6
267.20999	2.0
269.22488	6.0
273.21951	1.0
283.24164	3.3
285.22141	0.9
287.07639	0.8
295.24237	1.3
296.35977	0.7
297.25739	1.1
305.08557	3.9
309.11700	1.2
311.27277	1.0
341.28577	0.8
365.32162	6.2
405.35129	24.7
406.35355	2.0
423.36130	100.0
424.36423	10.3
441.37076	0.7
449.37781	4.7
467.38675	5.2
549.77533	0.6
581.38239	14.0
582.38257	0.8
599.39429	6.6
625.40375	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	969.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05122	1.1
67.05431	17.3
69.03341	5.2
69.06995	15.6
70.06516	55.3
71.01275	2.2
71.04912	47.0
71.06846	2.2
72.08064	16.3
73.02836	8.6
74.06010	1.4
75.04390	4.2
79.05412	10.9
81.03349	1.3
81.06979	36.1
83.04903	13.1
83.06017	4.2
83.08548	8.3
84.04430	5.4
84.08068	17.9
85.02832	92.0
86.09629	15.6
87.04402	1.2
87.05534	1.3
88.03929	1.3
91.03867	6.2
91.05405	14.5
92.10257	4.8
93.04454	1.1
93.06437	1.5
93.06979	30.8
95.01261	28.5
95.04906	2.1
95.08540	70.7
97.02840	11.3
97.10075	3.8
99.00759	2.0
99.04396	2.3
101.02307	1.6
102.05464	1.1
103.03872	2.3
103.05389	3.6
105.06981	30.2
107.08544	54.5
109.02854	1.4
109.06403	1.1
109.09406	1.7
109.10115	40.4
110.07116	11.6
111.04397	10.0
111.08066	8.2
111.11678	1.1
112.08630	1.4
113.02314	5.1
115.03865	1.1
115.08622	1.3
116.06952	0.8
117.06966	1.3
119.08544	39.9
120.08064	23.4
121.08379	3.9
121.10108	39.3
123.11674	16.9
127.03886	4.6
129.05440	11.7
129.06918	1.1
129.10211	9.3
131.03368	1.3
131.08540	12.6
133.09167	1.6
133.10106	31.8
135.11674	26.4
136.07590	6.7
137.09612	1.4
137.13211	5.7
139.11119	1.3
141.01814	58.9
142.07669	1.0
143.08519	4.4
143.11752	1.9
145.04933	3.6
145.10098	19.7
147.06473	4.9
147.11676	24.7
149.13239	16.1
151.11154	1.3
155.08203	1.3
157.10083	8.4
159.02875	7.9
159.11685	24.0
161.11987	1.3
161.13242	24.7
163.05978	4.2
163.14806	12.5
169.09973	1.3
171.11638	7.2
173.13234	21.5
175.14790	15.5
177.03848	1.1
177.16357	15.6
183.14822	1.3
185.13202	6.0
187.14796	13.8
189.16365	17.9
191.17955	6.7
199.14748	7.5
201.16368	24.6
203.16188	1.7
203.17921	29.6
203.19676	1.6
205.15887	3.2
205.19438	1.5
207.17227	1.5
211.14754	1.5
213.16341	7.2
215.17920	13.2
217.19513	13.6
219.17450	3.7
225.16359	1.2
227.17935	9.2
229.19431	13.1
231.20956	1.2
241.19487	5.3
243.20990	11.8
253.19539	1.6
255.20982	8.9
257.22552	5.5
267.20917	1.4
269.22607	8.9
281.22580	1.6
283.24051	2.1
295.24155	1.7
297.25580	1.5
299.23343	1.0
305.08600	1.2
311.27429	1.5
313.25012	1.1
335.27017	1.0
365.32083	6.7
405.29892	1.2
405.35114	26.6
406.35068	1.1
423.36145	100.0
424.36472	8.0
449.37561	2.0
467.38568	4.8
569.42609	1.1
581.38507	11.8
599.39801	7.8
600.38794	1.0
625.40680	1.4
822.13434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5662
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05119	0.5
67.05428	7.3
69.06994	6.4
70.06498	1.8
70.24625	0.3
71.04893	0.4
71.08546	18.4
72.08073	0.5
75.04373	0.4
75.11542	0.4
81.06973	9.2
81.89930	0.4
83.08535	5.9
84.08082	0.5
85.10100	11.5
86.09608	2.7
89.05944	1.9
92.10315	0.5
93.06927	0.6
95.08531	14.5
97.09540	0.4
97.10091	3.5
98.98399	34.0
100.87646	0.4
103.07503	0.4
104.10732	0.6
105.04913	0.4
109.10110	6.1
110.07054	0.4
111.11694	0.6
116.99458	2.2
120.08053	0.7
121.10108	0.5
123.11657	2.1
126.21918	0.4
135.11642	0.6
136.99934	0.4
137.13220	0.5
141.01796	0.6
155.01022	15.4
173.02045	3.7
184.07281	1.9
214.37639	0.4
229.04630	0.6
239.23688	2.5
257.24680	0.8
266.71732	0.4
297.76907	0.4
313.27307	100.0
314.27618	5.7
393.23978	1.0
449.26556	14.0
450.26932	0.5
467.27863	0.9
641.33636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6091
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06988	22.1
73.02840	2.9
79.04959	5.2
79.05404	96.8
81.06973	86.9
81.79800	2.8
83.08547	8.3
83.98083	3.0
85.02845	24.2
85.06520	3.1
91.03866	16.4
91.05411	66.5
93.06968	100.0
95.04877	12.5
95.08528	67.7
97.02806	7.3
105.06976	93.0
107.08534	48.0
109.06441	4.0
109.10102	23.3
113.39955	3.1
117.06969	29.5
119.08534	68.7
121.10091	28.9
124.29346	3.2
129.06931	8.3
131.08534	34.9
133.10089	52.0
135.11644	20.0
143.08533	7.9
144.09399	3.7
145.04845	3.9
145.10094	22.2
147.11638	29.1
149.13205	5.8
155.08640	4.2
157.10136	6.9
159.11674	22.0
161.13242	20.8
163.11009	3.5
169.09949	4.2
171.11697	4.9
173.13251	15.7
175.14742	4.9
185.13248	6.9
187.14722	5.1
199.14813	4.8
241.19458	14.0
257.34595	4.0
259.20453	47.2
261.22150	5.6
266.39182	4.5
315.23123	3.5
333.24075	36.8
335.25699	46.9
344.86960	3.8
356.51318	3.1
593.45605	7.4
611.46643	97.1
612.46997	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	971.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03355	4.2
69.06985	10.3
70.06510	6.8
71.01260	3.1
71.04911	45.0
71.08578	0.6
72.08076	3.6
73.02831	6.6
75.04384	5.0
79.05404	8.2
81.03348	0.6
81.06976	31.6
83.01241	0.6
83.04443	0.7
83.04902	14.3
83.08540	5.8
83.17220	0.4
84.04430	1.0
84.08070	7.7
85.02830	86.1
86.09624	4.7
87.04382	2.1
87.05515	0.6
88.03958	0.5
91.03882	7.7
91.05395	9.6
93.06970	24.8
95.01254	24.4
95.04871	1.9
95.08533	65.2
96.08879	0.6
97.02827	10.7
97.10099	3.4
99.00747	2.0
99.04401	0.9
101.02319	1.1
103.03876	2.8
103.05381	0.6
105.06977	24.4
107.08540	41.4
109.02824	0.9
109.06493	2.1
109.10109	37.6
110.07106	0.9
110.10380	0.7
111.04400	10.0
111.08042	6.1
111.11642	0.9
113.02312	4.4
117.06978	2.7
119.08540	32.8
120.08067	4.4
120.08846	0.7
121.10098	33.5
123.00745	1.0
123.04388	0.6
123.11661	15.0
127.03895	3.8
129.05452	13.7
129.06886	0.7
129.10233	3.6
131.03375	1.2
131.08537	9.4
133.10094	31.6
135.11652	20.5
136.07545	2.7
136.12003	0.6
137.13228	4.5
139.11145	1.2
141.01808	61.3
141.10278	0.8
142.07819	0.6
143.08563	2.6
145.04945	3.0
145.10106	15.3
147.06500	6.5
147.11667	25.8
149.13242	15.0
151.11148	0.6
157.04927	0.5
157.10095	5.8
158.10884	0.7
159.02841	7.4
159.11667	21.9
160.12187	0.5
161.13222	20.3
163.05969	4.6
163.11304	0.7
163.14804	9.9
165.12779	1.2
165.16425	0.8
169.09984	1.1
171.11641	5.6
173.13228	20.1
175.14775	13.8
177.03920	2.6
177.16342	12.7
179.18011	0.7
184.07243	0.6
185.09151	0.5
185.13240	3.6
187.14792	15.3
189.16357	16.3
191.14174	0.6
191.17931	6.3
193.15883	0.6
195.17464	1.2
197.13153	0.9
199.14792	5.7
201.16379	21.2
203.17935	25.4
204.18254	0.6
205.15843	1.3
205.19493	2.0
207.17444	2.4
211.14716	0.7
213.16367	5.5
215.17940	11.8
217.16011	1.8
217.19507	10.5
219.17435	4.4
221.19089	0.6
225.16293	1.7
227.17906	6.7
229.19469	14.4
231.21074	2.0
233.19148	0.7
239.17868	1.1
241.19513	3.9
243.21008	10.8
247.20529	0.9
253.19437	0.7
255.20985	6.0
257.22592	6.4
259.20462	0.6
267.21100	1.2
269.22574	9.3
271.24146	1.1
273.09674	0.8
275.19968	5.4
281.22522	1.2
283.24255	2.7
287.07532	0.8
295.24182	1.0
297.25757	2.9
303.23096	0.9
305.08694	3.4
309.11633	1.0
309.25595	0.6
311.27264	0.7
313.25253	0.7
343.26187	1.0
365.31979	6.9
405.35059	22.5
406.35651	1.2
411.32547	0.6
423.36139	100.0
424.36551	7.2
451.35648	9.3
469.36688	17.9
581.38306	16.1
582.38324	0.7
599.39307	6.3
627.38635	3.1
890.93109	0.7
970.62347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.5862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00601	1.0
69.06985	2.4
71.08537	9.0
72.04430	22.9
79.05413	2.3
81.06969	8.5
83.08506	1.0
87.16405	1.0
91.05402	1.6
92.10283	4.0
93.06964	7.1
95.08540	7.6
97.06445	1.3
99.08028	5.8
105.06936	1.9
107.08534	5.2
109.06450	6.4
109.10138	2.1
114.09122	4.1
119.08566	2.4
121.10080	1.5
128.10667	2.2
131.08421	1.1
133.10143	1.6
147.11726	1.1
165.12712	7.5
175.14807	2.0
184.07254	1.2
193.15703	1.1
209.44542	1.2
212.16515	1.2
238.21619	14.5
259.55338	1.2
291.23080	11.9
336.28909	100.0
337.29169	2.0
359.72772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	6.5
69.06980	11.2
70.06139	2.7
70.06509	51.9
71.01265	2.9
71.04911	52.9
72.08066	11.5
72.45987	1.4
73.02836	7.7
74.05981	2.1
75.04383	6.9
79.05414	9.5
81.03333	1.9
81.06975	36.4
83.01283	1.7
83.04895	20.1
83.06028	2.6
83.08554	2.8
84.04427	10.0
84.08067	16.5
85.02830	100.0
86.09636	12.3
86.67394	1.8
91.03873	6.5
91.05398	14.2
93.06973	38.9
95.01257	22.6
95.04860	3.2
95.08537	73.6
97.02811	11.9
97.06444	1.9
97.10104	2.1
99.04350	2.5
100.97980	1.7
102.05476	3.7
103.03854	2.6
105.06976	39.9
107.07864	3.4
107.08541	53.6
109.02811	3.0
109.06461	3.1
109.10117	41.8
109.65798	1.6
110.07108	18.7
111.04369	12.6
111.08053	10.0
113.02315	3.0
114.36916	1.8
117.06987	6.5
119.08547	64.0
119.76438	1.7
120.08054	4.1
121.10103	39.7
123.07991	2.3
123.11634	8.1
125.09551	2.3
127.03861	9.5
129.05441	15.4
129.10202	11.3
131.08549	20.9
133.09160	3.1
133.10097	45.9
135.11665	25.0
136.07581	2.1
137.09538	4.0
138.95615	1.6
141.01810	64.3
143.08488	9.9
145.04919	6.8
145.10110	52.2
147.06493	3.2
147.11681	39.2
149.13239	33.7
151.11121	3.1
155.08537	2.0
157.10152	17.7
159.02844	7.4
159.11673	44.5
161.09637	1.9
161.13228	36.0
162.10069	2.0
163.05995	6.7
163.14806	12.4
169.10146	1.9
171.11667	14.6
173.13252	32.7
175.14738	18.0
177.12726	2.1
177.16321	15.3
183.11610	3.3
185.13231	14.1
187.14786	37.3
189.12709	2.2
189.16345	36.3
191.14383	2.0
197.13251	4.2
199.14818	13.0
201.16339	51.8
203.17981	14.1
205.12125	2.1
205.15889	10.7
207.13829	6.2
207.17361	6.7
211.14827	3.1
213.16426	13.3
215.17929	8.4
217.15843	2.0
217.19595	2.3
219.13734	4.0
219.17340	4.1
221.15312	3.1
225.16408	3.1
227.17870	7.2
229.19630	2.4
233.15300	10.7
239.17792	2.5
241.19420	3.0
245.15407	2.3
247.16960	17.1
259.16882	15.3
273.18365	2.4
285.07501	3.7
285.18420	3.1
287.20026	7.1
299.19986	3.9
313.21524	2.9
327.23001	2.2
341.24387	2.9
342.90598	2.0
395.29306	8.1
407.33115	18.3
413.30383	2.4
423.32556	9.0
435.32495	59.1
436.32825	7.0
437.33765	2.2
441.33252	8.0
453.33578	86.4
454.33939	2.2
455.34821	3.8
471.34662	47.9
472.35278	2.2
565.35773	1.9
611.35437	3.7
616.01752	1.8
629.36108	3.9
647.36877	2.0
808.47198	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03340	4.7
69.06982	8.1
70.02866	2.2
70.06511	100.0
71.01242	1.2
71.04911	31.0
71.06828	2.3
72.08070	41.7
73.02827	5.4
73.08408	1.1
74.05995	15.8
75.04382	5.6
77.62791	1.0
79.05404	5.9
79.31127	1.1
81.03333	2.8
81.06971	22.9
83.04901	10.5
83.06022	11.0
83.08543	1.8
84.04013	1.5
84.04433	24.7
84.07599	1.6
84.08068	33.5
85.02826	66.9
85.08386	1.5
86.08591	1.0
86.09148	2.0
86.09632	41.0
87.04366	1.7
87.05516	5.4
88.03907	2.7
91.03874	2.7
91.05389	9.4
93.04440	5.9
93.06976	20.2
95.01252	16.2
95.04856	2.8
95.06012	1.8
95.07977	1.8
95.08537	40.2
97.02817	12.3
98.05967	1.3
99.04371	2.1
99.05472	1.6
101.07074	1.6
102.05452	6.1
103.03831	1.2
103.05429	1.2
105.03326	5.8
105.06979	20.2
107.08541	34.4
109.02802	4.2
109.10107	31.5
110.07114	71.2
111.04400	8.5
111.07400	2.3
111.08044	6.6
112.08665	2.2
113.02286	1.6
113.07053	2.2
115.08635	2.0
116.03391	1.1
119.08547	30.7
120.08056	12.5
121.10093	25.7
122.07114	4.8
123.11621	8.3
125.07050	1.7
126.05487	1.3
127.03862	6.2
127.04941	1.3
127.08615	7.0
129.05461	9.6
129.06339	1.7
129.10210	19.0
131.08534	9.3
133.10106	23.7
135.08055	2.0
135.11668	16.8
137.13187	1.4
139.04930	1.5
141.01813	31.0
141.06554	1.6
141.10182	1.8
143.08507	2.2
143.11778	4.8
145.04906	1.7
145.10080	19.5
147.06496	4.7
147.11679	21.5
149.13246	15.9
155.08167	5.1
155.11774	1.7
157.10138	10.7
159.02850	5.0
159.07660	1.9
159.11667	23.1
161.13210	21.5
163.05981	4.9
163.11130	1.6
163.14769	9.7
166.06151	1.8
169.10016	2.4
171.11522	11.9
173.13193	19.0
175.14775	12.5
177.16347	7.4
183.11552	2.9
183.14856	5.0
185.09233	2.1
185.13222	9.8
187.14742	16.7
189.16357	11.2
191.17900	6.6
193.12041	1.7
195.11441	1.4
197.13075	1.7
199.07089	2.3
199.14738	6.5
201.16307	18.0
202.16783	1.6
203.14313	1.7
203.17877	15.7
205.15862	2.4
207.17279	1.7
211.14648	2.8
213.08705	1.3
213.16406	8.4
215.14102	2.2
215.17885	6.3
217.08087	1.6
217.15849	2.4
217.19490	5.9
219.13663	2.4
219.17365	1.7
227.17946	2.3
228.13379	1.4
229.19379	1.4
231.17305	1.5
233.15337	7.2
247.16887	4.3
253.19194	1.3
254.14748	1.3
259.16800	1.8
273.18314	1.7
277.18097	1.4
305.08496	1.5
313.21701	1.7
395.29190	2.7
407.33069	8.0
413.30182	5.7
423.32324	2.0
425.33765	1.9
426.95926	1.3
435.32437	12.9
441.33905	8.9
453.33588	50.5
454.33502	1.6
455.34683	1.8
471.28030	1.9
471.34656	36.3
506.79999	1.2
552.84277	1.4
629.36530	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	973.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04983	0.7
69.03352	8.0
69.06648	1.1
69.06990	19.1
70.02888	0.8
70.06516	37.9
71.01275	1.1
71.04906	3.6
71.06840	1.6
71.08565	0.6
72.08073	10.0
73.02840	15.1
74.05984	1.4
78.23397	0.5
78.79282	0.6
79.05415	9.2
81.03335	4.4
81.06984	29.4
83.01286	1.3
83.04906	6.2
83.06019	1.5
83.08533	5.7
84.04427	7.1
84.08080	10.8
85.02833	66.5
85.06477	1.3
85.07697	0.6
86.03137	0.6
86.09634	14.1
87.04362	1.0
87.05531	1.0
87.68972	0.6
88.03898	0.6
91.03883	28.7
91.05406	9.0
93.04425	0.9
93.06979	25.0
95.00661	1.4
95.01261	31.7
95.04874	3.2
95.08537	60.5
97.02831	27.8
97.06452	1.4
97.10120	1.4
99.00762	2.8
99.04397	2.8
99.08038	1.2
101.02290	2.3
103.03884	3.4
105.06976	23.3
105.07657	1.0
107.08549	38.4
109.02866	5.7
109.06485	2.8
109.10113	38.9
110.05956	0.7
110.07120	14.3
111.08046	10.1
113.02332	4.5
115.03849	1.2
117.06989	2.7
119.08543	31.6
120.08051	6.4
121.06482	1.0
121.09217	1.3
121.10101	32.8
123.00753	0.7
123.08012	4.9
123.11672	10.4
125.09571	5.4
127.03882	15.1
129.10197	4.9
129.18942	0.7
130.62708	0.7
131.03397	1.2
131.08571	8.9
133.10101	30.6
135.07950	0.7
135.11659	23.1
136.07567	3.6
137.09598	4.9
137.13223	2.6
139.08714	0.8
139.11182	2.3
141.01814	67.6
142.02109	1.0
142.07735	0.7
143.08543	4.8
143.11789	1.3
145.04948	14.7
145.05988	1.1
145.10109	20.8
147.07967	0.9
147.11671	25.6
149.09615	3.5
149.13246	19.7
151.08607	0.8
151.11177	4.1
153.09148	1.1
155.08443	1.0
157.10117	9.5
158.10782	0.7
159.02856	8.0
159.11676	19.2
161.09567	2.4
161.13225	18.1
163.05986	17.0
163.11147	2.9
163.14777	6.9
165.12755	3.2
169.06290	0.6
169.10030	2.7
169.13354	0.7
171.11707	8.5
173.09186	0.7
173.13226	13.5
175.11177	2.9
175.14801	13.2
177.03946	2.9
177.12708	1.3
177.16379	10.0
179.14424	0.9
183.11661	4.1
185.13231	7.9
187.11035	1.4
187.14781	10.3
189.12781	2.6
189.16367	20.4
191.14182	2.2
191.17915	2.8
193.15862	4.5
195.11613	0.9
195.17439	2.5
197.13174	4.3
199.14799	6.7
201.12689	2.7
201.16367	17.5
203.14302	3.9
203.17937	11.3
205.15868	7.3
205.19545	0.9
207.17395	7.4
209.13229	1.0
211.14690	1.6
213.16383	4.8
215.14275	2.5
215.17903	6.5
217.15807	6.4
217.19441	1.4
219.17424	11.9
221.15421	0.7
221.19049	0.8
225.16360	3.0
227.17978	4.5
229.15878	2.5
229.19547	4.3
231.17371	4.8
233.18939	2.5
235.16934	1.3
239.18021	1.2
241.19470	1.3
243.17386	5.2
243.20990	0.9
245.18933	1.1
247.20511	3.1
249.18384	1.1
255.17488	0.8
255.20967	2.9
257.19043	1.5
259.16852	0.8
261.18469	11.7
267.17480	0.7
267.21024	0.7
269.18985	1.3
269.22443	0.9
271.20651	2.4
273.18393	2.8
273.22061	0.7
275.20029	3.5
283.20602	2.6
283.23962	0.7
287.20242	4.8
289.21536	3.7
291.17618	0.8
297.22214	0.8
299.20187	1.2
301.21524	3.5
303.06891	1.1
311.23666	1.4
315.23193	1.5
321.08136	3.5
325.11154	0.8
329.24747	3.9
335.27423	1.4
343.26224	1.2
353.28430	0.9
379.29910	1.3
397.30927	6.6
407.32974	1.3
409.34729	5.3
419.32883	7.2
425.33997	4.0
435.32666	1.2
437.34100	56.0
438.34546	2.3
453.33322	1.2
455.35144	100.0
456.35440	5.1
473.36261	1.5
572.54498	0.8
595.35828	1.5
613.37384	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	973.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03358	7.5
69.06998	12.7
70.02865	1.5
70.06508	51.5
71.01263	4.0
71.04911	47.7
71.06838	1.4
72.08072	22.1
73.02831	8.2
73.08404	1.2
74.05981	4.3
75.04386	6.3
79.05403	13.4
81.03333	3.7
81.06975	48.9
83.04897	19.5
83.06004	6.0
83.08539	3.9
84.04428	11.4
84.08069	17.1
85.02827	99.4
86.09627	26.1
87.00758	0.9
87.04389	1.8
87.05515	2.0
87.06788	0.8
87.09983	1.0
88.03910	1.6
91.03886	9.6
91.05395	11.6
92.10245	2.5
93.04458	1.5
93.06974	32.6
95.01258	24.9
95.04906	2.1
95.06016	1.2
95.08534	100.0
97.02821	16.4
97.06476	3.6
97.10134	1.6
99.00757	1.8
99.04366	1.9
101.05953	1.1
101.07064	1.9
102.05495	5.1
103.03865	4.0
105.06975	30.9
107.08540	57.0
109.02848	6.0
109.06499	1.5
109.10103	51.1
110.07119	27.8
111.04385	8.6
111.07393	1.1
111.08066	9.7
111.11728	1.2
112.08650	2.0
113.02331	3.6
115.08685	1.1
117.06956	2.1
119.08540	41.5
120.08060	5.4
120.08858	1.1
121.06466	1.2
121.10099	38.0
122.07116	1.4
123.00700	0.9
123.08005	3.5
123.11664	15.3
125.05907	0.9
125.09492	0.8
127.03898	9.4
127.08641	1.5
129.05450	18.4
129.06451	1.4
129.10185	9.7
131.03398	1.4
131.08549	13.7
133.10098	37.1
135.08026	4.7
135.11656	27.3
137.02316	1.0
137.13217	11.6
139.11162	4.2
141.01808	52.1
142.02191	1.0
143.08531	4.5
143.11751	1.0
145.05011	5.8
145.10106	34.5
147.06512	6.7
147.07780	0.7
147.10519	0.9
147.11665	27.9
149.09595	1.5
149.13248	22.8
153.12709	1.2
157.10097	10.8
158.10808	1.1
159.02882	8.0
159.11662	32.8
161.09550	1.6
161.13225	32.2
163.06070	6.2
163.07359	1.2
163.11182	1.1
163.14816	13.6
165.12752	0.9
167.08168	1.3
169.10136	2.0
171.11626	12.0
173.09343	1.5
173.13217	24.8
175.11128	1.3
175.14796	22.2
177.12709	4.1
177.16362	17.0
183.11722	3.0
183.14890	1.6
185.13242	9.1
187.11061	1.3
187.14775	24.2
189.12712	2.0
189.16370	17.5
191.14293	3.7
191.17957	4.0
193.12184	1.1
195.17386	9.2
197.13133	4.5
199.14786	11.8
201.16385	21.3
203.14217	3.1
203.17935	21.7
205.12256	2.0
205.15813	7.7
207.13808	1.0
207.17418	4.1
209.13257	1.3
211.14801	4.1
213.16383	17.9
215.14302	1.1
215.17889	11.3
217.15880	1.5
217.19482	6.8
219.13829	6.1
219.17398	5.1
221.19106	0.9
225.16331	3.8
227.17892	3.5
229.16061	1.4
229.19475	4.1
231.13780	3.2
231.17345	2.9
233.15266	11.0
233.18953	3.1
239.17844	1.7
241.19411	1.7
243.21019	1.7
245.15288	5.2
247.16867	5.9
249.14699	1.1
253.19391	1.3
255.08566	1.2
255.21043	1.6
257.15277	3.5
259.16879	11.9
263.16440	4.1
275.16296	7.5
277.17978	6.5
287.20035	2.0
305.08704	3.2
321.08191	1.0
329.20929	1.2
341.24631	1.1
352.78973	0.9
352.83264	0.8
359.25555	1.8
371.25577	1.0
389.31970	3.9
395.29193	3.4
407.32959	9.7
409.34521	3.9
413.30463	10.6
425.33990	7.4
431.32889	0.9
435.32541	12.2
437.33954	3.7
441.33542	6.3
452.32770	0.9
453.33572	67.0
454.33624	3.9
455.35248	4.0
471.34601	70.9
472.34851	1.7
497.35974	1.2
515.37439	1.7
565.35004	1.8
567.25305	0.9
583.35925	3.8
611.35498	3.2
629.36902	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	975.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03344	4.9
69.06999	6.9
69.68449	0.9
70.06508	100.0
70.77056	0.9
70.89747	0.8
71.01278	1.0
71.04896	0.9
71.06834	6.3
72.07664	1.2
72.08063	34.8
73.02829	7.0
73.08395	3.8
74.05984	4.5
79.05408	6.3
81.03324	3.2
81.06962	15.7
83.04885	1.0
83.06011	7.0
83.08535	2.2
84.04427	15.8
84.08060	15.6
85.02825	37.9
86.09625	30.2
87.05534	3.6
88.03886	1.9
91.03883	13.7
91.05395	5.1
93.04465	3.8
93.06960	13.8
94.56105	0.9
95.01252	13.4
95.06014	1.9
95.08527	31.9
97.02821	17.5
97.10079	1.0
99.00764	1.5
100.07606	0.8
100.14148	0.8
101.02280	1.2
101.07133	1.1
102.05464	4.8
103.03889	1.0
103.05389	1.1
105.06969	14.6
107.07864	1.5
107.08538	22.7
109.02802	3.7
109.10094	21.5
110.07109	42.7
110.09633	1.1
110.48161	0.9
111.07394	1.3
111.08037	4.4
112.08687	2.0
115.08643	1.9
117.06970	1.2
119.08537	16.9
120.08060	17.2
121.08385	1.9
121.10089	20.5
122.07105	1.9
123.11644	7.5
125.09627	1.1
127.03882	8.0
129.06749	0.8
129.10217	8.7
131.08549	5.2
133.10094	16.9
135.11668	14.5
137.13232	1.4
139.11192	1.6
141.01796	36.1
143.08539	1.4
143.11737	2.0
145.04971	9.3
145.10103	13.9
147.11664	15.7
149.09543	1.0
149.13202	13.8
151.11098	1.7
153.10193	1.4
155.08165	1.9
157.10056	1.9
159.02896	3.6
159.11674	11.7
161.13219	13.0
163.06004	8.0
163.08646	0.9
163.11157	1.6
163.14824	4.3
167.08173	1.6
169.09860	0.8
171.11378	6.4
173.09178	1.3
173.13205	8.4
175.14772	10.2
177.12643	1.1
177.16341	7.0
178.13356	0.9
182.82207	0.9
183.14885	3.6
185.13231	1.9
187.14722	6.8
189.16353	9.1
191.17921	4.4
197.13075	1.1
199.10822	1.6
199.14755	4.3
201.16325	10.7
203.17856	8.5
205.15913	3.1
207.17355	1.7
213.16364	3.5
215.14041	1.0
215.17944	4.7
217.19440	1.6
219.17403	6.1
227.17949	1.8
231.17383	1.2
241.19392	1.0
243.17271	1.0
243.21158	1.2
245.18959	3.5
255.20967	1.1
267.20920	1.3
274.13937	1.4
297.67581	1.1
313.25388	1.6
321.07919	1.3
381.31314	1.2
399.32303	1.9
403.33551	1.8
421.34531	14.4
422.34680	1.0
439.35599	27.8
450.32443	1.0
457.36667	36.3
458.36859	1.3
514.14728	1.0
521.12927	0.9
576.08362	1.0
597.37396	1.9
615.38770	6.3
619.35614	1.0
633.39899	1.0
983.36908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03347	14.2
69.06650	1.0
69.06988	18.3
70.06512	19.5
71.01263	1.5
71.04927	2.2
71.08522	0.8
72.08068	8.4
73.02834	19.9
74.06000	1.3
79.05405	11.5
80.81353	0.6
81.03347	5.2
81.06976	44.7
83.01256	1.3
83.04897	3.9
83.05984	1.2
83.08543	9.5
84.04431	3.4
84.08050	6.7
85.02827	96.3
85.06469	1.2
86.03127	0.8
86.09628	8.2
87.04413	1.0
87.05496	1.0
91.03880	41.0
91.05402	13.5
93.04435	0.8
93.06973	36.4
95.00666	1.4
95.01260	41.1
95.04892	3.1
95.08533	91.4
96.08858	1.3
97.02828	38.7
97.03459	1.2
97.06477	2.8
97.10100	4.4
99.00739	3.8
99.04374	4.0
99.08026	1.4
100.21864	0.5
101.02312	3.1
101.07072	1.0
102.75316	0.5
103.03873	5.3
103.05370	0.7
105.06980	34.5
107.08540	66.2
108.08836	0.7
109.02863	8.4
109.06460	3.5
109.10107	62.1
110.07121	12.0
111.07337	0.9
111.08034	18.1
113.02341	5.5
115.03902	2.5
115.05372	0.6
117.06953	3.6
119.08537	46.5
120.08070	2.6
120.08843	0.8
120.96400	0.6
121.06464	1.4
121.10098	51.5
123.00715	1.5
123.08029	4.2
123.11666	20.7
125.09595	6.1
127.03874	22.4
129.10185	3.4
131.03377	4.3
131.08539	13.0
133.10098	50.6
134.10466	0.7
135.08040	1.2
135.11659	45.6
136.12009	1.0
137.09593	4.1
137.13234	7.2
139.11160	6.0
141.01808	100.0
141.39610	0.7
142.02135	0.9
142.07736	0.7
142.59573	0.8
143.08543	5.2
144.09355	1.1
144.17668	0.7
145.04948	26.3
145.10106	30.5
147.10477	1.3
147.11664	38.2
148.11963	0.9
149.09625	4.3
149.13242	35.5
150.13603	0.8
151.11150	6.5
152.78297	0.6
157.10110	8.8
159.02869	11.9
159.11662	37.7
161.09581	0.9
161.13229	34.8
162.13638	0.6
163.05981	28.5
163.11148	4.5
163.14792	14.4
165.12659	3.1
165.16269	0.9
167.14348	0.6
169.10052	3.2
170.10803	1.0
171.11656	9.9
172.12480	0.6
173.13222	25.4
174.13853	0.6
175.14792	25.5
177.03914	3.0
177.12715	3.7
177.16347	16.9
179.14256	1.0
183.11646	3.1
185.13225	8.0
186.13870	0.7
187.14795	15.3
189.16354	26.5
191.14275	2.7
191.17885	8.2
193.15831	6.1
195.17403	4.9
197.13167	2.5
199.14775	8.4
201.08986	0.7
201.12672	1.1
201.16362	32.9
202.16553	0.8
203.14275	1.5
203.17934	21.3
205.15834	9.9
205.19498	1.0
207.17433	5.2
211.14763	3.0
213.16353	8.9
215.17926	14.8
217.15866	4.2
217.19440	7.6
219.17416	15.1
221.18964	3.3
223.16951	0.8
225.16345	2.8
227.14404	0.8
227.17891	9.2
229.19527	5.4
231.17377	5.6
231.21078	0.8
233.18947	6.5
237.18446	0.8
239.17931	1.2
241.19504	3.3
243.17506	1.2
243.21016	3.8
245.18927	10.1
247.20511	3.0
247.50694	0.8
249.18561	1.0
251.20036	0.8
253.19507	2.5
255.21040	4.2
257.18918	0.9
257.22684	1.4
259.20605	1.5
261.21991	0.9
263.19971	10.2
269.22647	4.7
271.20523	2.4
271.23920	0.7
273.22153	2.5
275.20129	0.8
277.21542	1.2
281.22552	2.6
285.06030	0.9
285.22134	3.3
287.23856	1.0
289.21686	0.9
291.23102	1.4
293.22589	1.0
295.24112	1.5
299.23651	2.7
303.06897	1.2
303.23138	1.3
309.25735	1.1
311.27023	1.2
313.25217	3.8
321.08157	5.5
325.11215	1.3
325.25110	0.8
327.26791	2.5
329.28287	0.8
331.26263	4.7
339.09125	1.2
345.27933	1.2
351.30209	1.0
365.19354	0.8
369.31497	0.9
381.31537	8.9
393.35098	1.1
399.32788	5.7
403.33426	3.0
409.34402	4.0
411.36221	1.5
421.34576	49.3
422.34781	1.4
427.35519	1.1
439.35635	82.2
440.36084	5.6
457.36679	86.0
458.37076	6.8
579.36853	4.5
597.37677	10.2
615.38843	16.7
616.38721	0.8
633.39972	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.515
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03353	10.3
69.06992	17.0
70.06521	16.9
71.01288	1.7
71.04906	23.9
72.08043	1.3
73.02828	16.1
74.90835	1.1
79.05414	14.7
81.03342	4.4
81.06976	45.4
83.01236	1.6
83.04903	10.7
83.08530	6.7
84.04428	5.4
84.08062	7.9
85.02829	100.0
86.09634	4.4
91.03883	24.8
91.05408	15.9
93.06974	41.4
95.01257	36.6
95.04913	4.4
95.08534	92.1
96.08846	1.2
97.02821	29.2
97.06461	2.6
97.10070	2.1
99.00774	2.4
99.04390	4.4
101.02286	1.5
103.03897	4.8
105.06976	42.8
107.08540	63.2
108.08930	1.3
109.02827	6.7
109.06461	5.2
109.10110	50.5
110.07120	5.2
111.04388	6.4
111.08034	15.3
111.11661	1.9
113.02306	4.3
115.03893	1.2
117.06974	3.9
119.08542	53.3
121.06471	2.1
121.10098	46.8
121.10931	2.1
123.00774	1.1
123.08028	6.7
123.11655	18.0
125.09565	1.9
127.03867	15.2
129.05441	7.0
129.10199	4.8
131.03369	2.4
131.08514	17.7
133.10091	56.0
135.08041	2.7
135.11664	34.2
136.07588	1.5
137.09599	4.4
137.13255	2.7
139.11139	2.5
141.01810	70.4
142.02203	1.4
143.08553	7.2
145.04951	13.9
145.10114	30.0
146.10611	1.0
147.06590	1.3
147.07829	1.6
147.11670	39.6
149.09624	2.1
149.13231	36.8
151.11108	2.5
156.09302	1.4
157.10129	13.2
158.10995	1.4
159.02806	9.0
159.11685	33.4
159.12984	1.5
161.09605	1.3
161.13214	32.7
163.05954	14.0
163.11169	2.6
163.14783	11.4
169.10048	2.2
170.10672	1.3
171.11646	9.8
173.13210	24.9
175.11147	4.2
175.14772	21.6
177.03906	1.5
177.12727	2.3
177.16328	13.8
183.11652	1.9
184.12376	1.4
185.13213	6.7
186.65535	1.1
187.14769	16.7
189.12822	1.7
189.16319	24.1
191.14270	4.2
191.17941	7.4
193.15866	5.2
195.11568	1.3
195.17465	1.5
197.13240	1.9
199.14786	8.1
201.16328	24.1
203.14403	2.2
203.17920	20.9
205.15828	6.9
205.19429	1.3
207.17458	5.0
209.13283	1.4
211.14732	2.3
213.16360	10.5
215.17859	12.0
217.15897	6.6
217.19363	9.0
219.17375	11.9
221.15291	1.3
225.16402	2.4
227.17926	6.8
229.15952	1.3
229.19524	2.1
231.17383	7.5
233.18996	4.8
235.16824	1.6
239.17986	1.4
241.19319	2.4
243.21033	1.9
245.19031	6.8
247.16890	1.7
249.18544	1.9
261.18384	1.3
263.19983	5.4
285.22226	1.3
289.21542	1.5
311.27393	1.6
313.25122	1.2
321.08240	4.1
339.09143	2.0
381.31470	5.3
397.30463	1.9
399.32672	1.8
407.32974	2.3
409.34839	2.4
415.32498	1.4
419.32993	4.9
421.34543	27.5
425.34238	8.9
437.34033	25.1
439.35629	43.5
440.36035	1.4
455.35120	26.6
457.36688	51.4
458.36975	1.9
473.36136	29.2
597.37933	2.7
613.36780	2.0
615.38513	10.3
631.37994	1.8
897.91821	1.2
999.20062	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03354	12.9
69.06989	17.4
70.06139	1.4
70.06509	27.9
71.01263	1.8
71.04911	4.3
72.08068	10.7
73.02829	19.2
74.05981	2.3
78.03019	0.8
79.05404	14.7
79.83662	0.9
81.03326	6.3
81.06976	38.1
83.01222	1.3
83.04917	3.5
83.06020	3.9
83.08535	7.4
83.77178	0.8
84.04427	5.0
84.08075	12.1
84.75990	0.8
85.02829	96.8
85.06451	1.4
86.09633	10.1
91.03341	2.0
91.03882	40.6
91.04454	1.7
91.05408	12.3
93.06975	43.5
93.42908	0.9
95.01260	39.2
95.04916	3.5
95.08534	96.8
96.25163	0.9
97.02826	39.4
97.06487	1.0
97.10090	5.2
98.05966	1.1
99.00753	5.1
99.04391	5.1
99.07987	2.1
99.23658	1.0
101.02347	2.2
102.05447	1.5
103.03892	7.8
105.06979	36.3
107.08541	62.4
109.02838	9.2
109.06452	4.7
109.10108	55.3
110.07130	14.6
111.07440	1.0
111.08039	14.9
111.11696	1.8
113.02316	6.1
114.03811	1.0
115.03880	2.2
117.06963	2.2
119.08540	50.0
120.08047	5.1
120.08830	0.9
121.06478	1.6
121.10098	48.4
123.00683	1.1
123.08026	1.8
123.11656	19.5
125.09579	5.6
127.03886	22.7
127.08607	1.5
129.10188	5.0
131.03365	4.2
131.08549	15.2
133.10098	45.0
135.11665	42.1
137.09636	4.0
137.13199	7.4
139.11156	6.3
141.01810	100.0
143.08517	4.7
145.04944	24.1
145.10107	28.5
147.08038	1.2
147.11671	35.8
149.09560	1.4
149.13243	36.9
151.11153	5.4
153.12738	1.5
157.10110	11.0
158.10902	1.0
159.02832	10.9
159.11673	30.0
161.09525	1.7
161.13231	29.8
163.05995	27.2
163.11165	4.9
163.14804	15.1
165.12715	4.0
169.10094	1.6
170.10881	1.0
171.11668	7.9
173.13234	23.1
175.14799	22.0
177.03900	6.2
177.12694	5.1
177.16341	16.2
178.16708	1.0
183.11647	4.3
183.83183	1.0
185.09161	1.2
185.13225	6.6
187.14812	15.3
188.15268	1.2
189.12708	1.4
189.16364	26.3
191.14307	2.0
191.17897	11.1
193.15852	5.5
195.17418	4.4
197.13170	4.2
199.14693	8.0
201.16377	23.9
203.14183	1.3
203.17944	23.2
205.15865	10.3
205.19415	1.4
207.17447	5.2
211.14752	3.7
213.16371	9.1
215.17935	12.9
217.15886	3.6
217.19449	5.6
219.17400	16.8
221.18909	1.4
223.14864	1.4
225.16281	2.3
227.17993	8.1
229.19478	4.8
231.17386	6.9
233.18903	8.0
237.18497	1.5
241.19467	2.3
243.17120	1.0
243.21143	5.2
245.18962	10.1
251.17688	1.3
253.19429	3.7
255.06433	3.9
255.21092	4.3
257.19086	2.0
257.22516	2.0
259.20453	2.1
263.19995	7.5
267.21085	1.5
269.22626	2.2
271.20465	2.0
271.23660	0.9
273.22055	1.8
275.23584	1.1
281.22519	1.5
283.20474	1.5
285.22156	1.9
288.65302	1.1
289.21530	1.3
291.23138	1.2
299.23660	1.5
303.23199	1.6
313.25180	1.8
317.24823	1.9
321.08224	3.6
325.11313	1.5
331.26376	1.7
339.09201	1.7
363.30377	1.6
365.19318	1.1
381.31436	9.9
393.35016	1.4
399.32532	2.0
403.33435	5.2
409.34595	3.9
411.36105	1.2
421.34576	44.3
427.35690	1.6
439.35626	86.3
440.35861	6.2
457.36661	98.4
458.36893	4.4
579.36859	2.3
597.37567	10.5
615.38739	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	975.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03346	10.7
69.06986	14.9
70.06133	1.3
70.06506	25.6
71.01261	3.1
71.04892	1.0
71.06808	0.8
72.08059	5.6
72.08404	0.7
73.02831	17.8
74.05970	1.3
79.05405	12.7
81.03330	6.7
81.06973	42.8
83.01247	1.1
83.04900	1.8
83.05992	1.3
83.08535	7.2
84.04411	8.0
84.08064	17.4
85.02826	88.3
85.06455	1.1
86.09621	10.1
87.04381	0.9
88.03914	0.8
91.03874	34.6
91.05398	12.8
93.06971	41.7
95.01249	39.6
95.04866	1.6
95.08528	91.3
97.02820	36.2
97.06454	1.5
97.10090	4.9
99.00741	4.4
99.04365	4.8
99.08041	1.3
101.02311	3.6
102.05486	3.3
103.03859	3.6
103.05380	1.1
105.06978	29.3
107.08532	62.2
108.08823	1.0
109.02802	8.0
109.06467	3.6
109.10101	60.3
110.07114	12.8
111.07360	1.1
111.08030	16.8
113.02314	5.2
115.03852	3.6
117.06966	4.4
119.08531	44.6
120.08051	3.3
121.10095	46.7
123.08025	3.1
123.11654	18.0
124.11967	0.9
125.09583	4.2
127.03871	21.8
127.08620	0.8
129.10193	10.7
131.03366	1.7
131.08551	13.3
131.23306	0.8
133.10094	46.2
135.08022	1.2
135.11655	38.8
136.07539	1.5
137.09595	4.8
137.13191	7.2
139.11151	6.6
141.01799	91.8
142.02100	0.9
143.08522	4.4
145.04938	27.7
145.10097	31.7
145.11244	1.5
147.11664	37.3
149.09596	3.1
149.13229	31.1
151.11166	5.5
153.12782	1.1
157.10114	8.1
158.10927	1.6
159.02858	11.4
159.11655	30.3
161.09537	1.1
161.13229	32.2
163.05974	26.9
163.11121	4.1
163.14792	13.2
165.12709	3.4
169.10013	1.2
171.11668	7.5
173.09180	0.9
173.13206	22.5
175.14758	24.4
177.03957	3.1
177.12700	4.6
177.16351	15.2
179.14307	1.1
181.04880	1.3
181.29588	0.8
183.11601	3.8
184.12402	1.0
185.13121	9.3
187.14760	16.1
189.16335	23.5
191.14259	3.6
191.17847	10.5
193.15807	5.5
195.11450	1.2
195.17412	4.5
197.13170	4.3
199.14838	8.0
201.16342	27.8
203.14256	1.8
203.17917	22.2
205.15833	10.0
205.19559	1.4
207.17432	6.4
211.14781	4.0
213.16399	8.6
215.14178	1.2
215.17914	13.3
217.13841	1.1
217.15817	5.5
217.19362	5.6
219.17409	15.0
221.18967	1.1
225.16434	3.4
227.17943	8.7
229.15671	1.2
229.19417	3.9
231.17354	6.1
231.20990	2.8
233.18901	7.5
239.17947	1.9
241.19484	4.2
243.20992	4.4
245.18967	9.1
246.29506	0.9
249.18437	1.5
253.19460	1.1
255.21083	3.3
257.18997	1.0
257.22443	0.9
259.20572	1.3
263.20020	10.4
269.22586	3.1
271.20535	1.6
273.22098	4.9
277.21582	3.6
281.22717	3.2
283.20670	1.9
285.05923	1.3
285.22147	3.5
289.21472	1.2
291.23071	3.5
293.22620	1.2
295.24133	1.8
299.23770	1.2
303.23013	3.2
307.23917	1.1
311.27219	1.4
313.25143	1.3
321.08041	4.3
325.11118	1.5
327.26782	1.4
330.01059	0.9
331.26080	3.4
339.09052	0.9
363.30499	1.6
381.31424	10.3
399.32321	6.5
403.33600	3.7
409.34494	3.8
411.36249	1.4
421.34579	43.3
422.34937	1.7
437.34000	1.0
439.35605	88.1
440.35785	4.0
457.36652	100.0
458.37030	5.1
579.36536	1.6
597.37671	10.0
615.38849	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	975.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99722	1.2
69.03347	10.4
69.06991	18.7
70.06513	34.4
71.01264	5.7
71.04893	1.4
72.08069	2.6
73.02823	17.8
74.05985	2.2
75.04405	1.7
79.05418	15.8
81.03329	6.0
81.06976	44.1
83.01273	1.9
83.04892	5.1
83.06014	1.9
83.08550	6.7
84.04424	8.0
84.08066	23.7
85.02830	79.5
86.09621	7.7
91.03886	25.5
91.05407	16.4
93.04495	1.5
93.06975	36.9
95.01257	45.5
95.04892	4.9
95.08533	85.5
97.02825	41.7
97.06465	1.3
97.10115	5.0
99.00774	2.6
99.04369	2.9
99.08020	1.4
101.02294	1.9
101.07133	1.7
103.03860	2.7
105.06982	39.6
107.08545	59.4
108.08926	1.3
109.02827	4.9
109.06461	2.9
109.10112	55.9
110.07101	10.6
111.08022	14.4
111.11673	1.7
113.02316	5.9
115.03858	2.1
117.06976	2.7
119.08540	47.0
120.08064	6.3
121.10101	49.1
123.08020	4.9
123.11668	21.9
125.09614	4.9
127.03881	16.9
129.06934	1.3
129.10217	13.2
131.03395	2.6
131.08545	14.0
133.10100	51.4
135.11662	35.1
136.07594	6.5
137.09590	4.3
137.13226	5.9
139.11203	2.7
141.01811	100.0
141.09085	1.5
142.07777	1.4
143.08574	4.7
144.09363	1.2
145.04933	14.5
145.10110	36.2
147.10504	1.5
147.11673	37.7
147.20609	1.2
149.09573	4.6
149.13237	33.1
151.11172	6.5
157.06108	1.5
157.10065	9.5
159.02838	9.4
159.11667	30.6
161.09564	2.8
161.13222	32.8
163.06009	16.3
163.11128	2.0
163.14781	20.4
165.12761	1.8
169.09953	1.9
171.11655	7.2
173.09242	5.1
173.13223	22.5
175.14778	22.0
177.03951	2.7
177.12729	4.6
177.16386	20.4
183.11621	1.4
185.13239	6.5
187.14783	17.2
189.16344	28.6
191.17950	9.8
193.15855	2.9
197.13174	2.5
199.07462	1.3
199.14772	8.4
201.12267	1.3
201.16354	27.4
203.17914	21.1
205.15697	9.0
205.19452	1.6
207.17415	5.9
211.14798	1.4
213.16379	6.7
215.17915	15.0
217.15852	2.0
217.19527	6.0
219.17397	14.3
225.16351	1.9
227.17941	7.4
229.15800	1.8
229.19534	4.4
231.17375	5.6
233.19034	6.7
239.17856	1.6
241.19493	2.7
243.21092	2.1
245.19011	7.2
253.19592	1.9
255.06516	16.7
255.20996	5.2
257.22711	1.5
259.20599	2.3
263.20038	5.0
269.22540	2.2
271.06000	2.6
271.20593	1.8
285.22388	1.7
295.24075	1.5
299.23764	1.4
313.25085	4.2
321.08102	1.5
331.26172	2.7
354.30917	1.3
381.31415	9.6
393.35071	2.0
399.32523	5.0
403.33459	6.4
409.34818	6.4
411.35889	6.5
421.28900	1.6
421.34573	50.9
422.35181	1.6
427.35715	2.0
439.35641	79.0
440.35901	5.4
457.36725	92.8
458.36920	4.9
579.37012	1.5
583.39294	2.0
597.37115	7.7
615.38647	8.7
706.92200	1.5
975.33307	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	975.6393
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06516	0.4
70.85265	0.3
71.07294	5.7
71.08535	1.8
81.06979	0.5
83.08535	0.6
85.10121	0.6
86.09628	53.1
86.94791	0.3
87.09987	0.4
95.08535	0.7
98.98412	2.6
99.77854	0.3
104.10680	77.6
105.11001	0.4
109.10120	0.4
124.99964	31.2
129.67540	0.3
143.01006	0.7
163.01500	0.5
163.91138	0.3
178.91238	0.3
184.07306	100.0
185.07576	1.3
258.10925	0.7
303.83667	0.3
313.27371	3.4
419.25467	0.5
478.32800	6.3
496.33896	63.1
497.34311	2.4
597.07971	0.3
905.39178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99707	0.3
70.06527	1.2
74.28107	0.1
76.01351	0.1
81.03321	0.2
84.04433	0.3
84.08053	0.7
86.09595	0.1
91.05407	1.5
107.41243	0.1
110.07123	0.2
119.04890	0.3
121.02851	0.3
126.13740	0.2
127.03841	0.2
129.06978	0.2
129.10146	0.2
131.04863	0.2
131.67397	0.2
133.02780	0.2
137.02335	4.8
143.08504	0.2
145.02794	1.3
149.02319	1.0
153.01797	1.6
153.06975	0.9
157.06500	0.9
159.04401	0.2
169.06458	0.3
171.08023	0.9
181.06418	1.4
185.05974	0.2
197.05963	0.6
199.05663	0.3
199.07524	8.5
215.07001	1.6
225.05386	0.2
227.07013	3.7
237.05487	1.4
243.06529	1.1
253.04892	0.3
255.06485	100.0
256.06821	2.0
271.05969	30.0
272.06342	0.8
384.61322	0.2
459.12811	5.8
519.11224	3.2
662.62030	0.2
843.51984	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	978.5649
Annotation	Unknow
Peak:m/z	Relative Intensity
68.33160	1.5
69.03337	7.9
69.06991	13.4
70.06150	1.4
70.06514	37.5
71.01263	2.0
71.04915	51.6
71.08589	1.2
72.08080	1.6
73.02818	7.7
74.05997	2.6
75.04381	5.9
79.05405	9.5
79.87627	1.2
81.03334	1.9
81.06517	1.8
81.06979	46.1
83.04911	21.9
83.05994	2.0
83.08527	7.6
84.04429	16.5
84.08075	27.8
85.02832	100.0
85.06483	2.5
86.09648	9.2
86.76798	1.3
87.04392	1.9
91.05412	15.1
92.10939	1.4
93.04463	1.5
93.06979	28.0
94.28334	1.2
95.01279	10.0
95.04899	6.4
95.08539	73.3
96.77952	1.3
97.02830	16.0
97.10081	2.7
99.04393	2.3
99.08035	1.7
101.07034	1.9
101.79478	1.2
102.05457	2.2
103.03888	2.2
103.05430	1.2
105.06993	21.8
107.08545	42.8
109.02831	4.9
109.06454	1.9
109.10107	35.1
110.07137	13.0
111.04414	13.8
111.07424	1.4
111.11626	1.9
113.02393	1.5
115.03905	2.3
115.08643	1.3
118.20123	1.3
119.04906	1.5
119.08546	31.6
120.08031	1.6
121.10106	35.0
123.11653	17.9
127.03891	8.7
128.06180	1.3
129.05457	22.3
129.10190	14.6
131.08577	11.7
133.10094	20.4
135.08041	1.4
135.11665	25.8
136.07584	11.9
137.13232	20.1
139.03969	2.0
141.01808	24.2
143.08524	6.0
145.04924	5.9
145.10098	19.7
147.06566	9.8
147.07542	1.6
147.11662	17.6
149.09572	1.9
149.13257	19.2
153.06551	1.3
157.10095	7.8
159.02902	6.0
159.11658	17.8
161.13246	13.8
163.05936	2.0
163.14844	9.0
171.11612	8.0
173.13235	12.2
175.14771	12.7
177.16338	8.7
179.17960	1.7
183.11633	2.3
185.13194	6.7
187.14726	11.7
189.16382	14.4
191.17953	14.6
197.13211	1.6
199.14742	6.1
201.16412	9.1
203.18005	9.3
205.19476	5.6
211.14598	1.3
213.16281	9.1
215.17973	9.6
217.16005	1.6
217.19514	6.2
218.21082	1.6
219.17517	2.9
225.16342	2.1
227.17967	2.8
231.17374	1.9
233.19034	7.7
241.19542	1.5
243.17456	1.5
244.18315	1.6
245.19023	5.6
255.06366	1.9
255.21138	1.7
273.09579	2.5
287.07587	2.3
305.08517	4.4
309.11844	2.8
321.08255	1.3
323.09689	2.8
393.34998	2.5
405.35028	9.8
411.36163	2.8
423.36151	58.0
424.36343	6.2
441.37363	18.1
459.37939	2.7
679.09711	1.6
753.62769	1.5
931.53650	1.5
979.36847	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	980.6198
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06508	0.7
71.07296	3.4
71.08552	0.2
72.08054	0.4
73.40369	0.1
84.08093	0.5
85.10120	0.2
86.09628	35.8
87.09956	0.5
98.98395	3.2
104.10679	3.5
120.08092	0.2
124.99965	26.0
129.10239	0.1
131.01212	0.1
143.00998	0.8
167.75401	0.1
184.07312	100.0
185.07640	1.2
245.39780	0.1
313.27335	0.4
470.49036	0.1
478.32892	1.6
496.33920	18.8
497.34109	1.2
540.67615	0.1
851.38666	0.2
952.95380	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	983.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03349	14.5
69.06987	12.2
70.02845	3.6
70.06510	81.1
71.01276	15.2
71.04910	34.9
71.06832	3.8
72.08071	37.7
73.02824	15.0
73.08398	1.1
74.05984	7.1
75.04398	2.2
79.05419	9.4
81.06973	32.9
82.06487	1.0
83.04899	21.0
83.06015	3.8
83.08530	5.9
84.04421	17.1
84.08066	77.3
85.02827	74.3
85.08390	4.7
86.05999	1.2
86.09627	34.8
87.04395	1.4
87.05507	6.0
87.09949	1.2
88.03899	4.5
89.02307	13.7
91.05402	23.5
93.04476	3.6
93.06973	26.7
95.01257	21.0
95.04892	4.1
95.08533	69.9
96.08078	1.2
97.02231	1.2
97.02822	20.9
97.10060	2.3
98.02367	1.2
98.09628	1.2
99.00749	4.1
99.04373	2.0
99.05518	1.4
101.02334	1.1
101.07076	4.4
102.05479	6.5
103.03848	2.3
103.05402	5.7
105.06972	27.1
107.04895	1.4
107.08535	43.9
109.02828	1.5
109.06441	3.8
109.10108	48.9
110.07112	21.9
110.09641	1.4
110.10407	0.9
111.04391	15.6
111.08005	4.6
111.11654	0.9
112.07584	1.2
113.02309	3.7
113.05957	1.5
113.07082	1.4
115.03852	7.7
115.05027	1.8
115.08640	3.5
117.06976	1.4
119.04910	4.3
119.08537	37.6
120.08053	48.5
120.08918	1.6
121.08389	1.6
121.10098	30.5
123.11669	20.9
125.07046	1.2
127.03902	2.3
127.04972	3.9
127.08640	1.4
129.05444	11.0
129.06334	1.3
129.06770	0.8
129.10197	42.6
130.04974	1.1
130.10526	1.6
131.03389	1.6
131.08533	10.5
132.08034	1.1
133.04921	0.9
133.06041	2.0
133.10094	36.8
135.11652	24.2
136.07558	24.1
137.07951	1.2
137.09579	1.2
137.13223	5.8
139.03918	1.8
139.08620	2.0
139.11163	1.8
141.01807	52.2
141.06587	1.4
141.10179	5.6
143.08488	4.8
143.11732	1.9
145.10104	15.1
147.06514	4.4
147.11658	27.8
149.13243	22.3
152.14330	1.6
153.05440	1.1
155.08218	1.4
155.11740	3.8
157.04948	1.1
157.09976	5.3
159.02861	4.5
159.11671	21.4
161.13217	20.7
162.13699	1.0
163.14784	14.1
167.08141	1.4
167.11844	1.4
169.09753	4.1
169.13379	2.3
171.11565	6.5
173.05676	1.1
173.09309	1.0
173.13222	17.7
175.14781	18.5
176.10640	1.0
177.16341	11.8
177.47685	0.9
183.11385	1.6
184.07207	1.3
185.09138	5.3
185.13112	6.9
187.10701	1.0
187.14760	11.5
189.16383	17.0
191.17957	7.4
195.11266	1.5
195.17451	1.7
197.12903	1.8
199.14803	5.3
201.16362	17.3
202.16592	1.2
203.17900	24.4
205.15823	1.4
205.19450	1.8
207.17397	5.7
207.81535	1.0
213.08669	2.1
213.16341	5.1
215.17911	12.0
217.19504	15.1
219.17313	5.1
221.12788	3.5
224.17509	1.2
225.07529	1.6
225.16380	1.2
227.17865	8.7
229.19469	16.0
231.21080	1.5
241.19363	3.7
243.08443	1.4
243.21027	7.8
249.12244	2.2
252.13429	1.7
255.20897	4.5
255.23615	1.0
257.22546	5.9
267.21207	1.3
269.22595	7.4
271.24265	1.2
279.10648	1.8
281.22540	1.1
283.24072	2.2
295.24316	1.1
297.25662	2.0
305.08603	4.2
317.21054	7.8
365.31805	5.9
372.18835	1.0
393.35376	2.7
405.35040	19.7
406.35403	1.1
423.36136	100.0
424.36404	6.9
453.33374	1.0
481.36539	10.5
493.36655	12.0
511.37628	14.2
581.38287	13.4
599.39148	3.6
610.98749	1.1
669.40277	2.3
973.44769	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03362	4.1
69.06998	4.7
69.20645	3.0
70.06522	38.7
71.01260	2.8
71.04920	33.6
72.08044	5.9
73.02844	5.2
75.04367	2.8
78.75320	3.0
79.05415	7.9
81.03339	3.6
81.06984	29.8
83.04892	22.2
84.04450	5.3
84.08070	22.4
85.02829	100.0
86.09639	14.9
91.03889	7.6
91.05408	17.3
93.06985	29.7
95.01276	24.7
95.08530	53.7
97.02826	7.2
105.06993	34.9
107.08556	48.9
109.10117	35.2
110.07118	6.0
111.04385	7.0
111.08076	4.9
117.06859	2.9
119.08559	39.5
121.10085	36.7
123.11675	13.4
127.03876	4.9
129.05447	11.7
129.10214	14.2
131.08545	16.5
133.10091	36.8
135.08049	5.4
135.11676	18.5
136.07584	14.1
141.01811	41.7
145.10089	26.5
147.11667	19.2
149.13287	24.9
151.11188	3.3
157.10081	14.0
159.09120	4.1
159.11673	31.1
161.13211	25.9
163.14763	7.7
171.11687	11.8
173.13235	19.6
175.14755	27.1
177.16374	14.4
183.11604	4.8
185.13116	5.6
187.14761	14.4
189.16360	17.8
197.13263	3.8
199.14841	6.4
201.16405	15.9
203.14330	4.9
203.18063	12.3
205.15941	4.2
215.18063	4.6
219.17438	5.2
245.15413	4.1
411.28787	4.6
423.32498	14.0
439.31934	5.6
441.33575	17.0
451.31854	20.8
457.33029	4.1
469.32993	68.8
487.34085	31.6
490.66064	3.3
645.36536	4.9
647.52625	4.8
948.67529	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	989.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03344	12.4
69.06992	6.5
70.06509	100.0
72.08064	19.9
73.02820	13.3
74.05971	3.1
79.05406	16.0
81.03326	12.3
81.06977	43.9
83.04834	3.0
83.08537	4.1
84.04420	15.4
84.08044	36.3
85.02834	80.3
86.09644	22.7
87.05482	2.9
88.15507	2.7
91.03876	25.2
91.05418	7.5
93.06976	28.5
95.01259	27.1
95.08530	88.6
96.83130	3.2
97.02809	32.5
97.89345	3.2
101.07082	3.8
102.05460	5.6
105.06978	26.7
107.08536	61.3
109.02832	20.8
109.06483	4.5
109.10126	44.1
110.07104	19.2
111.08049	7.3
113.02325	4.1
115.08620	5.4
119.08524	39.8
120.08081	20.4
121.10106	34.3
123.11665	12.4
126.05444	3.1
127.03890	23.4
129.06743	2.8
129.10202	22.7
131.08531	15.9
133.10095	34.4
135.11639	25.7
136.07565	14.0
137.13264	4.4
141.01801	66.7
145.04955	23.0
145.10124	37.3
147.11674	34.1
149.13223	24.4
152.98062	3.2
157.10020	5.3
159.02856	4.1
159.11652	28.8
161.13182	27.2
163.05977	15.1
163.14767	11.7
171.11613	5.3
173.13202	21.5
175.14763	15.0
177.16396	15.1
185.13269	7.6
187.14792	20.2
189.16364	14.7
197.13264	4.7
199.10765	3.9
199.14824	4.9
201.16331	18.4
203.14314	3.7
203.17888	23.1
205.15918	11.7
211.14705	5.7
213.16339	15.0
215.17924	5.8
217.15697	3.7
217.19458	3.8
219.13858	3.7
219.17339	3.4
231.13727	3.3
231.17427	3.4
233.15247	5.3
243.21089	3.7
247.16808	4.1
259.16827	4.2
277.17694	4.5
389.31815	3.8
407.32846	7.0
409.34814	4.2
413.30661	5.2
425.33597	9.2
429.64124	3.0
435.32495	12.0
439.26563	3.7
441.33356	6.4
453.33621	69.5
454.33783	4.4
471.34595	55.4
482.67715	3.4
629.36652	5.2
671.10889	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	991.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03349	2.1
69.06986	0.1
70.06513	1.4
71.04905	0.3
72.08064	0.1
73.02826	0.4
74.05991	0.1
79.05396	0.3
81.03336	2.3
81.06961	0.5
83.04907	0.5
83.06033	0.1
84.04439	0.6
84.08060	0.7
85.02829	4.7
86.09673	0.1
87.04416	0.1
91.03856	0.1
91.05400	0.6
92.10880	0.1
93.06423	0.1
93.06968	1.1
95.04901	0.8
95.06003	0.0
95.08540	0.3
96.12848	0.1
97.02823	5.4
97.06493	0.1
99.04386	3.9
101.07030	0.1
102.05475	0.1
103.03877	4.2
105.06979	1.2
106.07264	0.0
107.04890	0.1
107.08557	0.4
109.02833	3.0
109.06464	1.1
109.10102	0.1
110.07108	0.3
111.04383	0.6
111.08022	0.1
115.03856	0.2
115.05431	0.1
115.08637	0.1
117.06996	0.2
119.04893	0.1
119.08534	0.9
120.08044	0.1
121.02840	0.1
121.06465	0.6
121.10078	0.1
123.04390	0.2
123.08073	0.4
127.03878	100.0
128.04210	1.3
129.06924	0.2
129.10182	0.4
129.11032	0.1
131.08539	0.5
133.06451	0.1
133.10094	0.6
135.08029	0.5
136.07562	0.3
137.05949	0.2
137.09561	0.1
141.05420	0.1
142.07762	0.3
143.08577	0.5
144.09384	0.1
145.04941	2.2
145.06168	0.1
145.10120	1.0
147.08028	0.3
147.11699	0.3
149.05962	0.1
149.09624	0.3
151.07567	0.1
155.08548	0.2
157.10106	0.6
158.07298	0.1
158.10841	0.1
159.08012	0.5
159.11635	0.5
161.09575	1.4
163.06026	0.8
163.07349	0.1
171.07967	0.3
171.11600	0.2
172.08777	0.1
173.09579	0.3
173.13208	0.4
175.11153	0.5
177.05479	0.1
177.09029	0.1
183.11668	0.4
184.08730	0.1
185.09529	0.1
185.13286	0.1
187.05988	0.5
187.07507	0.1
187.11195	0.3
189.09038	0.5
189.12679	0.1
193.10094	0.1
196.08784	0.1
199.11115	0.3
201.12721	0.2
203.10663	0.3
205.12227	0.2
207.13753	0.1
211.11159	0.5
217.12248	0.1
219.13774	0.2
229.12114	0.4
247.10719	0.1
247.13248	2.8
253.07014	0.1
271.05499	0.8
271.08542	0.7
285.07483	0.1
289.09171	0.6
307.10175	0.4
343.15552	0.2
361.16318	0.3
379.17450	0.4
406.01822	0.1
415.12222	0.1
433.13351	5.0
434.13480	0.1
526.22272	0.1
617.63672	0.1
886.94177	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	991.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03362	5.3
69.06984	10.1
70.06510	100.0
71.04903	4.1
71.06834	3.4
72.08070	17.8
73.02830	12.5
74.05988	3.6
79.05404	13.7
81.03336	5.3
81.04470	2.7
81.06976	34.3
83.06020	6.4
84.04424	36.1
84.08069	76.0
85.02830	63.6
85.08408	3.2
86.09618	33.1
88.03892	3.5
91.03893	21.3
91.05392	16.8
92.10983	7.1
93.06978	37.0
93.46472	2.7
95.01270	30.6
95.04921	3.5
95.06024	3.0
95.08537	77.2
97.02837	31.2
97.10094	3.0
99.04381	3.6
99.05595	2.6
102.05482	11.1
103.33466	3.0
105.07006	30.0
106.87280	2.7
107.08547	44.8
109.02835	19.3
109.10114	40.1
110.07129	34.5
111.08048	11.8
113.36723	2.5
119.08548	41.9
120.08063	17.4
121.10086	37.6
123.08048	3.5
123.11629	14.8
127.03911	20.6
127.08621	2.7
129.10202	38.0
131.08557	13.2
133.10095	45.2
133.25325	2.6
135.08080	3.2
135.11673	16.6
136.07576	14.5
137.13185	2.8
141.01785	61.0
143.08516	3.6
145.04915	18.9
145.10112	27.2
147.11703	32.4
149.13269	22.5
157.10094	6.3
159.02859	6.5
159.11661	30.5
161.09564	4.0
161.13234	31.9
163.06017	17.2
163.14824	13.0
169.09868	4.4
171.11586	5.5
173.09367	2.6
173.13239	25.7
175.11208	4.9
175.14789	20.5
177.12732	4.5
177.16357	16.2
183.11618	3.7
185.09149	2.8
185.13226	6.1
187.14731	13.7
189.12720	4.2
189.16380	27.6
189.98915	2.6
191.14403	2.7
191.17856	3.5
195.11436	2.7
197.13026	4.5
199.10872	2.9
199.14789	5.5
201.16365	14.9
203.17992	10.6
205.15804	6.1
207.17468	4.3
211.14836	3.5
213.16321	4.3
215.17920	10.3
217.15871	5.0
219.17471	4.3
221.15526	3.1
225.16008	3.4
231.17424	11.1
312.34494	3.3
379.29895	3.9
397.31064	5.2
404.61038	2.6
419.33020	15.0
425.33829	19.8
437.34082	47.3
455.35165	40.2
456.35770	3.0
473.36234	49.1
474.22165	2.7
671.85706	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	991.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03345	11.9
69.06990	13.5
70.06509	20.8
71.01273	1.9
71.04900	3.7
72.08070	1.9
73.02839	16.4
75.04425	0.8
79.05412	18.0
81.03349	7.1
81.06978	48.3
82.51538	1.0
83.01276	0.9
83.04889	3.6
83.08555	5.2
84.04422	5.4
84.08077	12.4
85.02829	91.4
85.06477	1.5
86.09637	4.4
91.03886	36.1
91.05404	20.2
92.10905	1.1
93.04398	0.9
93.06379	1.0
93.06973	50.9
95.01260	33.0
95.04897	8.2
95.08537	100.0
97.02222	1.9
97.02828	40.5
97.06448	3.5
97.10081	3.7
97.65514	0.8
99.00748	3.7
99.04377	4.9
99.08032	1.6
101.02326	1.4
101.43608	0.8
102.05479	1.6
103.03883	4.7
105.06976	53.0
107.08539	64.6
108.08900	1.3
109.02853	4.8
109.06473	9.4
109.10108	57.5
110.07138	7.9
111.08036	16.6
111.11662	1.2
111.23986	0.8
113.02314	3.9
115.03896	1.1
117.06965	5.6
119.08540	61.9
120.08038	1.9
120.08855	1.1
121.06458	5.7
121.10099	49.1
123.00800	1.4
123.08033	9.4
123.11671	17.3
125.09595	1.9
127.03889	26.7
127.07493	1.3
128.06213	1.2
129.06969	0.9
129.10193	7.6
131.03345	1.7
131.08543	21.1
131.69299	0.9
133.10100	64.4
135.08072	9.6
135.11656	34.6
136.07594	5.6
137.09602	6.4
137.13243	4.2
139.11143	1.8
141.01808	83.5
141.06987	1.3
141.09134	1.1
142.07753	1.3
143.08572	8.5
145.04944	27.5
145.10106	38.2
146.10390	0.9
147.07961	3.9
147.11679	44.4
149.09613	6.4
149.13235	35.1
151.11177	3.9
153.09134	1.0
155.08571	1.1
156.09364	1.8
157.10115	14.1
159.02835	13.7
159.08034	1.3
159.09323	0.9
159.11661	41.0
161.09607	7.2
161.13232	39.0
163.05992	28.8
163.11183	5.2
163.14796	16.4
165.09100	1.7
165.12733	1.6
167.10655	1.3
169.10069	7.4
170.10884	1.1
171.11641	15.0
172.12399	2.2
173.09621	1.8
173.13235	29.1
175.11145	6.8
175.14775	26.1
177.04034	3.3
177.12724	4.6
177.16353	19.4
182.45532	1.1
183.11656	5.4
183.14798	0.9
184.12257	1.1
185.13194	10.4
186.13936	1.4
187.14790	19.7
189.12772	3.9
189.16348	33.3
191.14287	4.3
191.17966	5.7
193.12245	1.3
193.15892	2.2
195.11566	1.3
195.17468	1.7
197.13263	5.1
199.14766	11.3
201.16370	23.9
203.14290	6.0
203.17911	20.2
205.15855	8.4
205.19507	1.2
207.17491	7.2
209.13318	2.1
211.14890	3.6
213.10504	0.9
213.16336	12.4
215.14261	2.2
215.17896	10.6
217.15878	8.5
217.19466	6.6
219.17468	6.7
221.15399	3.8
221.19011	4.1
225.16437	2.2
227.17931	4.7
229.15849	3.5
229.19350	2.9
231.17412	13.2
233.15227	1.0
233.18903	2.1
235.16885	5.9
237.16222	1.4
239.16147	1.5
239.18219	1.7
241.19472	2.1
243.17482	3.1
243.21034	1.5
245.18858	1.4
247.16972	1.3
247.20450	1.4
249.18434	7.6
253.19412	2.1
255.06406	1.0
255.21080	1.4
257.18997	1.2
259.16913	1.4
259.20523	1.2
261.18414	4.1
269.22760	1.1
271.20709	1.5
279.19620	3.9
281.19205	1.0
281.22424	1.6
289.21561	3.4
299.23462	1.1
301.21625	1.0
305.20840	1.2
321.08124	5.5
325.11420	1.8
339.09155	2.1
347.25549	1.2
361.28409	1.8
365.19351	1.5
379.29883	7.2
397.30817	13.3
401.32071	1.3
407.33228	9.4
409.34561	1.5
415.31900	1.7
419.32980	14.8
425.28540	1.6
425.34067	33.5
426.34354	1.6
437.34076	72.0
438.34387	2.1
443.35098	5.4
455.35123	82.1
456.35269	6.4
473.36188	81.2
474.36798	2.1
533.31012	1.2
577.35712	1.1
595.36121	6.3
613.37085	8.7
631.38336	14.3
649.39606	1.1
659.95984	1.2
771.85254	1.0
811.81390	1.2
884.24927	1.0
911.75073	1.2
923.96106	1.2
992.50793	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	0.4
69.06995	0.5
70.06511	100.0
71.04918	0.4
71.06837	0.9
72.08072	6.6
74.06001	2.7
79.05412	0.4
80.04922	0.5
81.06975	0.6
82.06496	0.8
83.06031	1.0
84.04431	9.4
84.08068	14.9
85.02834	2.2
85.03931	0.8
85.08368	0.7
86.06012	0.5
86.09630	4.5
87.05560	0.4
91.05406	9.4
93.04482	0.5
93.06999	0.7
95.04898	0.5
95.06030	1.9
95.08555	0.4
96.04427	1.9
96.08101	0.4
97.02823	1.6
97.07570	0.7
98.05977	1.6
99.09170	0.9
101.07077	0.8
102.05500	2.1
103.05427	0.4
104.05280	0.5
105.06969	0.6
106.06528	0.4
107.04899	4.5
108.59075	0.4
109.07545	0.6
109.10160	0.5
110.07107	6.2
112.08681	0.4
113.07061	0.5
115.05428	0.8
115.08659	2.4
117.05685	1.3
118.06496	2.8
119.04893	5.5
119.07289	0.7
119.08541	0.5
120.08093	0.5
121.06472	1.0
122.07153	2.0
123.04430	0.6
123.07883	0.4
124.08669	0.5
125.07074	21.8
126.05452	0.5
127.03931	0.5
127.08666	1.0
129.06616	0.8
129.10194	8.6
130.04965	1.8
130.06465	4.7
132.08022	3.6
133.10126	0.6
134.05994	8.6
135.05801	0.7
135.06767	6.6
136.07558	35.5
137.07112	2.3
137.08032	0.4
137.09573	0.5
138.05519	0.4
139.08669	0.5
141.01923	0.6
142.06532	2.4
144.07019	0.6
144.08032	5.0
145.05200	1.9
145.07607	0.5
146.05989	26.1
147.04428	1.6
147.07632	0.7
148.07578	2.1
148.08617	1.1
150.06627	7.7
151.07434	2.5
151.08705	2.5
152.08142	4.1
153.06575	0.9
153.10190	0.5
154.06474	1.7
156.08072	0.4
159.09166	9.5
159.11739	0.5
160.07578	1.0
161.13185	0.5
162.09074	6.0
162.10092	0.4
163.08646	1.7
165.10277	0.5
167.11777	0.6
169.07571	9.8
169.13373	0.4
170.05962	6.7
171.09108	5.7
172.07544	7.6
174.05548	2.2
176.08180	2.8
179.08116	3.1
181.09741	2.9
186.09097	1.8
188.07019	14.5
189.10265	1.9
193.09752	0.5
196.11372	0.4
197.07089	2.3
197.10881	0.6
198.05527	1.6
199.08694	2.2
200.07109	2.2
201.11562	0.8
205.09795	2.8
207.07719	2.2
210.05608	0.8
215.08130	4.7
217.09665	5.1
225.10236	1.8
227.08130	8.1
233.12892	2.1
235.10710	0.5
240.13281	0.9
241.13370	1.6
242.12964	0.7
243.11189	4.8
253.13402	0.5
255.07544	0.8
257.12692	0.6
268.14389	0.7
269.12836	1.0
270.12305	15.7
270.15381	0.5
271.10812	4.6
271.14114	0.5
273.12460	0.5
281.12967	0.7
285.07507	0.7
285.12460	2.0
286.15726	0.7
296.13748	3.0
298.15350	0.6
299.14029	1.8
306.14804	0.6
309.12244	0.5
313.11743	0.5
314.14911	17.1
316.12750	4.5
324.13345	19.5
325.13574	0.5
326.15054	1.0
334.12003	0.7
342.14435	12.7
343.15088	0.6
352.12817	12.5
354.14645	0.6
362.11325	1.4
369.15683	0.9
370.13892	0.7
371.14362	0.6
379.53369	0.5
410.17130	0.9
422.28906	0.4
423.20438	3.0
432.19189	0.7
433.18729	2.2
448.18686	0.7
450.21188	0.5
451.19717	9.5
453.17685	1.5
461.18277	1.7
477.21106	6.0
478.20621	0.6
479.19424	3.7
487.19632	0.5
496.21808	0.5
505.20673	5.3
507.18939	1.6
515.19086	0.8
522.23395	2.1
524.21350	0.5
534.23273	0.6
552.24591	0.8
562.22504	3.2
580.23914	7.0
590.22418	1.8
608.23334	7.3
616.23181	0.6
626.24860	0.5
633.26099	0.8
642.25586	1.6
659.28058	2.0
687.27814	5.3
688.27698	0.7
700.13812	0.5
725.28961	0.6
732.33057	1.7
742.30011	0.5
743.29645	3.2
753.28522	1.0
760.32715	0.6
766.31866	0.9
770.31049	2.6
771.29797	4.7
788.32593	6.1
789.31464	0.8
794.31268	0.8
812.32458	0.5
865.34692	0.6
891.37115	1.5
899.44427	0.6
902.38861	0.5
929.37701	2.2
930.37091	0.8
946.41858	0.6
947.39392	3.4
957.37000	2.2
964.41254	2.3
974.40204	10.0
975.38641	3.9
992.41180	6.2
997.04688	0.5
1019.80377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.5936
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06987	0.8
70.06505	1.9
71.07286	6.2
72.08064	0.9
73.78834	0.2
79.05415	1.7
81.06974	2.5
84.04427	0.3
84.08070	1.1
86.09630	55.1
87.09971	0.5
91.05403	1.5
93.06972	2.4
95.08542	1.5
98.98402	4.0
104.10683	85.2
105.06988	0.2
105.11004	0.9
107.08526	1.0
109.10110	0.3
119.08521	0.3
120.08025	0.5
121.10107	0.5
124.99967	32.0
129.10205	0.3
136.07520	0.2
143.01035	0.5
163.01514	0.8
184.07312	100.0
185.07649	1.4
219.67598	0.2
258.11047	0.8
260.06155	0.2
304.06174	0.2
335.25739	1.1
377.46417	0.2
441.23871	0.3
500.31290	6.6
518.32355	74.1
519.32532	4.4
540.30408	0.5
641.90900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06510	16.4
71.06829	0.2
72.04446	0.2
72.08071	8.1
74.05989	5.9
81.04446	0.1
82.06513	0.9
83.06030	0.2
84.04430	7.0
84.07584	0.2
84.08066	3.3
85.03960	1.7
86.05986	0.2
86.09636	0.5
91.05408	14.1
92.05738	0.1
93.04446	0.1
95.04920	0.2
96.04446	0.1
98.05953	0.2
99.09146	1.6
100.07561	0.2
101.07072	0.2
102.05547	0.2
103.05361	0.1
107.04903	3.8
109.06449	0.2
110.05972	0.3
110.07127	1.3
111.05537	0.2
112.07556	0.2
113.07123	0.4
114.05464	0.1
115.05408	0.9
115.08627	0.1
117.05731	0.7
117.06950	0.1
118.06499	6.1
119.04899	10.9
120.08036	0.3
121.06446	0.7
125.03421	0.2
125.07079	0.2
126.05443	0.2
127.08642	2.5
128.10699	0.2
129.05690	0.1
129.06572	0.7
129.10222	1.6
130.04973	0.2
130.06500	5.0
131.04865	0.1
132.08064	5.7
134.05998	0.6
135.06755	0.7
136.07558	76.6
137.07932	1.0
139.08643	0.5
141.06630	1.0
142.06532	1.8
143.07266	0.7
144.08075	6.7
145.07579	0.5
146.05991	100.0
147.04387	0.6
147.06355	1.6
148.07574	1.0
151.05034	0.2
154.06485	1.3
155.08188	0.2
156.08080	0.9
157.07576	0.5
158.05988	0.3
158.08371	0.6
158.09671	0.5
159.09148	12.2
160.07547	1.6
162.05405	0.5
163.08646	0.2
165.10179	0.5
167.07123	0.1
167.11740	0.8
168.08054	0.2
169.06195	0.3
169.07565	8.3
170.05983	8.2
171.09135	3.9
172.07455	0.2
173.09171	0.8
173.10614	0.2
174.05478	4.3
174.09048	1.1
176.07088	0.2
181.07668	0.4
181.09691	5.9
182.06013	1.3
182.08298	0.2
183.09171	0.7
183.11247	0.6
184.07562	0.3
185.07065	1.7
185.10657	0.2
186.10252	0.2
187.08655	1.1
188.07034	37.4
189.06265	0.2
189.07472	0.2
190.04988	0.2
190.12213	0.8
191.08145	0.5
192.06487	0.6
192.10130	1.9
193.09692	0.2
195.07658	2.2
195.09283	0.2
197.05528	0.2
197.07089	1.5
197.08728	0.2
197.10742	1.1
198.05585	0.2
198.07735	0.2
199.08768	0.9
199.12444	0.2
200.07039	0.2
200.10675	0.6
201.10275	0.1
202.08563	1.4
203.08104	0.5
205.09692	17.6
208.10802	0.2
209.07227	0.2
209.09113	2.5
209.10724	0.2
211.08676	0.1
215.08134	8.8
217.09689	0.7
217.13326	1.4
219.11336	0.2
220.09666	0.1
225.06567	0.1
225.10295	1.5
225.13885	0.3
227.08275	0.2
227.11732	0.6
229.09723	2.5
230.08058	0.6
231.07605	0.6
231.11253	0.8
232.10753	2.0
233.12848	0.2
235.14333	0.2
236.10268	0.3
237.12294	0.7
238.09798	0.2
239.08134	0.2
241.13351	0.8
243.07507	0.7
243.11288	0.5
245.09096	0.6
245.12808	9.9
246.12914	0.1
247.10754	0.8
250.11836	0.2
251.11711	0.5
252.14987	0.2
253.13219	1.4
254.09140	0.2
255.11237	0.2
257.09155	0.9
259.10489	0.2
260.10535	0.5
260.13916	0.7
265.11911	0.8
268.14386	0.5
269.12762	1.0
270.12268	0.5
270.15973	0.2
271.10605	0.2
272.10275	0.3
273.12289	24.3
274.12527	0.2
275.10068	1.1
280.14493	0.5
281.12711	1.9
282.12305	0.3
286.15311	0.5
288.13416	0.6
290.14978	0.7
291.16818	0.2
296.13828	0.5
297.12094	0.2
298.11710	0.5
298.15182	0.3
301.11777	5.1
306.11035	0.3
306.14432	4.9
314.14951	3.5
316.12741	0.7
318.14410	2.9
324.13168	0.2
328.16632	0.3
333.15552	0.5
336.13403	0.1
342.14441	1.2
344.16000	0.2
356.16010	2.2
357.15717	0.2
358.17789	0.2
371.17023	0.4
372.15741	0.2
373.18777	0.2
374.16959	1.9
379.17633	0.2
384.15475	1.4
389.18073	1.1
391.19678	0.3
399.16287	1.0
401.18051	1.2
402.16531	4.0
415.19589	0.2
416.15564	0.2
419.19183	4.7
424.18567	0.2
443.19135	0.2
451.19992	0.2
453.21347	0.2
459.19965	0.2
460.18573	0.7
461.17996	0.2
469.20416	0.3
474.43930	0.1
479.19180	0.2
498.23456	0.3
505.20651	1.2
516.22272	0.2
526.22546	0.8
542.23883	1.0
544.25848	0.9
545.24219	0.2
560.25146	0.9
562.26642	2.1
570.23108	0.9
578.26025	1.3
588.24438	13.0
589.24152	0.3
605.26874	2.2
606.25525	8.4
607.25488	0.6
623.27759	0.5
624.25995	0.2
661.29462	0.7
689.28424	0.8
712.32190	0.1
730.31543	0.7
731.73267	0.2
768.32715	0.1
772.32147	0.2
786.34009	0.2
790.33197	0.6
831.37006	0.2
893.37476	0.2
958.40125	0.2
966.42383	1.1
976.41791	4.0
977.40833	0.3
994.42664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6099
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06509	3.2
71.07283	3.2
71.92881	0.2
72.08076	2.0
75.05130	0.2
81.06966	0.7
84.04434	1.1
84.08072	3.5
84.44780	0.2
86.09626	41.6
87.09952	0.2
91.05373	0.4
92.63738	0.2
92.96456	0.2
93.06985	0.7
95.08517	0.3
98.98389	4.0
103.56470	0.2
103.95497	0.2
104.10672	3.8
110.07108	0.8
120.08047	1.7
121.10959	0.2
124.99963	28.1
125.20155	0.2
128.92543	0.2
129.10196	2.1
136.07553	0.7
143.01018	0.8
143.11765	0.2
156.92300	0.2
170.52742	0.2
172.95213	0.3
184.07303	100.0
185.07602	1.1
190.96196	0.2
306.27805	0.4
500.31012	1.0
518.32336	16.8
519.32574	1.5
604.83380	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	997.6225
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06986	0.5
70.06512	1.2
71.07287	5.9
72.08032	0.5
78.18953	0.5
79.05424	0.7
81.06963	3.0
86.09630	58.6
91.05361	0.6
93.06932	0.8
95.08527	2.0
98.98407	3.9
104.10684	86.0
105.10999	2.0
117.57397	0.5
124.99965	32.9
136.01614	0.5
139.91975	0.5
140.82988	0.5
149.02328	1.1
163.01480	0.9
184.07304	100.0
185.07695	1.0
193.04932	0.9
201.10677	0.5
274.51559	0.5
290.53986	0.5
337.27271	0.7
337.38763	0.5
359.35767	0.6
502.32721	4.9
520.33905	67.7
521.34351	4.8
555.02539	0.6
574.65356	0.5
694.43311	0.7
759.19556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6239
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06973	0.2
70.06503	0.3
71.07283	2.8
72.08070	0.1
79.05418	0.1
79.97710	0.1
81.06954	0.4
83.82930	0.1
84.08070	0.2
85.96558	0.1
86.09623	34.7
87.09956	0.7
89.03369	0.1
89.35921	0.1
91.05426	0.1
92.10931	0.1
93.06985	0.1
95.08511	0.1
97.10098	0.1
98.98389	2.9
98.99008	0.1
104.10672	3.2
107.08508	0.1
109.10136	0.1
116.99432	0.1
120.08087	0.1
124.99960	25.6
126.00302	0.1
129.10185	0.1
143.01009	0.6
166.02635	0.1
184.07300	100.0
185.07664	1.6
218.80516	0.1
258.10974	0.2
337.27335	0.3
432.00623	0.1
502.32822	1.5
503.33115	0.1
520.33875	19.8
521.34235	1.9
602.20605	0.1
773.62585	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	1001.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	3.5
71.05026	2.5
72.99302	1.4
73.02934	1.2
81.03455	15.1
83.01385	19.8
83.05040	0.5
84.02154	4.0
85.02950	100.0
86.03300	1.1
86.05702	0.3
87.00851	0.6
91.01878	3.3
97.02922	0.7
98.63992	0.3
99.00861	1.4
99.04514	67.7
101.02440	0.7
103.00349	0.3
108.02164	8.2
109.02935	1.7
109.06615	0.4
111.00883	46.8
112.61266	0.3
119.04996	0.3
121.02950	5.3
123.00856	3.5
123.04515	20.9
124.01685	1.7
125.02444	1.9
127.00371	1.2
127.04013	63.2
128.04343	0.3
129.01941	33.9
133.02997	0.3
134.03743	3.6
136.98842	0.4
138.03209	1.1
139.07654	0.5
144.87479	0.4
147.03011	4.6
152.01161	13.9
153.01950	0.4
153.05603	4.7
154.99928	2.1
163.03941	0.3
164.04889	0.5
166.02747	2.3
167.03499	61.2
167.07117	2.9
168.03809	1.3
171.02994	18.5
173.00914	1.3
175.04066	0.6
175.63976	0.3
176.04785	0.7
182.02188	2.2
189.04091	1.4
191.02046	0.6
192.04349	2.9
193.05060	3.2
197.00989	1.3
197.04561	12.5
207.06650	5.0
211.06091	0.3
215.01999	6.2
220.03845	0.5
229.07211	1.4
233.03026	1.9
235.06122	12.1
237.07674	0.4
252.04346	0.4
261.04105	0.4
265.07196	1.2
268.03925	0.4
269.04559	22.1
270.04886	3.2
271.08203	3.4
273.06219	2.4
279.05090	5.2
284.03119	0.4
297.06061	2.0
312.84799	0.3
315.07281	4.6
323.04047	1.9
323.46490	0.3
333.08481	4.0
339.07220	4.4
353.05014	0.6
369.08096	0.3
371.06064	0.7
379.10422	0.6
383.06192	1.2
396.29272	0.4
413.07965	0.4
423.09290	1.2
431.08185	1.8
483.11346	2.9
517.19720	0.6
529.53998	0.3
888.11865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	3.0
72.99310	0.4
73.02933	0.6
74.42014	0.3
75.00888	0.3
77.05294	0.3
83.01389	5.1
84.02158	1.8
85.02950	100.0
86.03249	0.5
86.25002	0.3
87.00880	0.6
93.03474	1.2
96.96013	2.0
99.00887	0.4
101.02428	1.5
103.00368	0.3
108.02144	0.5
109.02979	0.3
111.00150	0.6
111.00884	12.4
115.00404	0.3
117.03458	1.7
121.02955	6.4
123.00864	1.2
123.04499	1.1
125.02490	0.4
128.62134	0.3
129.01936	32.1
134.03738	19.7
135.04492	0.3
137.02428	2.4
138.03227	1.8
139.00371	2.2
139.04050	0.6
147.03000	9.9
149.02448	1.7
149.06134	2.6
152.01176	1.4
153.01781	0.4
153.05574	7.3
160.01662	0.7
161.02458	0.4
163.04028	0.5
164.04761	0.6
166.02763	0.4
166.99915	0.5
167.03514	3.3
168.03838	0.4
173.00928	9.7
175.03946	2.3
178.02802	0.6
179.03680	0.3
182.02271	1.6
191.01967	6.7
191.03499	0.5
193.05067	17.5
193.06847	0.6
196.03885	0.7
197.04579	12.7
207.02994	0.3
209.03055	1.8
222.05408	1.3
223.06158	1.6
237.07658	1.2
261.07678	1.5
265.07169	3.5
297.06116	0.5
307.08582	1.4
323.07846	1.8
327.07272	7.7
341.04941	0.6
353.05408	0.4
367.06732	14.5
368.07169	0.6
371.06250	7.9
385.07758	4.3
389.07425	4.3
397.07712	0.6
449.11142	0.5
508.11969	0.4
565.12158	8.9
612.15820	0.4
613.17487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	14.0
72.99311	1.2
73.02931	3.9
75.00862	5.8
76.93041	0.8
83.01366	1.0
85.02950	13.0
86.00082	0.9
86.98969	0.9
87.00845	5.8
88.98798	100.0
89.02436	4.1
92.22101	1.0
95.01387	1.1
99.00856	7.7
101.02444	4.2
103.03986	1.1
112.01646	1.0
113.02440	12.1
115.04023	1.3
126.70914	0.8
131.03468	7.8
141.72292	0.9
143.03493	5.4
151.18097	0.9
163.06238	0.9
196.94310	0.8
199.08856	0.9
205.07204	4.5
225.05748	0.9
458.45450	0.8
911.50146	89.3
912.50275	8.3
913.50409	5.1
941.50983	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	1001.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	24.7
72.99300	2.2
73.02959	3.7
75.00875	8.8
83.01382	3.4
83.05042	0.5
85.02954	23.5
86.00108	0.5
87.00871	6.2
89.02441	11.6
89.24338	0.4
95.01389	6.2
99.00884	13.0
101.02444	13.7
111.00877	0.8
112.01676	0.7
113.02455	21.2
115.00360	0.6
119.03493	3.8
125.02421	0.4
131.03505	8.7
139.00368	2.3
143.03510	0.8
157.01399	1.7
159.02989	1.4
161.04558	9.9
175.56342	0.5
179.05630	1.5
187.13365	0.8
198.16255	0.4
221.06664	7.9
248.65303	0.4
269.04541	0.7
287.78296	0.5
349.18750	0.7
409.30710	0.4
441.33939	1.6
446.47638	0.5
489.35843	0.6
689.38000	0.5
941.48999	0.5
983.48083	1.2
1001.49719	100.0
1002.50122	7.3
1005.83795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	12.7
72.99306	1.3
73.02540	0.2
73.02944	4.4
75.00449	0.3
75.00861	6.2
75.01291	0.2
83.01379	2.1
84.02174	0.1
85.02941	13.1
85.82564	0.1
86.00082	0.6
87.00867	4.9
87.04507	1.2
89.01888	0.2
89.02436	6.1
95.01370	3.4
95.79154	0.2
97.02917	0.3
99.00224	0.3
99.00866	7.0
99.04511	0.3
101.02428	8.3
103.03999	2.3
111.00871	0.3
112.01651	0.9
113.02439	10.5
115.00346	0.2
115.03983	3.2
117.86528	0.1
119.03489	1.8
125.02444	0.5
127.04072	0.2
129.01979	0.2
131.03476	4.3
139.00314	1.0
143.03485	5.5
145.05074	0.9
157.01436	1.3
161.04518	1.2
163.06105	2.5
172.12140	0.1
191.06024	0.1
205.07198	3.7
367.12491	0.2
437.34369	0.7
457.36835	0.9
549.36743	0.2
615.39227	0.9
734.52423	0.2
863.87457	0.2
923.50305	0.3
941.51129	100.0
942.51422	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	1001.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	20.3
72.99291	1.5
73.02937	4.4
75.00864	9.8
83.01398	3.4
84.38356	0.7
85.02943	20.3
86.00111	1.0
87.00864	7.2
87.04488	1.6
88.98792	3.6
89.02439	12.2
95.01384	4.1
99.00873	12.4
101.02433	12.0
103.04030	2.9
110.80961	0.7
113.02435	13.4
115.00236	0.7
115.03975	1.6
119.03513	3.1
131.03474	6.9
143.03499	5.9
157.01440	1.4
161.04604	1.6
163.06142	1.4
182.18842	0.7
205.07191	6.2
311.18668	0.7
457.37094	1.3
539.46320	0.7
787.44830	0.8
911.50189	3.5
941.51196	100.0
942.51752	13.0
967.32910	0.7
1001.51019	1.3
1013.54102	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	1002.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00984	0.9
71.01380	25.4
72.01711	0.9
72.99310	3.3
73.01799	0.5
73.02950	6.1
75.00873	10.7
78.82587	0.3
83.01366	4.0
85.02947	24.3
85.16924	0.4
86.00059	0.9
86.03273	2.2
87.00875	11.1
87.03396	0.4
87.04498	2.6
89.02442	9.6
92.11704	1.9
95.01375	6.2
96.01730	0.5
97.02934	0.7
99.00875	13.2
100.01193	0.6
101.02437	14.8
101.05411	0.3
102.02789	0.8
103.04000	4.4
112.01667	0.9
113.02445	20.4
114.02770	1.9
115.04002	3.5
116.83580	0.3
118.36129	0.5
119.03516	3.5
119.69420	0.4
120.55202	0.4
125.02422	0.5
127.04026	0.5
131.03482	6.7
139.00345	2.2
143.03491	9.5
144.03851	0.5
145.05077	1.5
157.01431	2.9
161.04587	2.6
163.06137	2.8
189.51909	0.5
205.07173	6.8
206.07600	0.4
391.30356	1.3
403.67996	0.4
407.33209	2.0
408.33426	0.5
429.11362	0.4
435.32922	0.6
455.35007	1.7
456.35675	0.6
613.38049	0.9
939.49683	100.0
940.49878	8.9
941.31512	0.8
941.50433	27.2
942.50562	53.6
960.92102	0.5
1002.47864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62968	0.1
90.72819	0.0
91.01891	0.3
92.11707	0.3
117.03445	0.1
117.46088	0.1
123.72083	0.1
132.02162	0.2
133.02924	0.4
135.00897	0.4
135.74402	0.1
153.01874	0.2
160.01643	0.1
169.06660	0.1
181.06583	0.2
183.04674	0.1
185.44173	0.1
196.05249	0.2
197.06122	0.5
202.83144	0.1
208.05278	0.5
209.06073	1.0
211.04094	0.1
223.04074	0.5
224.04811	1.3
225.05495	0.6
237.05550	0.5
251.03561	0.1
252.04297	2.1
253.05077	100.0
254.05411	2.2
254.07924	0.1
255.06644	0.1
275.07352	0.1
295.06137	0.9
457.11472	0.2
501.20273	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	1003.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	2.4
72.99314	0.5
73.02966	0.4
76.57872	0.3
83.01397	5.3
84.02148	2.2
85.02950	100.0
86.03296	0.6
87.00857	0.5
89.00326	1.4
91.01888	0.4
96.96017	0.7
99.00874	0.6
99.04533	1.3
101.02448	1.7
102.52278	0.3
103.00393	0.6
106.00601	1.2
110.61544	0.3
111.00880	11.6
113.02440	0.3
115.00356	0.3
117.85453	0.3
121.02950	22.0
123.00898	2.6
123.04488	1.1
125.02437	1.1
127.00411	0.7
129.01939	49.0
137.02483	0.5
138.03227	3.1
139.00391	3.4
139.04018	2.0
147.03004	9.0
153.02032	0.5
153.05577	18.7
154.02750	0.4
154.99876	0.5
163.04045	0.4
166.99854	2.4
167.74602	0.3
173.00922	11.4
181.01495	0.4
182.02184	6.7
191.01985	4.2
193.05118	1.1
194.47823	0.3
196.03874	1.1
197.04570	39.1
198.04903	0.5
203.21130	0.3
207.02939	0.5
209.03079	1.9
211.06168	1.1
222.05289	2.0
237.07744	2.1
240.34406	0.3
250.04871	0.4
251.11461	0.4
253.71574	0.3
265.07260	6.5
285.07614	1.2
293.12589	0.4
309.06241	1.4
313.07382	0.7
327.07272	11.9
353.05399	0.4
371.06238	19.6
389.07309	10.1
395.15775	1.1
433.11581	0.5
569.11536	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	1004.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	19.0
72.01720	1.3
72.99309	2.5
73.02946	5.8
75.00871	9.8
81.03471	0.3
83.01392	3.1
85.02950	20.7
86.00096	1.5
86.03280	1.5
87.00352	0.4
87.00871	7.6
87.04503	1.7
89.02444	10.4
95.01385	4.3
96.01694	0.4
97.02951	0.3
99.00874	11.0
100.01186	0.3
101.02440	13.9
102.02773	0.4
103.02947	0.3
103.04029	3.2
111.00873	0.5
112.01675	1.5
113.02452	15.9
114.02777	1.1
115.04019	3.2
119.03481	3.0
131.03491	6.1
132.03839	0.3
133.03958	0.3
139.00365	2.4
143.03502	9.8
144.03870	0.5
145.05070	1.3
157.01454	1.5
161.04543	2.5
163.06133	4.1
205.07185	6.7
206.07416	0.3
247.08337	0.3
287.33127	0.3
303.49701	0.3
314.27496	0.3
391.30640	0.3
397.50867	0.3
437.34430	0.5
457.37006	1.1
533.01349	0.3
615.39093	0.6
795.44897	0.4
818.79419	0.3
821.46765	0.6
925.48376	1.2
941.51245	100.0
942.51599	13.8
943.51886	14.2
944.52136	40.1
945.53070	1.1
1004.51697	0.4
1009.50586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	0.1
73.02934	0.1
77.68099	0.0
83.01370	0.1
85.02944	0.2
89.00337	0.1
89.02429	0.1
91.01882	0.4
99.00903	0.1
101.02435	0.1
103.66726	0.0
107.01383	0.9
113.02461	0.1
117.03458	0.1
121.02939	0.1
123.04503	0.1
132.02151	0.5
133.02951	2.3
134.03815	0.1
135.00874	0.3
135.04515	0.4
151.00354	0.3
153.01953	0.2
155.05045	0.2
156.05750	0.1
157.02921	0.4
159.04529	1.0
161.02357	0.1
165.55080	0.1
167.03484	0.1
167.05017	0.0
169.06575	0.6
171.04465	0.1
173.06125	0.1
176.01207	0.1
180.05855	0.6
181.06598	1.3
182.03731	0.1
183.04510	0.9
183.92877	0.1
195.04587	0.2
196.05315	0.7
197.06119	0.7
199.04016	0.4
201.05646	1.2
209.06155	0.3
211.04044	0.3
212.04837	0.1
213.05661	0.4
223.03990	0.3
224.04834	1.3
225.05624	1.2
226.02731	0.1
227.03546	0.3
237.05554	0.1
239.03531	0.6
239.07246	0.1
240.04321	1.3
241.05136	0.4
253.05096	1.1
255.06694	0.1
265.05112	0.1
267.03027	0.8
268.03815	10.3
269.04587	100.0
270.04916	2.0
271.06128	0.1
281.04572	0.1
282.05304	0.3
283.06143	3.4
284.03265	0.1
291.06757	0.6
297.04010	0.1
299.05566	0.1
301.07184	0.3
311.05646	5.0
335.05911	0.4
353.06668	0.2
369.61337	0.1
413.08795	0.1
473.10977	1.0
487.12558	0.1
781.64801	0.1
977.34070	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	1005.347
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57999	0.7
70.96729	0.9
71.00991	2.1
71.01385	59.3
72.99299	4.5
73.02951	65.6
74.05634	0.9
78.24940	0.8
78.56377	0.8
79.17110	0.8
81.03463	1.5
83.01392	22.5
85.02948	15.1
87.00868	1.6
89.02436	21.6
95.01370	5.0
97.02955	9.0
99.00881	19.0
99.04504	5.1
101.02441	76.6
102.66878	1.0
111.00925	0.9
113.02453	24.5
113.07513	0.9
119.03487	7.2
119.04970	1.1
121.02959	1.0
121.65156	0.8
125.02440	53.6
131.03485	4.7
137.02499	1.1
143.03499	4.4
149.04572	1.0
153.01772	1.2
153.98941	0.9
161.04564	14.5
163.04025	0.9
165.01874	0.9
180.04225	1.0
191.05629	1.0
193.12332	10.8
203.05675	1.7
211.13464	1.6
253.05106	3.8
269.04465	1.2
318.47482	1.0
355.17581	3.5
373.18738	15.2
401.10965	1.3
415.19818	100.0
416.20316	1.0
419.12067	38.2
461.13165	25.9
501.16235	4.0
653.39404	1.0
757.29260	1.3
775.30219	4.2
817.31561	32.9
859.32843	9.7
899.36334	1.3
919.35248	1.2
961.35657	43.5
962.35895	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	0.1
79.33580	0.1
83.01383	0.2
85.02937	0.1
88.96618	0.1
91.01886	0.6
92.65615	0.1
93.03449	0.1
99.04463	0.1
107.01392	0.6
111.00872	0.3
113.02485	0.1
117.03433	0.1
119.04969	0.1
121.02927	0.4
123.04487	0.1
127.03986	0.1
131.04959	0.1
132.01176	0.1
132.02153	1.8
133.02934	2.0
134.03758	0.5
135.00880	0.7
135.04501	0.4
141.74918	0.1
149.06081	0.1
151.00375	0.3
153.01955	0.6
155.05009	0.1
156.05859	0.1
157.02928	0.4
158.03775	0.1
159.04514	0.8
161.02457	0.1
162.16953	0.1
167.05009	0.1
168.05751	0.1
169.06578	0.4
171.04514	0.3
173.06061	0.1
176.01146	0.3
179.04996	0.1
180.05786	0.7
181.06586	1.5
183.04483	0.9
184.05296	0.3
191.50920	0.1
193.05048	0.4
195.04507	0.7
196.05292	0.9
197.06081	0.8
198.03192	0.1
199.04065	0.4
201.05536	1.5
209.06148	0.1
211.04031	1.8
211.38573	0.1
212.04803	1.0
213.05569	0.5
223.04030	1.5
223.06094	0.1
224.04784	2.3
225.05544	1.5
226.02678	1.0
227.03465	0.6
237.05579	0.1
239.03496	5.6
240.04265	2.5
241.05087	0.6
251.03368	0.1
253.05098	0.8
255.06519	0.1
265.05096	0.1
267.02997	6.6
268.03775	59.0
269.04544	100.0
270.04877	2.4
271.06067	0.4
273.10263	0.1
279.06320	0.1
281.04596	0.3
282.05212	0.1
283.06149	0.8
291.06723	0.2
291.86844	0.1
293.04364	0.1
311.05548	1.5
327.25504	0.1
335.05371	0.1
341.06567	0.1
380.08633	0.1
392.69327	0.1
473.10904	43.5
474.11267	1.5
749.51257	0.1
771.91113	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	1007.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	1.7
72.99303	0.5
73.02951	0.7
75.00862	0.2
83.01392	4.1
84.02158	1.8
85.02950	100.0
86.03275	0.3
87.00880	1.3
88.28159	0.1
89.02441	0.2
89.03963	0.3
91.01885	1.6
92.12398	0.6
99.00845	0.3
101.02446	1.2
103.00368	0.7
108.02175	3.0
109.02970	0.8
111.00878	12.5
115.00332	0.2
117.03467	1.7
121.02941	0.2
123.00893	0.7
123.04514	8.2
124.01662	0.9
125.02431	0.6
127.03999	0.6
127.62115	0.1
129.01938	42.8
133.02924	0.1
134.03734	20.1
135.04539	0.2
137.02455	0.5
145.01474	0.6
147.03004	10.4
149.06071	2.9
151.03909	0.2
152.01151	3.5
154.99898	0.2
160.01663	1.9
161.02525	0.3
163.03970	0.2
164.04781	0.2
166.02774	0.9
167.03500	19.4
168.03915	0.2
173.00914	10.9
174.03172	0.2
175.04010	3.4
176.04836	0.2
177.05609	0.1
178.02744	1.6
181.05072	0.7
189.05641	0.2
191.02008	7.8
191.07060	0.2
192.04320	1.3
193.05077	19.6
194.05434	0.3
207.06671	1.5
209.03009	1.6
218.05917	0.2
220.03883	0.2
233.08109	0.1
235.06133	4.6
259.06204	0.2
261.07721	1.3
269.04556	1.0
279.05167	0.7
287.05823	0.4
297.06155	7.1
305.06766	0.2
323.04184	0.4
323.07791	2.0
341.05188	11.5
342.05447	0.2
359.01810	0.2
359.06241	4.6
360.02460	0.1
367.06747	11.3
368.06924	0.2
385.07828	4.6
491.12125	0.2
535.11023	9.8
561.25732	0.2
1006.83759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	17.4
72.99303	1.2
73.02943	9.3
75.00455	0.4
75.00871	10.8
80.55527	0.2
81.03458	0.3
83.01389	4.2
84.95131	0.2
85.02950	11.9
86.00075	0.7
87.00873	3.1
89.02440	4.5
92.12410	0.7
95.01379	4.1
97.02943	3.9
99.00877	12.4
101.02435	11.8
101.02953	0.2
111.00869	0.3
112.01656	0.4
113.02452	12.4
115.00377	0.4
115.04018	0.2
119.03513	1.0
125.02442	5.8
129.01930	0.4
131.03462	0.8
139.00398	0.7
143.03465	0.8
149.04564	0.2
151.58908	0.2
155.03503	0.2
157.01453	1.1
161.04544	1.8
257.06638	0.2
463.35364	0.2
554.70276	0.2
563.37561	0.2
583.41083	0.2
603.27582	0.2
741.41595	0.4
751.09625	0.2
921.48901	1.1
963.49652	100.0
964.49701	5.5
1016.92175	0.2
1017.16779	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1008.7637
Annotation	Unknow
Peak:m/z	Relative Intensity
74.65409	0.3
78.95470	0.4
78.95907	6.8
80.36514	0.3
81.41297	0.3
91.59318	0.3
93.31332	0.3
109.99171	0.3
116.92832	0.5
168.04330	3.0
204.88229	0.4
209.19077	0.3
214.78731	0.3
224.06920	2.3
227.20184	62.9
228.20483	0.4
279.23294	100.0
280.23672	1.7
380.93750	0.3
404.45035	0.3
405.56207	0.3
447.88022	0.3
486.29956	0.6
504.30679	2.9
723.21796	0.3
766.53992	48.4
767.54413	1.7
812.12555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	1.2
71.05025	2.1
72.99303	1.4
73.02944	0.4
81.03452	14.1
83.01385	16.4
83.05029	0.3
83.94381	0.2
84.02167	2.8
85.02946	60.5
86.03256	0.2
87.00872	0.4
89.03967	0.4
91.01890	9.5
91.58492	0.2
95.01382	0.4
97.02950	0.8
99.00878	0.8
99.04512	20.0
101.02431	0.3
108.02172	16.1
109.02956	1.5
111.00877	35.8
117.03462	2.2
123.00909	2.2
123.04512	41.4
124.01650	2.4
125.02463	0.9
127.04006	25.3
129.01930	31.1
132.02158	0.3
134.03732	32.8
136.01659	0.7
137.02443	1.6
139.00487	0.2
139.03973	0.3
147.03024	3.4
147.04164	0.3
147.04529	0.2
149.06076	4.9
151.04008	0.4
152.01155	27.7
153.01857	0.2
154.99872	1.3
160.01656	2.3
161.02504	0.2
163.04030	0.4
164.04709	0.3
166.02696	1.8
167.03491	100.0
168.03856	0.8
171.02985	15.4
173.00920	1.3
174.03183	0.9
175.03995	5.2
176.04713	0.3
178.02708	6.4
189.04044	1.6
189.05624	0.7
191.02034	0.4
192.04324	3.4
193.05060	40.9
194.05447	0.2
194.68005	0.2
197.00893	1.6
202.06421	0.3
207.06635	4.1
215.02005	4.8
217.08734	0.3
220.03754	0.9
233.03041	2.1
233.08194	0.4
235.06116	13.0
261.07748	2.7
279.02283	0.2
279.05151	3.9
297.06204	1.9
305.06613	0.2
323.04190	5.4
339.07211	4.2
341.05246	2.8
365.08813	1.6
367.06775	0.9
383.06293	4.3
401.07242	1.9
405.42596	0.2
409.07794	1.9
427.08975	1.6
473.10968	0.3
517.09839	0.9
577.12097	1.5
866.34827	0.2
876.51782	0.3
885.36700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.8
75.00859	0.2
79.95737	5.3
85.02950	0.9
87.00875	0.2
92.11679	0.6
92.12303	1.1
95.43229	0.2
96.96004	100.0
99.00867	0.7
101.02441	0.2
110.45560	0.2
113.02399	0.5
129.68744	0.2
131.03508	0.4
135.09026	0.2
143.03508	0.3
171.98888	0.1
205.07347	0.2
225.93758	0.2
246.58643	0.2
451.37332	0.2
862.27863	0.2
911.50354	4.8
921.22430	0.2
937.69696	0.2
1009.48279	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	1011.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	1.5
72.99311	0.3
73.02953	0.8
75.00881	0.2
83.01389	5.0
84.02161	1.5
85.02946	100.0
86.03266	0.3
87.00874	1.0
89.00320	0.3
93.03455	0.2
94.26002	0.2
95.01389	0.2
100.48203	0.2
101.02457	0.4
103.00337	0.3
106.00581	0.3
111.00871	12.4
115.00362	0.2
119.05014	0.3
121.02940	10.2
123.00887	1.6
127.00353	0.2
129.01927	42.4
130.02243	0.3
132.02165	0.3
135.04565	0.2
136.98784	0.2
137.02426	0.3
138.03230	2.1
139.00343	1.5
139.03984	0.8
141.60802	0.2
145.01395	0.3
147.03000	10.2
147.04485	1.1
149.02434	15.4
153.05573	7.0
163.03943	0.3
164.04787	12.3
165.05345	0.3
166.99840	1.5
173.00902	11.4
173.02406	0.5
175.00360	0.3
177.01921	0.4
178.06360	0.2
179.03481	0.3
179.07126	2.1
181.01508	0.3
182.02222	3.8
190.02710	1.7
191.00299	0.4
191.01970	7.7
191.03529	0.4
193.01436	0.9
196.03966	0.3
197.04555	16.9
205.05060	2.7
206.05859	0.3
207.02979	0.3
208.03801	2.2
209.02998	1.2
211.06224	0.4
221.08400	0.3
222.05263	0.9
223.06137	16.7
234.61548	0.2
237.07690	1.3
240.15738	0.2
265.07190	4.8
271.34595	0.2
286.14963	0.2
291.08685	1.9
309.06290	0.3
317.16467	0.2
327.07248	9.0
328.07678	0.3
335.07739	0.2
335.93808	0.2
353.05017	0.3
353.08926	1.8
353.89767	0.2
371.06216	10.4
372.06766	0.2
389.07364	5.2
397.07800	9.5
398.08276	0.4
415.08875	4.3
595.13110	5.2
596.13397	0.3
1038.25208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	20.4
72.61687	0.1
72.99309	2.3
73.02944	7.9
75.00867	10.5
81.03429	0.2
81.87601	0.2
83.01382	1.8
83.32472	0.1
85.02943	19.0
86.00092	2.2
87.00867	8.3
87.04510	2.6
89.02441	5.5
95.00760	0.2
95.01373	3.8
97.02940	0.7
99.00870	26.0
99.04512	0.3
101.02435	3.8
103.04000	1.8
111.00890	0.3
112.01675	1.2
113.02441	14.8
115.00381	0.9
115.04000	3.8
117.01916	0.2
119.03493	0.4
125.02451	0.6
129.01952	0.4
131.03487	9.5
139.00336	0.7
143.03503	7.8
145.05106	1.3
150.59123	0.2
157.01363	1.2
163.06122	1.2
205.07155	3.2
537.36523	0.3
557.38416	0.8
715.40778	1.0
891.47845	0.2
893.49139	0.2
925.97009	0.2
949.50861	0.2
993.50208	0.8
1011.51721	100.0
1012.52002	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	1017.5286
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	15.3
72.99303	1.5
73.02946	4.2
75.00871	7.9
83.01408	2.7
85.02948	17.4
86.00085	0.6
87.00880	5.2
87.04523	0.7
89.02434	7.8
95.01398	3.6
97.02962	0.4
99.00875	11.3
99.04505	0.4
101.02441	10.2
103.04002	3.0
111.00907	0.5
112.01662	0.6
113.02448	13.7
115.04007	2.3
119.03495	2.2
125.57134	0.3
131.03494	4.5
139.00403	2.1
143.03522	6.3
145.05087	1.4
157.01419	0.8
160.24458	0.4
161.04591	1.9
163.06148	2.0
205.07213	5.1
425.33942	0.5
425.87527	0.4
453.33920	0.4
473.36414	2.0
549.12073	0.4
631.37836	0.5
697.41119	0.4
939.49609	0.4
957.50757	100.0
958.50781	8.2
1039.05444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.0
85.02948	0.3
91.01899	0.2
93.03443	0.2
94.78995	0.0
96.96016	0.0
107.01371	0.0
111.00887	0.1
117.03482	0.2
119.01375	0.2
125.02464	0.0
129.01967	0.1
132.02127	0.1
133.02913	0.3
135.00931	0.2
143.05043	0.1
145.06618	0.1
147.00911	0.2
149.02521	0.0
151.00369	0.1
152.06285	0.0
153.01932	0.1
155.05043	0.1
157.06601	0.2
159.04616	0.0
167.03568	0.1
167.05034	0.3
169.06581	0.9
171.04607	0.3
173.06059	0.7
175.00383	0.1
176.01146	0.2
180.05858	0.2
181.06581	0.5
182.03838	0.0
183.04443	0.1
185.06044	0.7
187.04089	0.0
189.05624	0.1
195.04514	0.9
195.06313	0.0
196.05287	0.6
197.04324	0.1
197.06108	1.6
199.04053	0.2
207.04449	0.0
208.05290	0.3
209.06097	0.5
211.04071	0.3
212.04816	0.3
212.06667	0.0
213.05597	1.9
214.06041	0.1
217.05127	0.6
223.04062	0.6
224.04793	1.7
225.05591	2.1
227.03319	0.0
239.03503	0.2
240.04309	2.2
241.05093	1.5
251.03554	0.0
252.04330	0.4
253.05087	41.8
254.05423	1.3
268.03851	0.8
269.04578	100.0
270.04901	2.8
283.06207	0.2
397.09366	0.1
436.10095	0.0
473.10922	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	1019.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	2.8
71.05020	1.3
72.99311	1.5
73.02953	1.1
74.39581	0.2
81.03471	11.3
83.01399	14.0
84.02170	3.0
85.02962	96.6
85.62984	0.3
86.03284	0.5
87.00885	1.1
89.00323	2.4
91.01888	0.6
92.11712	0.5
93.03451	0.4
95.01382	1.7
97.02923	0.5
99.00894	1.3
99.04523	20.4
101.02454	1.0
104.80979	0.3
106.00603	3.3
109.02997	0.6
111.00887	36.4
113.02473	1.0
117.03452	0.3
119.05045	0.3
121.02954	42.7
122.03309	0.5
123.00874	7.9
125.02439	0.5
127.00370	1.9
127.04008	29.4
129.01938	35.5
130.11179	0.3
136.21381	0.3
136.98891	0.9
137.02458	1.5
138.03232	9.1
139.00377	4.9
139.04019	1.4
147.03008	6.6
147.04514	1.1
149.02452	23.3
152.01152	0.6
153.01955	1.2
153.05583	36.5
154.02831	0.4
154.05956	0.4
154.99872	2.1
161.02354	0.4
163.04037	0.5
164.04796	16.2
166.02696	0.4
166.99873	6.5
167.03516	0.4
171.03000	17.9
173.00903	3.4
175.00394	0.5
179.03468	0.5
179.07112	1.6
181.01404	0.5
181.05083	0.4
182.02226	19.8
189.01987	0.5
189.04066	4.9
190.02733	2.3
191.01981	3.1
191.03499	0.6
193.01456	1.5
193.05092	0.6
196.03796	1.6
197.04573	100.0
198.04909	1.4
204.04240	0.3
205.05118	3.5
207.03168	0.5
208.03828	3.4
215.02037	5.7
217.01564	0.5
222.05357	3.4
223.06151	25.0
233.03038	15.2
237.07700	3.5
247.09760	0.3
250.04887	1.1
251.04128	1.2
253.05063	1.6
264.84613	0.3
265.07190	12.9
267.07059	0.3
269.04620	0.5
291.05655	0.3
291.08820	2.2
309.06186	3.3
327.07172	3.6
335.07593	0.4
351.21698	0.5
353.05194	4.4
369.08289	5.9
371.06210	11.9
372.05621	0.3
381.19156	0.4
395.09894	1.5
413.07254	7.0
416.39536	0.3
431.08350	16.9
432.08231	0.5
439.08905	1.4
457.09857	1.3
577.12097	0.3
637.14136	1.2
828.07343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.1
74.22693	0.1
81.03458	0.1
83.01379	6.4
85.02944	0.8
93.03442	4.7
107.01382	17.2
108.99319	0.2
109.02949	0.2
111.00909	0.2
117.02678	0.1
117.03450	1.0
119.05009	34.6
120.05343	0.5
121.02940	0.8
123.04506	0.2
124.24474	0.1
125.02428	4.0
129.01912	0.2
133.02942	0.6
134.03766	0.2
137.02444	0.4
142.25873	0.1
143.05008	1.1
145.02946	4.9
149.02437	0.8
151.00363	74.9
152.00688	0.9
153.01851	0.1
157.06549	0.2
161.02402	0.2
161.06062	1.2
164.01144	0.2
165.01918	6.4
165.03261	0.2
167.03583	0.8
167.04828	0.2
169.01413	7.7
173.00993	0.1
177.01927	5.0
181.06606	0.2
184.05331	0.2
185.06053	2.9
187.04021	2.2
193.01405	0.7
193.05061	0.1
199.07675	0.5
203.07283	0.2
207.03020	0.1
225.05489	0.1
227.07127	3.5
229.05006	0.4
233.96779	0.1
241.05060	0.2
253.05057	2.0
267.06833	0.1
269.04465	0.9
271.06128	100.0
272.06473	2.4
283.06030	0.4
313.06711	0.2
348.66464	0.1
355.06705	4.3
385.14874	0.2
405.32269	0.1
433.11462	1.1
475.12488	54.8
476.12753	2.0
519.11243	1.5
791.75970	0.1
879.82892	0.1
943.39093	0.1
966.49969	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	1021.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	2.9
73.02950	1.3
80.50256	0.1
85.02943	2.2
87.00858	0.2
89.02435	5.3
90.02757	0.6
91.01882	21.3
92.02190	0.2
93.03414	0.3
93.05954	0.1
95.01363	0.3
99.00867	4.8
99.04507	0.4
100.01164	0.7
101.02416	1.3
107.01392	0.7
108.02200	0.2
111.00854	0.2
113.02434	2.8
114.02806	0.3
119.05009	72.4
120.05369	1.4
121.02969	0.2
122.57130	0.2
125.02395	0.2
130.08719	0.3
131.03502	0.8
132.02122	0.2
132.03770	0.2
133.02953	2.2
135.00871	39.1
136.01181	0.6
141.89647	0.2
145.02971	0.7
148.01649	0.9
149.02495	0.8
149.04526	4.3
150.04868	0.7
153.01930	51.9
154.02292	0.7
157.02895	0.6
158.03366	0.2
159.04489	0.9
161.02460	0.3
161.04556	0.7
169.06555	0.2
170.23853	0.2
180.00656	0.3
180.05763	0.6
181.06610	1.2
182.06943	0.3
183.04460	0.7
187.11238	0.2
191.05641	1.6
192.05949	0.3
195.04622	0.2
196.05225	0.2
197.06039	1.0
199.03970	0.2
201.05650	1.1
202.05940	0.3
208.05362	0.2
209.06108	0.2
211.07838	0.2
213.05643	0.9
224.04771	1.0
225.05522	1.2
226.05891	0.8
227.03633	0.2
233.06677	2.0
234.07001	0.4
240.04433	0.2
253.05144	1.6
254.05447	1.0
255.06642	100.0
256.06989	3.0
267.07175	1.0
268.03745	2.0
269.04562	82.7
270.04892	25.6
270.07956	0.4
271.05145	7.3
291.06699	0.2
293.08813	1.1
294.09067	0.3
297.07813	0.2
311.05811	0.3
311.09784	0.2
335.05789	0.3
399.10791	0.2
413.08820	0.3
414.09393	0.2
417.12280	0.2
459.13016	56.8
460.13458	2.9
502.26373	0.2
517.19226	1.7
785.41211	0.2
926.70776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	16.0
72.99305	1.9
73.02950	5.4
75.00872	8.8
81.03439	0.3
83.01389	2.3
85.02952	12.0
86.00089	1.4
87.00347	0.2
87.00871	6.3
87.04514	2.5
89.02437	4.4
95.01379	2.6
97.02316	0.1
97.02949	5.8
99.00880	9.7
99.04475	0.4
101.02441	4.3
103.04008	1.8
107.01411	0.1
111.00904	0.2
112.01628	0.3
113.02448	8.8
115.00359	0.2
115.04014	3.9
119.03483	0.7
125.02435	9.5
127.04002	0.1
129.01930	0.1
131.03491	8.2
135.23512	0.1
139.00308	0.1
142.02809	0.2
143.03511	6.5
145.05096	1.3
150.40022	0.1
157.01466	0.9
163.06139	1.3
205.07207	2.9
247.08160	0.4
316.10626	0.1
439.35809	0.4
465.37372	0.2
542.95123	0.1
565.39038	1.6
567.40485	0.2
725.43188	0.3
833.50739	0.2
908.01239	0.1
921.52258	0.2
1003.53369	1.1
1021.53833	100.0
1022.53961	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	1023.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	3.0
71.05032	1.9
72.99299	1.9
73.02944	1.1
75.00860	0.3
78.73334	0.2
81.03453	14.7
81.55342	0.2
81.78763	0.3
83.01385	18.8
83.04996	0.4
83.23524	0.2
84.02149	2.7
85.02949	56.9
86.03288	0.5
87.00867	0.3
89.02452	0.6
91.01884	7.1
92.66235	0.2
93.03438	2.1
95.01362	0.4
97.02921	0.5
99.00877	1.5
99.04514	22.8
101.02463	1.3
108.02169	14.0
109.02949	1.6
111.00879	44.0
113.02431	1.3
119.03516	0.2
121.02947	52.3
122.03329	0.4
123.00925	2.2
123.04515	35.7
124.01648	1.8
125.02447	0.9
127.00367	0.4
127.04002	33.2
128.04320	0.3
129.01933	33.2
131.05006	1.0
133.06592	4.0
134.03679	0.4
135.04512	0.5
136.01653	0.5
137.02429	4.2
143.05020	0.3
147.03038	1.8
151.04019	0.5
152.01157	24.5
153.01765	0.3
154.99870	1.5
159.04587	0.3
161.06105	3.4
163.04030	0.3
164.04692	0.4
166.02730	1.5
167.03493	100.0
168.03830	1.2
171.02989	17.6
173.00871	0.6
174.03149	0.4
176.04770	0.6
176.72379	0.2
177.05441	0.2
179.10841	0.3
181.08778	0.3
189.04039	1.2
189.05579	5.6
191.13017	0.2
192.04259	3.3
193.05058	1.2
197.00975	0.5
197.04398	0.3
202.02672	0.2
205.04968	0.3
207.06621	5.0
215.01971	6.4
220.03870	0.5
233.02643	0.4
233.04546	1.1
235.03935	0.5
235.06151	12.1
251.05617	2.8
253.05022	2.1
257.04477	1.3
261.78198	0.3
269.04581	4.0
277.03452	0.3
279.05103	3.0
284.03204	0.5
293.06665	3.4
295.04483	1.0
297.06119	1.2
299.05609	1.0
300.05811	0.3
304.83725	0.3
323.04074	3.7
337.05643	2.2
339.07178	5.5
355.06601	1.5
375.45483	0.3
383.06250	4.3
401.08731	0.5
445.07590	1.6
461.23920	1.2
505.10126	2.3
978.72803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	3.6
71.05032	0.6
72.99308	1.2
73.02962	0.4
81.03461	9.5
83.01388	10.4
83.90624	0.2
84.01728	0.3
84.02170	3.0
85.02950	100.0
86.03281	0.5
87.00880	0.5
89.00325	1.2
89.02457	0.3
89.03961	1.0
92.11715	0.5
93.72798	0.2
95.01366	1.1
97.02937	1.4
99.00890	1.6
99.04517	12.9
101.02438	1.1
106.00597	0.9
108.02173	1.0
109.02953	1.3
109.16445	0.2
110.00089	0.3
111.00881	28.2
112.98801	0.4
113.02434	0.5
117.03478	3.5
121.02951	19.5
123.00874	5.6
123.04515	1.5
124.01664	0.3
125.02408	1.8
127.00379	1.8
127.04011	27.3
129.01939	26.2
132.02159	1.2
133.02937	0.5
134.03738	46.7
136.98796	1.3
137.02452	4.5
137.99599	0.9
138.03232	7.1
139.00377	7.7
139.04005	2.2
141.01865	0.3
147.03015	4.8
147.04164	0.3
147.04596	0.2
149.02458	0.9
149.06085	7.4
152.01109	0.5
153.02032	1.7
153.05582	22.0
153.99095	0.3
154.02654	0.5
154.06018	0.2
154.99869	1.8
155.10873	0.3
160.01668	7.3
161.02451	1.0
162.03188	0.5
163.03987	1.0
164.04808	0.8
166.02698	1.5
166.99884	2.3
167.03519	2.2
171.03024	11.0
173.00897	1.5
173.02287	0.3
173.06038	0.2
175.04013	12.5
176.04692	0.4
177.01967	0.3
177.05624	0.9
178.02724	7.2
179.03510	1.5
181.01512	0.5
181.05054	0.9
182.02225	9.1
189.01909	1.0
189.04028	1.6
190.02678	0.4
191.01984	0.8
191.03523	1.1
193.05078	57.3
194.05528	1.2
196.03809	2.9
197.04579	42.6
198.04866	0.4
202.06401	1.2
204.04265	0.4
205.05025	0.5
206.05742	0.9
207.03032	1.9
207.06451	0.3
215.02026	4.9
217.01448	0.8
217.05113	0.4
217.08769	1.7
218.05801	1.1
219.03177	0.3
219.06636	0.9
221.08087	1.0
222.05379	5.3
223.06146	1.4
232.03795	0.4
233.03006	2.5
233.08215	0.5
235.02525	0.2
235.06081	0.3
237.04077	0.4
237.07721	6.0
250.04819	2.2
251.05701	0.3
253.05034	1.3
261.07706	5.9
265.07202	21.2
266.07596	0.3
305.06699	0.3
309.06207	4.7
327.07190	3.4
349.05597	0.4
353.05099	1.5
365.08737	3.0
367.06741	1.0
369.08334	4.2
371.06387	2.5
409.07840	2.9
413.07373	2.3
427.08966	1.9
431.08255	2.3
503.11847	0.4
519.24615	0.3
547.10748	2.3
549.22076	0.2
563.26886	1.8
571.42603	0.3
607.13013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	17.7
72.01727	0.7
72.99300	1.5
73.02950	5.4
75.00452	0.4
75.00867	8.2
76.01189	0.2
81.03445	0.2
83.01383	1.9
83.83273	0.2
85.02950	15.2
86.00084	1.2
86.03280	0.2
87.00869	7.0
87.04501	2.7
89.02440	4.6
95.01375	2.3
96.12271	0.1
97.02946	1.8
99.00876	10.2
99.04504	0.4
101.02435	3.4
103.04007	1.5
111.00874	1.5
112.01655	0.9
112.98811	0.3
113.02450	12.3
114.02768	0.4
115.00377	0.3
115.04004	4.4
116.04340	0.2
119.03493	0.3
125.02447	2.6
129.01936	4.1
131.03499	7.9
132.03842	0.2
139.00371	0.2
143.03506	5.8
144.03815	0.2
145.05074	1.2
157.01443	0.7
163.06099	1.1
205.07201	3.2
369.62384	0.2
403.88211	0.2
549.36810	0.3
566.39020	0.4
569.38367	0.3
727.40979	0.4
881.55383	0.2
964.71124	0.2
992.12616	0.2
1005.51520	1.2
1022.54358	6.7
1023.52484	100.0
1024.52173	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	1023.518
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	23.0
72.99300	1.2
73.02950	2.9
75.00867	8.4
81.03444	0.2
83.01387	2.8
84.02168	0.2
85.02946	21.3
86.00084	0.7
86.03281	0.2
87.00869	4.0
89.02437	8.0
95.01373	3.2
97.02942	3.2
99.00871	11.4
101.02438	3.8
111.00862	0.3
112.01665	1.1
113.02444	14.4
115.00317	0.2
119.03489	0.2
125.02435	5.9
127.09541	0.2
131.03490	16.1
139.00345	1.1
142.02769	0.2
143.03503	0.3
149.04596	0.7
157.01422	0.9
191.05618	8.5
263.07361	0.2
369.15448	0.2
563.37622	0.3
583.40051	0.4
741.41632	0.3
923.50226	0.3
985.50323	2.0
986.49170	0.2
987.50696	1.3
1005.51398	1.2
1023.51794	100.0
1024.51453	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	1023.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00984	0.4
71.01383	16.0
72.99287	1.6
73.02942	4.7
75.00870	8.9
83.01402	2.2
85.02949	22.3
86.00097	1.6
87.00868	6.3
87.04523	2.0
89.02438	2.9
91.66469	0.2
95.01379	3.3
96.96016	0.4
96.99280	0.3
99.00880	13.0
101.02413	3.5
103.04018	0.5
111.00880	2.8
112.01659	1.5
112.98787	0.4
113.02455	17.9
115.00323	0.5
115.04023	2.1
121.92476	0.3
125.02440	0.2
128.79863	0.3
129.01938	7.3
131.03497	5.8
139.00348	0.5
141.01945	0.4
143.03505	4.3
145.05081	1.4
157.01440	1.1
161.46046	0.3
163.06084	1.0
164.46771	0.2
205.07133	2.2
247.08301	0.3
322.86606	0.3
569.38757	0.3
695.33380	0.3
829.60321	0.3
979.48999	2.5
1005.51062	1.6
1023.51740	100.0
1024.51599	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	1025.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	23.3
72.01723	0.4
72.99316	2.5
73.02949	8.1
75.00874	10.0
81.03451	0.4
83.01393	3.9
85.02952	22.8
86.00082	1.6
86.03291	0.3
87.00877	7.7
87.04525	2.0
89.02442	8.3
95.01392	4.7
97.02953	1.9
99.00880	14.5
100.01195	0.3
101.02443	11.7
103.04005	3.0
111.00870	1.0
112.01683	1.6
113.02455	18.0
114.02792	0.8
115.00399	0.3
115.03999	2.6
117.55003	0.2
119.03510	2.0
125.02425	2.8
126.02772	0.2
127.04015	0.4
127.32007	0.2
129.01955	0.2
131.03503	8.9
132.03845	0.3
139.00401	1.4
140.82967	0.2
141.23358	0.2
143.03520	6.9
145.05080	1.0
155.03545	0.2
157.01408	1.6
161.04541	1.7
163.06131	1.7
191.05656	1.7
200.42166	0.2
205.07176	3.6
231.05093	0.2
247.08247	0.2
375.26743	0.2
377.99622	0.2
391.30209	2.1
407.33163	3.0
423.33200	0.3
435.32712	1.0
455.35370	1.4
499.34091	0.3
587.80176	0.3
613.37775	0.9
877.49829	1.1
919.51129	0.3
939.49506	1.3
963.49762	1.4
967.50513	0.3
981.50708	100.0
982.51154	6.9
1024.52222	3.4
1025.52405	22.3
1026.52466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.6342
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63054	0.2
72.12769	0.3
73.29707	0.3
78.95430	0.4
78.95897	10.5
93.31747	0.3
106.86263	0.3
152.99614	1.8
161.76244	0.3
168.04318	3.3
224.06966	7.7
242.08031	1.3
255.23315	100.0
256.23679	1.8
333.88889	0.3
480.30991	59.9
481.31387	1.4
530.30334	4.4
707.77539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.6063
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	17.4
85.04028	0.8
96.96941	1.0
128.03523	2.4
139.47980	0.5
152.99591	33.5
157.06180	1.1
171.00635	1.3
209.11984	0.8
227.03320	3.5
246.03154	0.6
279.23322	100.0
280.23758	4.2
320.09113	1.1
507.27356	79.2
508.27710	3.0
1009.34436	0.7
1026.54565	1.3
1037.67004	0.7
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
71.01380	2.0
72.99301	0.4
73.02948	0.4
75.00875	0.7
81.03452	0.2
83.00922	0.2
83.01391	4.9
84.02169	2.0
85.02950	100.0
86.03271	0.6
87.00866	0.7
89.00333	0.4
99.00907	0.4
99.04527	0.7
101.02431	1.0
103.00384	0.6
106.00575	0.4
111.00880	11.9
111.01649	0.4
115.00352	0.2
121.02950	11.7
121.90881	0.2
123.00899	1.6
123.04491	1.1
125.02433	0.7
127.00389	0.7
127.03952	0.3
129.01938	45.2
130.02264	0.3
132.02151	0.3
135.04506	0.3
136.98837	0.2
137.02454	0.7
138.03246	2.0
139.00365	1.6
139.03963	0.7
145.01480	0.2
147.01822	0.2
147.03008	9.6
147.04497	1.3
149.02444	15.6
152.01158	0.3
153.01953	0.2
153.05573	9.3
154.99861	0.7
163.04033	0.9
164.04790	12.6
165.01933	0.2
165.05403	0.2
166.99867	1.3
167.03511	3.1
173.00905	12.4
175.00354	0.3
177.05602	0.2
179.03510	0.4
179.07161	1.6
181.01474	0.2
182.02208	4.0
190.02754	2.6
191.00293	0.3
191.01997	8.2
191.03647	0.5
193.01392	1.1
196.03717	0.8
197.04567	20.5
205.05070	3.3
208.03777	2.2
209.02974	1.5
211.06131	0.7
217.05014	0.2
222.05374	1.3
223.06142	17.7
224.06277	0.2
233.04544	0.3
237.07587	1.4
247.05443	0.2
265.07175	5.4
269.04587	1.0
270.04861	0.2
280.99051	0.2
291.08691	2.2
309.06140	0.7
323.62140	0.2
327.07260	9.7
353.05508	0.2
353.08914	2.1
371.06186	11.5
371.09698	0.5
389.02618	0.3
389.07333	6.5
397.07773	10.9
415.08807	4.6
595.13123	6.8
596.13818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	15.5
72.99297	1.5
73.02531	0.2
73.02940	6.5
75.00864	7.3
81.03445	0.5
83.01382	2.7
84.02169	0.2
85.02944	16.6
86.00085	1.2
87.00867	5.7
87.04501	1.4
89.02435	6.2
92.11692	0.4
95.01384	4.1
97.02935	0.9
99.00867	10.5
99.04510	0.4
100.01184	0.1
101.02430	9.9
103.04008	2.8
104.10194	0.1
109.02930	0.4
111.00848	0.6
112.01649	1.2
113.02438	12.9
115.00353	0.4
115.03997	2.8
119.03503	1.8
125.02427	1.2
127.04008	0.6
129.01897	0.1
131.03487	4.6
137.02438	0.1
139.00368	1.0
143.03496	5.3
145.05067	1.5
146.74377	0.1
155.03516	0.4
157.01355	1.1
161.04546	1.6
163.06129	2.0
170.60242	0.1
203.05827	0.1
205.07184	3.2
247.08220	0.4
307.10370	0.2
346.40558	0.1
359.27490	0.1
391.30173	0.4
407.33344	0.2
409.34637	0.1
425.07663	0.1
425.34570	0.2
437.34164	0.8
457.37009	1.1
501.35843	0.2
545.29663	0.1
571.40070	0.2
615.38708	0.7
633.39905	0.1
879.51227	1.3
923.50922	0.1
923.83453	0.1
941.51459	1.6
965.51233	1.1
983.52246	100.0
984.52496	7.9
1009.54999	0.2
1013.52423	0.4
1027.54639	4.9
1028.53406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5486
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	15.3
72.57513	0.7
72.99292	1.2
73.02950	4.5
75.00874	8.8
75.35180	0.5
79.54623	0.6
83.01373	2.3
85.02952	15.4
86.00069	0.8
87.00858	6.0
87.04504	3.6
89.02443	9.3
95.01370	3.9
99.00864	9.8
101.02439	12.1
103.03983	2.6
112.01633	0.9
113.02443	14.1
115.03989	2.9
119.03487	1.4
131.03488	4.8
132.16103	0.6
134.89528	0.7
139.00417	0.9
143.03534	6.6
145.05083	0.7
157.01422	0.9
161.04588	1.0
163.06166	2.6
205.07234	3.9
231.52168	0.6
244.88177	0.7
406.98431	0.6
462.22131	0.6
551.85449	0.8
571.28864	0.9
636.52216	0.7
967.52747	4.4
1009.53271	1.3
1027.54871	100.0
1028.55505	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	1027.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	17.8
72.99303	2.1
73.02948	4.5
74.46041	0.1
75.00871	8.8
78.95891	0.5
80.81240	0.1
81.03458	0.1
83.01392	1.7
84.02161	0.4
85.02950	16.0
86.00093	1.7
87.00872	8.6
87.04523	1.9
89.01879	0.2
89.02438	4.6
95.01376	2.8
97.02938	0.4
99.00878	10.4
99.04497	0.2
100.52248	0.1
101.02435	4.3
103.04005	1.4
110.85954	0.1
111.00845	0.2
112.01682	1.1
113.02450	12.0
115.00354	0.5
115.04007	3.0
116.92882	0.1
119.03516	0.5
119.31651	0.1
125.02448	0.4
127.03979	0.2
129.01967	0.2
131.03499	9.1
139.00359	0.6
143.02382	0.2
143.03506	6.3
145.05070	1.5
157.01448	0.8
163.06149	1.1
189.04208	0.1
205.07217	3.4
227.20193	0.4
247.08284	0.2
314.69992	0.1
391.29987	0.5
393.32443	0.1
407.33475	0.2
409.34955	0.1
425.25125	0.1
541.39276	0.1
548.48480	0.1
553.39215	0.7
573.41309	0.3
586.22827	0.1
702.63104	0.1
731.43890	0.7
921.94550	0.1
965.54773	0.2
1009.55145	1.0
1027.54895	100.0
1028.54785	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	1027.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	15.5
72.99306	1.1
73.02944	5.1
75.00870	10.8
76.79585	0.4
78.00787	0.4
81.30580	0.4
83.01372	2.3
85.02947	22.7
86.00087	1.0
87.00879	5.2
87.04496	1.9
89.02446	2.9
95.01385	2.8
96.95988	0.6
99.00871	11.5
99.01496	0.5
101.02443	3.6
103.04063	0.6
112.01607	0.6
113.02444	16.2
114.39529	0.4
115.03990	2.2
116.92799	0.4
131.03491	6.2
139.00262	0.6
143.03459	3.9
145.05048	0.6
157.01421	0.6
183.04871	0.4
205.07158	3.1
217.24704	0.4
313.24097	0.6
407.32901	0.7
435.63464	0.5
539.13043	0.6
608.07788	0.4
874.01764	0.6
968.56122	0.5
1009.54816	1.6
1027.54871	100.0
1028.54504	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	1028.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	0.3
71.02508	2.4
72.00904	1.4
73.04070	6.5
74.02473	6.0
80.53945	0.2
82.01712	0.5
82.02978	1.6
83.01384	0.4
83.02509	2.3
84.00903	2.1
84.19274	0.2
85.02956	0.6
85.04094	2.2
86.02497	0.3
86.46999	0.3
87.05649	3.4
89.02439	0.3
89.08056	0.2
92.11742	0.8
93.03444	2.4
95.02499	1.3
97.00428	0.6
97.04067	0.6
98.01215	1.0
99.02003	28.7
99.05648	1.4
100.00394	0.5
101.02440	0.4
101.03521	0.4
106.04229	0.3
107.05001	0.3
109.04089	1.6
109.07812	0.2
110.01231	0.9
110.02492	0.6
110.06129	0.3
111.02031	3.4
112.04018	0.3
112.05187	2.3
113.02442	0.3
113.02670	0.3
113.03580	8.0
113.07194	0.6
115.05132	0.6
115.08780	8.1
116.05069	13.5
117.03484	0.4
119.05031	34.1
124.03989	1.0
125.03572	3.0
125.07195	4.9
126.05609	1.1
127.05151	5.5
127.08778	1.5
128.03561	0.4
128.04648	2.1
129.03003	0.4
130.06209	6.9
131.03728	1.3
131.04614	7.1
132.04552	2.3
133.05333	1.5
134.03751	0.3
134.06128	6.7
135.05672	2.0
136.04012	0.6
137.03535	0.4
137.07208	6.7
138.05612	0.4
139.05144	1.1
139.08804	0.4
140.05994	0.3
140.07138	0.4
141.06717	11.0
142.06656	4.0
143.08293	1.3
144.04517	0.3
144.07793	3.3
145.02979	1.2
146.06137	1.4
149.07262	0.4
150.06757	0.3
151.05190	0.5
151.08801	0.4
151.68829	0.3
152.08290	1.2
153.06708	12.9
153.07945	0.4
154.06232	0.5
154.09940	1.8
155.03394	0.3
155.08260	5.6
156.04181	2.1
156.06898	1.4
157.02582	1.1
157.05313	1.3
157.07668	0.9
158.06113	1.6
159.09280	3.9
160.04083	1.4
162.05603	4.7
163.08820	1.0
165.06776	0.4
166.09895	0.6
167.03387	0.4
167.04691	1.1
167.08287	1.3
168.07762	0.3
168.11314	0.5
169.09819	0.3
170.05708	1.3
170.09360	23.3
172.04117	0.4
172.10924	4.1
173.07210	0.3
174.05647	1.5
175.08801	0.3
176.07176	0.4
177.06679	3.1
179.04620	5.4
179.08267	1.9
180.06645	1.2
180.07990	0.6
181.06271	0.3
181.09787	0.5
182.05835	0.3
182.09363	1.6
183.05624	0.3
184.07402	0.5
184.10895	2.4
185.07210	0.4
186.05528	1.4
186.12523	1.6
191.08234	1.7
192.07863	0.5
194.09389	1.0
196.10823	0.3
198.08871	6.0
198.10535	0.3
199.05115	0.3
200.10802	1.8
200.59676	0.2
201.06712	0.3
202.05145	9.0
203.04732	1.1
203.08296	16.2
205.06267	2.9
206.09357	1.7
207.07715	2.0
209.10486	0.3
210.08928	1.6
211.12077	2.6
212.10481	0.4
214.09872	0.5
216.11461	4.3
217.06213	2.7
219.07784	1.4
220.10970	0.6
224.10416	1.3
225.08705	0.3
227.11542	2.7
228.06705	0.3
229.13094	1.5
231.11537	0.4
233.09308	1.2
233.12997	0.5
234.08894	2.2
236.10350	0.5
241.13126	0.6
242.09380	2.6
243.14572	1.8
244.09906	1.6
245.09332	0.3
248.36758	0.3
250.12083	0.5
253.09804	0.6
253.12860	0.3
255.10971	2.1
255.14816	0.4
257.12939	0.9
259.10822	0.5
260.10428	10.2
263.11490	2.1
264.09946	0.5
265.13065	0.5
267.10962	1.1
269.12637	0.3
271.11993	1.1
272.13998	0.5
273.13672	5.2
276.13513	1.0
278.15213	0.6
281.12506	3.1
286.08566	1.8
286.11594	0.3
288.13538	1.2
290.15198	1.4
293.12698	1.8
294.10986	1.4
296.10355	0.3
299.11633	3.3
304.13181	1.4
311.11511	0.4
315.11368	0.4
315.14859	0.3
315.18246	1.1
316.12866	0.6
326.15182	0.4
329.16266	1.1
333.15735	4.3
334.14178	0.5
335.17340	1.1
336.15900	0.4
340.31821	0.3
343.10815	0.9
347.17480	0.4
361.15118	0.5
369.15509	1.1
370.14267	0.5
372.20377	5.3
373.15317	0.5
379.17807	1.8
382.18915	1.5
387.16818	7.6
392.17142	0.4
393.18042	0.6
394.18945	1.4
406.14075	0.3
423.16840	2.4
427.20889	0.4
429.22430	0.6
432.18155	0.3
436.16397	0.3
448.18497	2.3
450.19998	0.4
454.17422	0.3
478.24548	0.4
511.21872	0.3
520.21460	0.4
522.23773	2.6
548.21368	1.1
560.21881	0.4
577.24255	9.5
579.25574	1.1
621.26764	2.1
740.31067	4.3
744.29932	0.6
784.33197	3.3
948.39038	28.4
949.38452	1.3
992.41687	100.0
993.42114	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	1029.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99304	1.5
73.02965	0.6
74.66634	0.4
76.56524	0.3
81.03455	12.6
83.01388	17.7
83.05016	0.5
84.02164	3.7
85.02949	98.6
86.03269	1.2
87.00836	0.8
89.00323	3.5
91.01907	2.4
93.03449	0.5
95.01379	1.7
97.02908	1.3
99.00868	1.7
99.03867	0.7
99.04510	19.9
101.02400	0.4
106.00605	2.9
108.02152	0.6
109.02937	1.4
111.00877	40.1
112.01174	0.5
112.98788	0.4
114.11740	0.4
117.03459	0.5
119.05125	0.4
121.02948	52.5
122.03268	1.8
123.00882	9.9
123.04511	3.9
125.02400	0.8
127.00360	2.3
127.04008	25.6
129.01930	37.5
130.02322	0.5
132.02177	0.8
134.03745	5.0
136.98772	2.1
137.02425	1.9
138.03221	9.0
139.00371	5.7
139.03981	1.7
147.02998	5.8
147.04507	1.9
149.02443	26.1
149.06020	0.6
150.02878	0.6
151.53773	0.4
152.01125	2.6
153.02011	1.0
153.05574	39.1
153.93835	0.3
154.02753	0.4
154.05875	0.8
154.99884	1.8
155.03491	0.3
160.01654	0.7
161.02432	0.5
163.04019	3.0
164.04793	18.8
165.01884	0.6
165.05128	0.4
166.99857	7.7
167.03493	11.9
169.05051	0.7
171.02989	14.7
173.00929	5.2
175.00349	0.7
175.02617	0.4
175.03964	2.7
176.04869	0.4
177.01932	0.7
178.02687	0.7
179.03423	0.6
179.07185	3.1
181.01445	0.5
182.02211	25.2
183.02521	0.5
189.02199	0.4
189.04060	1.8
190.02737	3.7
191.01970	2.8
191.03542	0.5
193.01483	3.5
193.05086	4.8
194.05911	0.5
196.03822	1.4
197.00868	2.2
197.04568	100.0
198.04846	3.2
199.05132	0.4
204.04346	0.5
205.05095	6.1
207.03053	0.6
208.03813	7.4
215.01955	5.5
218.05737	0.6
222.05391	3.3
223.06143	40.0
224.06427	1.6
231.70442	0.4
233.02975	2.2
233.08250	0.8
235.06152	0.7
237.07693	4.2
250.04837	0.9
255.02885	0.4
261.07608	0.8
265.07193	13.1
266.07654	0.6
284.03177	0.7
291.08795	3.5
305.06732	0.5
309.06216	2.9
327.07269	4.8
353.05127	3.1
353.08847	1.1
369.08499	3.1
371.06186	10.1
389.07288	2.0
395.09641	1.9
397.07733	2.0
413.07379	3.1
415.08914	0.6
431.08176	1.8
439.08527	0.6
457.09818	0.8
577.11823	0.7
593.15497	0.4
594.14429	0.4
595.13257	2.4
637.13824	0.5
968.61792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99305	26.7
73.02940	3.6
75.00859	12.1
83.01392	4.3
85.02959	32.4
87.00864	9.7
89.02435	12.1
95.01384	9.6
95.27695	1.9
99.00867	29.7
101.02441	15.3
110.57959	2.1
113.02452	43.8
115.00343	2.5
117.86168	1.9
119.03529	2.7
121.02950	5.0
131.03484	4.3
131.11972	2.0
133.01428	2.5
143.03520	4.1
151.49438	2.3
157.01375	2.9
159.02788	2.2
161.04732	2.8
205.07191	2.5
207.10667	2.5
253.05072	10.4
269.04446	2.5
321.08282	3.4
402.84268	2.2
497.11072	7.7
811.45404	15.4
812.45154	3.0
835.84314	2.9
969.47351	43.1
971.48688	2.5
1029.49304	100.0
1030.50208	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	1029.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99300	3.8
73.02946	6.3
75.00880	9.8
83.01398	1.2
85.02959	17.9
86.00073	0.8
86.14851	0.5
87.00879	5.7
87.04514	1.4
88.98807	11.5
89.02448	7.8
95.01388	3.3
99.00880	12.1
101.02440	7.4
103.04006	2.3
112.01656	0.8
113.02460	15.1
115.04006	3.7
119.03443	1.1
130.13835	0.5
130.69183	0.6
131.03497	10.4
139.00357	0.9
143.03511	7.3
145.01440	0.6
145.05070	1.3
157.01396	0.8
159.03078	1.2
163.02449	3.4
163.06114	3.2
191.02060	3.0
204.30582	0.6
205.07188	7.1
242.39063	0.6
284.24445	0.6
352.61221	0.6
385.57654	0.6
661.27045	0.7
677.30383	1.3
689.30353	2.2
823.40210	1.6
879.47906	4.6
894.49957	1.1
909.48499	3.2
926.49249	1.0
939.49792	21.5
940.50079	3.1
941.49725	1.1
1029.52808	100.0
1030.53552	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	1030.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01697	0.4
72.66499	0.3
72.99297	1.6
73.02946	4.2
75.00871	7.9
75.47414	0.3
78.95899	0.6
83.01380	2.2
85.02946	15.6
86.00063	0.8
87.00868	5.7
87.04513	0.9
89.02442	8.3
95.01369	3.4
99.00871	9.1
101.02432	11.4
103.04018	2.6
103.31754	0.4
106.37448	0.3
112.01656	0.7
113.02448	14.2
114.39183	0.4
115.03974	1.9
118.93293	0.3
119.03474	2.4
125.02460	0.4
128.69832	0.5
128.98595	0.4
131.03477	5.0
139.00372	1.9
141.41382	0.4
143.03510	7.3
145.05057	0.9
157.01447	1.6
161.04559	1.9
163.06085	3.1
205.07133	5.0
281.24936	1.9
286.22043	0.4
509.29169	1.5
641.40527	0.8
967.52753	100.0
968.53229	8.2
969.53625	9.0
970.53674	20.4
984.06403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
72.98907	0.1
72.99307	0.8
73.02953	0.5
75.00875	0.5
83.01388	5.1
84.02170	2.1
85.02950	100.0
86.03276	0.7
87.00880	0.8
89.00326	0.3
91.01888	0.1
91.05493	0.1
93.03432	0.2
97.43668	0.1
99.00858	0.3
101.02443	0.9
103.00359	0.9
105.40543	0.1
106.00564	0.3
111.00883	11.9
115.00323	0.2
117.03491	0.2
119.05014	0.1
121.02956	9.1
123.00874	1.4
124.01663	0.2
125.02463	0.2
127.00370	0.6
129.01938	34.7
130.02325	0.2
134.03690	0.2
135.04498	0.5
136.98785	0.2
137.02452	0.6
138.03203	1.8
139.00371	2.1
139.04007	0.8
145.01450	0.6
147.01813	0.2
147.03004	10.7
147.04504	1.3
149.02448	15.2
151.04010	0.3
152.01186	0.2
153.01930	0.2
153.05583	7.0
154.99849	0.3
162.03149	0.2
163.04015	0.8
164.04799	12.8
165.05336	0.2
166.99834	0.9
167.03622	0.1
173.00909	12.8
175.00443	0.2
177.01939	0.2
177.05615	0.1
178.02646	0.1
179.03487	0.6
179.07117	1.8
181.01402	0.5
181.05075	0.2
182.02214	3.0
189.01891	0.2
190.02695	1.6
191.01984	7.8
191.03528	0.9
193.01419	0.7
193.05054	0.3
196.03804	0.8
197.04567	14.3
198.04794	0.2
205.05099	2.0
206.05907	0.2
207.02989	0.5
208.03752	1.5
209.02989	1.7
211.06085	0.7
222.05339	1.2
223.06142	16.6
224.06374	0.2
232.03766	0.2
233.04478	0.2
237.07727	1.5
239.05496	0.2
248.06854	0.1
250.04834	0.7
265.07196	4.4
291.08850	1.5
309.06198	0.5
315.08640	0.2
327.07260	11.3
328.07620	0.2
341.43198	0.1
353.05038	0.4
353.08832	1.6
371.06223	9.7
372.06210	0.1
389.07339	6.0
397.07809	15.6
398.07968	0.5
415.08884	4.3
425.96231	0.1
595.13196	7.4
596.13391	0.2
636.25427	0.1
735.90314	0.2
747.61230	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99337	1.2
73.02948	1.9
75.00876	7.5
85.02947	12.1
87.00854	4.3
87.04538	1.3
88.98801	88.6
89.02438	6.2
92.95076	0.9
95.01353	1.7
98.00075	1.0
99.00865	6.4
101.02454	10.7
103.04015	1.5
113.02463	12.1
116.92852	1.5
119.03463	2.2
131.03514	4.4
139.00357	1.3
143.03506	6.1
163.06064	1.2
205.07149	2.6
210.26610	1.1
323.22131	1.1
844.91235	1.2
941.51251	100.0
942.52032	9.1
943.52020	8.4
971.47723	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	1033.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02936	0.0
83.01341	0.0
91.01852	0.4
91.30467	0.0
108.98175	0.0
117.03442	0.1
125.02445	0.0
132.02101	0.3
133.02916	0.5
135.00893	0.3
146.46791	0.0
147.00906	0.1
153.01947	0.2
167.04935	0.0
169.06601	0.2
180.05832	0.1
181.06604	0.2
182.03819	0.0
183.04547	0.1
187.03996	0.2
195.04498	0.2
196.03680	0.1
196.05307	1.3
197.06099	0.5
208.05252	0.7
209.06108	1.1
210.03264	0.1
211.04016	0.5
212.04785	0.2
221.06096	0.1
223.03983	0.6
224.04793	1.5
225.05562	0.8
227.07237	0.0
236.04677	0.0
237.05547	0.5
239.03505	0.8
240.04309	8.8
241.04784	0.2
244.69574	0.0
251.03445	0.1
252.04333	2.0
253.05089	100.0
254.05411	1.9
255.03059	0.3
255.06482	0.1
265.05057	0.1
267.03003	0.9
267.06607	0.2
268.03799	28.0
269.04156	0.5
275.07101	0.2
281.04626	0.3
282.05316	1.4
283.06149	32.8
284.06494	0.7
290.05832	0.1
293.04556	0.4
295.06146	1.4
296.03149	0.1
296.06580	0.0
305.08109	0.1
319.06363	0.1
325.03513	0.1
325.07205	1.3
349.07138	0.1
367.08432	0.0
457.11450	0.1
487.12494	0.1
501.19080	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02945	0.6
83.01383	0.4
85.02946	1.1
89.02436	0.9
91.01864	0.2
94.88467	0.1
99.04498	0.6
101.02433	1.6
111.00884	0.1
113.02420	0.6
113.06081	0.1
117.03503	0.1
119.03484	0.4
121.02958	0.1
123.04507	0.1
125.02427	0.1
126.83521	0.1
129.01956	0.1
132.02174	0.2
133.02966	0.5
135.00876	0.4
147.00841	0.1
149.02467	0.1
149.04515	0.1
153.01959	0.4
161.04579	0.1
163.11295	1.0
167.03534	0.1
169.06540	0.1
180.05867	0.1
181.06581	0.1
183.04343	0.1
187.03951	0.2
195.04488	0.2
196.05280	1.2
197.04523	0.2
197.06126	0.5
207.10263	2.1
208.05304	0.5
209.06100	1.0
211.04022	0.5
212.04771	0.2
222.88110	0.1
223.04019	0.8
224.04787	1.4
225.05568	0.9
239.03542	0.8
240.04294	9.7
241.04646	0.1
252.04317	2.2
253.05080	100.0
254.05386	2.5
255.03033	0.3
267.02985	1.1
268.03784	32.4
269.04398	1.8
282.05371	1.5
283.06134	38.2
284.06421	0.9
325.07294	0.2
369.15500	0.4
387.16629	6.4
397.09097	0.1
399.22391	0.1
427.10495	0.4
429.17703	3.0
457.11520	0.5
469.20828	0.6
487.12247	0.6
531.20850	8.9
533.34045	0.1
614.05182	0.1
897.38892	0.1
907.29590	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	1035.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	0.1
89.00323	0.1
91.01881	0.3
93.03472	0.0
107.01397	0.8
117.03454	0.1
121.02937	0.0
123.04510	0.1
132.02167	0.4
133.02954	2.1
135.00891	0.2
135.04501	0.3
149.02455	0.0
151.00389	0.2
153.01935	0.1
154.04279	0.0
155.04951	0.1
156.05818	0.1
157.02951	0.4
157.06587	0.1
158.03680	0.0
159.04526	0.8
161.02443	0.2
167.05078	0.0
168.05884	0.0
169.06596	0.5
171.04498	0.1
173.06055	0.1
176.01088	0.1
179.04962	0.0
180.05782	0.5
181.06610	1.2
182.03850	0.1
183.04518	0.7
195.04575	0.1
196.05273	0.4
197.06131	0.6
199.04112	0.4
201.05620	1.1
209.06120	0.3
211.04054	0.2
212.04768	0.0
213.05608	0.4
223.04060	0.2
224.04820	1.1
225.05612	1.1
226.02672	0.0
227.03467	0.4
237.05519	0.1
239.03514	0.5
240.04341	0.6
241.05103	0.4
253.05136	0.6
265.05096	0.1
267.03036	0.5
268.03812	7.2
269.04587	100.0
270.04926	1.3
271.06265	0.2
279.06555	0.1
281.04694	0.1
282.05383	0.1
283.06201	0.3
291.06735	0.7
311.05652	5.0
335.05630	0.5
353.06766	0.4
359.81229	0.0
413.08798	0.1
473.10901	0.8
946.64026	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02933	3.0
77.88908	0.5
82.08863	0.4
83.01389	1.8
85.02939	5.8
86.00050	0.6
89.02435	3.6
92.11686	1.5
92.58214	0.4
99.00869	0.5
99.04507	4.4
101.02437	10.5
111.00849	0.6
113.02435	4.1
119.03489	1.9
125.02463	0.5
129.01953	0.5
133.34351	0.5
135.00890	0.6
146.03519	0.6
149.02478	0.6
149.09691	0.7
151.00327	0.7
161.04556	2.4
204.28969	0.5
208.05347	0.6
209.06148	0.7
209.11835	0.8
212.04504	0.6
217.05128	0.9
224.04729	1.0
227.12946	0.9
239.03519	0.5
240.04295	4.7
241.04694	2.7
242.04927	0.6
252.04341	2.4
253.05078	100.0
254.05411	28.3
255.05595	7.8
257.04642	0.6
268.00891	0.8
268.03778	12.0
269.04175	8.3
270.04492	2.7
283.06149	10.9
284.03256	4.7
284.06494	6.6
285.04041	26.5
285.06744	2.6
286.04391	2.1
327.05276	3.7
329.16144	2.8
371.17160	6.2
389.18228	67.9
390.18536	1.9
431.19293	26.5
432.19586	0.7
458.37216	0.5
471.22412	4.8
489.10446	3.3
533.22479	92.6
534.23071	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	1037.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	1.3
73.02942	1.0
73.37635	0.1
75.00883	0.3
81.03462	3.2
83.01392	8.1
83.01897	0.3
84.02173	2.5
85.02953	100.0
86.03284	0.7
87.00869	1.0
89.00335	0.2
91.01878	1.5
93.03445	1.3
97.02968	0.3
99.00889	0.6
99.04523	5.8
101.02454	0.9
103.00382	0.7
106.00616	0.2
106.04233	0.1
108.02180	1.9
109.02976	0.6
111.00888	19.0
117.03455	1.2
119.05010	2.1
121.02956	28.7
122.03288	0.3
123.00893	2.5
123.04527	7.1
124.01620	0.6
125.02457	1.5
127.00333	0.7
127.04015	10.2
129.01945	30.0
131.05022	0.6
133.02963	0.3
133.06572	1.4
134.03738	10.1
135.04523	0.3
136.98793	0.3
137.02422	1.5
137.99596	0.2
138.03229	2.7
139.00372	3.4
139.04033	0.8
145.01512	0.2
147.03009	9.0
147.04321	0.3
147.04549	0.3
149.02415	1.1
149.06082	1.8
151.00429	0.6
151.03973	0.3
152.01190	1.8
153.01933	0.3
153.05573	7.1
154.99896	1.0
155.03497	0.2
159.04526	0.3
160.01671	3.2
161.02458	0.7
161.06071	2.0
162.03271	0.2
163.07733	0.2
164.04782	1.2
166.02737	0.7
166.99829	1.1
167.03499	16.7
171.02997	5.3
173.00923	9.3
173.06145	0.3
175.03998	5.3
176.04785	0.3
177.01932	0.2
177.05594	0.4
178.02730	1.4
179.03535	0.3
181.05171	0.3
182.02226	3.2
187.04077	0.2
189.02060	0.3
189.04025	0.3
189.05573	3.0
191.02002	6.6
191.03493	0.4
191.07117	0.4
192.04315	1.0
193.05074	10.2
194.05734	0.2
196.03712	1.3
197.04575	20.2
201.05634	0.2
202.02798	0.2
204.04263	0.2
205.04962	0.2
207.03064	0.7
207.06670	1.3
209.02988	1.4
209.06158	0.2
211.04189	0.2
215.01976	2.8
217.01579	0.3
218.05936	0.3
219.06610	0.2
220.03813	0.3
221.04604	0.3
221.08173	0.2
222.05341	2.0
223.06134	1.3
223.11378	0.2
228.04367	0.2
232.03758	0.2
233.04759	0.3
233.08244	0.3
235.02411	0.2
235.06117	2.6
237.07672	1.7
250.04860	0.7
251.05614	0.7
253.05086	9.0
254.05403	1.2
255.05574	0.2
261.07663	1.8
265.07166	7.4
265.09796	0.3
267.10281	0.7
279.05191	0.7
293.06711	1.0
295.04715	0.7
295.09802	3.2
297.06174	3.5
307.09769	0.7
309.06149	2.4
323.07718	2.3
325.10809	1.1
327.07187	1.6
337.05865	1.2
339.08890	3.5
341.05170	13.1
353.05307	0.3
355.06464	0.2
359.06274	2.9
367.06702	4.9
369.08401	2.2
371.06055	1.3
383.06320	0.2
385.07739	1.9
389.07263	1.4
391.19363	0.2
397.07870	1.6
409.08014	0.6
409.13400	0.2
413.07321	0.6
415.09225	0.3
427.08575	0.2
431.09875	0.3
459.13049	1.8
475.08994	0.8
491.21542	0.2
517.09985	0.3
535.10950	4.5
595.13599	0.2
893.08966	0.2
1054.82214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99292	0.5
73.02938	0.4
74.68677	0.2
75.00871	0.5
81.03443	0.4
83.01379	5.6
84.02152	2.3
85.02947	100.0
86.03243	0.4
87.00880	1.6
87.77717	0.3
89.02435	0.4
89.03941	0.3
89.07621	0.2
91.01871	2.6
93.03468	0.4
95.01366	0.5
99.00865	0.6
99.04508	1.3
101.02425	1.6
103.00356	1.2
107.01394	0.3
108.02190	2.5
111.00873	14.1
111.70333	0.2
113.02438	0.5
115.00364	0.3
117.03445	1.3
121.02936	3.5
123.00880	1.5
123.04509	13.3
123.27988	0.2
124.01630	0.6
125.02457	0.5
127.04007	1.6
129.01935	25.7
132.02238	0.3
133.02969	1.3
133.06578	0.3
134.03743	11.8
135.00867	0.6
135.04514	0.4
137.02440	0.4
138.03224	0.3
139.00432	0.4
145.01395	0.4
147.03001	10.8
149.02403	0.3
149.06085	2.7
150.03006	0.3
151.00363	0.3
152.01173	1.9
153.01938	0.6
153.05573	1.1
160.01668	3.7
161.02382	0.3
161.06087	0.3
166.02716	0.5
167.03493	28.9
168.03856	0.4
171.03020	1.1
173.00906	10.2
175.03993	6.2
178.02727	1.5
181.05020	0.4
182.02171	1.0
184.73242	0.3
185.06096	0.4
189.05722	0.3
191.01973	7.0
192.04269	0.5
193.05055	10.3
196.05316	0.6
197.04549	3.0
197.06094	0.4
198.06393	0.3
207.06660	1.2
208.05373	0.6
209.03024	1.0
209.05879	0.4
211.03975	0.6
213.05557	0.5
217.93077	0.3
218.05849	0.6
224.04703	1.6
224.08888	0.3
225.05441	1.6
227.03479	0.3
229.05086	0.5
233.08218	0.4
235.06148	3.8
237.05618	0.3
239.03542	0.6
240.04272	5.5
241.04803	6.9
242.02686	0.4
242.04787	2.8
242.23259	0.3
252.04184	1.9
253.05074	92.8
254.05414	60.5
255.05634	24.7
256.05914	6.4
257.04535	1.6
258.04922	0.4
259.05731	0.4
261.07800	2.0
268.03796	14.9
269.04135	11.8
269.07123	0.3
270.04337	7.3
271.04526	1.9
282.05280	1.1
283.02954	0.3
283.06116	13.8
284.03235	4.9
284.06470	12.6
285.03998	32.7
285.06815	6.8
286.04364	17.2
286.07047	1.7
287.04581	6.2
287.07339	0.5
295.05981	1.3
297.06253	6.4
323.07748	3.2
325.07346	0.5
326.07455	0.3
327.04877	2.0
328.05344	1.3
329.05533	0.3
341.05176	25.3
359.06204	5.5
367.06750	5.5
385.07776	2.1
389.18228	1.0
390.18234	0.4
391.19690	0.4
431.19540	0.3
489.10376	1.9
490.10666	2.5
491.11441	2.2
533.22638	1.1
534.22455	1.4
535.11145	7.1
535.19470	0.4
535.23334	1.2
659.33905	0.4
1009.94452	0.3
1037.33130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
74.84653	0.2
75.00864	0.3
79.95735	7.2
83.01388	0.2
85.02943	0.4
89.53118	0.2
92.12398	0.8
96.96004	100.0
99.00895	0.3
101.02444	0.3
113.02462	0.8
135.80452	0.2
207.00514	0.2
908.08966	0.2
939.49707	5.4
940.49316	0.4
1037.46570	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	1037.533
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	1.6
73.02943	4.6
75.00871	8.4
75.01225	0.1
78.32384	0.1
81.03453	0.2
83.01383	1.8
84.02172	0.2
85.02947	15.7
86.00083	1.5
87.00871	7.6
87.04507	2.2
89.02443	5.2
95.01381	2.7
97.02946	3.7
99.00872	10.1
99.04533	0.5
101.02431	4.1
103.04017	1.8
111.00871	0.4
112.01649	0.9
113.02447	12.9
115.00356	0.4
115.03995	2.8
119.03503	0.7
125.02430	6.6
127.04038	0.2
129.01923	0.4
131.03496	8.9
139.00369	0.5
141.01961	0.1
142.02660	0.2
143.03502	7.3
145.05063	1.2
157.01428	1.0
163.06142	1.2
184.29761	0.1
205.07195	3.1
457.76770	0.1
463.35928	0.2
467.35040	0.1
472.82208	0.1
551.37341	0.1
563.37494	0.2
583.40045	0.4
741.42383	0.4
893.47485	0.2
937.50854	0.4
1019.52313	0.9
1037.53333	100.0
1038.53174	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	1037.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	1.7
72.99686	0.1
73.02943	5.0
75.00868	8.1
76.01225	0.1
81.03442	0.2
83.01387	2.1
84.02174	0.1
85.02947	15.2
86.00089	1.4
87.00869	6.9
87.04511	2.6
89.02437	5.0
95.01382	2.6
97.02940	3.1
99.00873	9.9
99.04489	0.2
101.02430	3.3
103.04002	1.6
111.00887	0.2
112.01677	1.0
113.02443	12.2
115.00385	0.6
115.03999	3.7
115.04779	0.2
119.03466	0.2
125.02428	6.5
127.00433	0.1
129.01956	0.2
131.03491	8.9
139.00401	0.5
143.03499	6.0
145.05081	1.5
153.10310	0.1
157.01447	1.0
163.06105	1.2
168.40335	0.1
185.94070	0.1
205.07181	3.5
247.08241	0.2
463.36057	0.2
583.40381	0.4
627.40210	0.2
741.42139	0.2
849.50195	0.1
853.38422	0.1
937.52289	0.4
1019.51434	1.0
1037.53357	100.0
1038.53430	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	1037.5822
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	64.0
96.96954	5.2
150.98022	1.4
152.03917	0.4
152.99588	100.0
167.13231	0.3
171.00586	2.3
172.93835	0.3
255.23247	0.3
258.07532	0.3
279.23273	2.0
320.09204	0.4
328.16428	0.3
418.40842	0.4
433.23627	45.9
434.23849	1.6
595.36621	0.4
1037.53845	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	1039.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	0.9
73.02939	0.4
73.63665	0.1
75.00848	0.2
78.25023	0.2
81.03453	9.3
81.03933	0.3
83.01387	13.6
83.05029	0.6
84.02159	3.0
85.02949	100.0
86.03248	0.7
87.00875	0.7
88.33131	0.1
88.98734	0.2
89.00320	0.8
89.03957	1.5
91.01903	0.6
93.03439	0.3
95.01357	0.9
97.02931	1.1
99.00878	1.0
99.04510	17.6
99.56227	0.2
101.02431	0.9
106.00589	1.0
106.04260	0.2
108.02171	0.8
109.02955	1.0
110.00098	0.4
111.00877	26.5
111.59599	0.2
112.98869	0.2
113.02428	0.3
115.00357	0.2
117.02654	0.3
117.03457	6.7
119.05024	0.3
121.02950	17.0
123.00866	4.7
123.04489	1.7
124.01659	0.6
125.02437	1.5
125.99509	0.3
127.00365	1.7
127.04004	43.1
128.04391	0.3
129.01933	27.4
132.02167	0.2
132.05162	0.2
133.02924	0.7
134.03735	78.6
135.04082	0.9
136.98801	1.1
137.02443	5.5
137.99593	0.7
138.03241	5.2
139.00372	7.0
139.03990	1.6
141.01904	0.3
147.01938	0.3
147.03012	6.1
147.04282	0.3
149.02446	4.1
149.06079	10.4
150.03296	0.3
152.01175	1.1
153.01941	1.0
153.05579	16.6
153.99092	0.2
154.02698	0.3
154.99869	2.6
155.03470	0.2
160.01700	2.4
161.02425	0.8
163.04044	1.0
164.04820	2.9
166.02716	1.1
166.99828	1.8
167.03505	2.9
171.03003	15.6
173.00922	1.2
173.02318	0.3
175.04007	5.5
176.04720	0.3
177.05684	0.4
178.02722	12.9
179.03468	1.1
179.07137	0.3
181.01447	0.6
181.05042	0.7
182.02229	7.1
189.01985	1.0
189.04047	2.2
191.02014	0.5
191.03493	0.8
192.04335	0.6
193.05074	99.3
194.05370	1.4
196.03813	2.6
197.00813	0.8
197.04575	32.7
198.04942	0.4
202.06317	0.2
204.04305	0.8
205.05038	0.3
206.05914	0.7
207.03049	1.4
207.06653	0.3
208.03760	0.8
215.02011	5.7
217.01466	0.9
217.08751	0.7
219.02934	0.2
219.06573	0.7
221.04269	0.2
221.08115	0.6
222.03482	0.3
222.05382	4.1
223.06154	6.2
232.03699	0.7
233.03014	3.5
233.08159	0.4
235.02464	0.8
235.06122	1.6
237.04077	0.3
237.07686	4.5
250.04858	1.7
251.05829	0.2
258.20746	0.2
261.07693	4.0
265.07193	18.2
269.04602	0.3
279.05225	0.3
280.42825	0.2
291.05118	0.3
297.06247	0.3
305.06656	0.4
309.06195	4.6
327.07285	4.0
329.13885	0.9
339.07239	0.3
349.05832	0.2
353.05072	1.5
365.08786	3.2
367.06677	1.2
369.08340	4.7
371.06244	2.0
384.26627	0.2
409.07797	4.1
413.07367	1.6
427.08969	1.6
431.08319	3.0
513.19897	0.3
547.10638	1.1
547.29529	0.2
607.12970	0.9
934.27472	0.2
1039.33142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99308	0.7
73.02953	0.9
75.00870	0.2
82.46405	0.2
83.01389	4.3
84.02159	1.9
85.02951	100.0
85.42273	0.1
86.03269	1.5
87.00858	0.8
89.00320	0.2
89.02435	0.2
89.03963	0.8
91.01888	0.3
99.00874	0.6
99.04498	0.2
101.02442	1.4
103.00369	0.7
108.02148	0.3
111.00880	11.8
113.02422	0.2
117.03471	1.9
121.02948	7.7
122.44834	0.1
123.00882	1.7
123.04517	0.8
125.02438	0.6
127.00340	0.2
127.03984	0.2
129.01930	38.8
130.02249	0.7
132.02139	0.2
133.02980	0.2
134.03731	20.0
135.04449	0.2
136.98782	0.2
137.02408	1.0
137.99573	0.2
138.03223	1.9
139.00371	1.4
139.04033	1.1
145.01427	0.3
147.03001	8.6
147.74187	0.1
148.03313	0.2
149.02470	1.1
149.06053	2.4
152.01175	0.2
153.05576	7.6
154.02809	0.2
154.05792	0.2
154.99852	0.3
155.08392	0.1
160.01665	1.6
161.02460	0.3
164.04767	0.9
165.01929	0.3
166.99817	0.9
167.03474	1.4
173.00906	10.9
174.01221	0.2
175.04021	3.5
176.04691	0.2
178.02707	1.7
180.55421	0.2
181.01422	0.2
182.02220	3.2
189.08965	0.2
190.02670	0.2
191.01970	6.7
191.03633	0.3
191.07133	0.2
193.05058	18.1
194.05428	0.4
196.03781	0.6
197.04565	15.3
198.04811	0.3
200.04674	0.2
207.02960	0.3
209.03021	1.2
211.06169	0.3
222.05353	1.0
223.06137	0.9
233.08380	0.2
235.06020	0.6
237.07649	1.0
261.07626	1.7
265.07178	4.0
297.05988	0.3
309.06076	0.7
323.07700	2.0
327.07257	6.8
328.07272	0.2
341.05161	0.6
353.05118	0.3
367.06708	10.1
368.07068	0.7
371.06207	8.6
372.06607	0.7
385.07776	3.8
386.08206	0.2
389.07260	4.2
397.07748	0.3
415.08627	0.2
429.17676	2.8
565.12018	6.5
566.12280	0.7
725.55023	0.2
732.16876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02956	0.4
75.00872	0.3
79.95729	6.3
83.01366	0.4
85.02965	1.2
87.00893	0.3
89.02449	0.4
96.96001	100.0
99.00849	0.3
101.02436	0.6
113.02449	1.2
150.13989	0.3
233.13599	0.3
254.36064	0.2
605.75470	0.3
941.51312	6.4
995.48779	0.9
1039.48877	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	1041.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99311	1.9
73.02946	5.3
75.00873	8.0
76.83745	0.2
83.01403	1.8
84.02136	0.2
85.02959	14.8
86.00102	1.2
87.00877	6.3
87.04530	1.4
89.02448	7.2
89.03004	0.2
95.01392	4.5
97.02974	0.4
99.00882	18.7
99.04525	0.3
101.02443	8.6
103.04013	2.8
111.00908	0.3
112.01666	1.1
113.02454	11.3
115.00365	0.4
115.04018	2.9
116.92870	1.9
119.03489	1.3
125.02409	0.8
127.04011	0.3
131.03497	5.4
139.00410	1.0
143.03496	5.5
145.05086	1.1
157.01447	1.0
161.04558	1.6
163.06177	1.8
205.07214	3.4
505.59698	0.2
537.35913	0.4
557.38556	0.3
715.41125	0.4
951.01770	0.3
979.52301	0.3
1023.51904	2.0
1040.53870	1.0
1041.52869	100.0
1042.53076	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	1043.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99297	1.2
73.02601	0.6
73.02935	5.3
74.64288	0.5
75.00884	8.2
83.01382	2.4
85.02949	19.0
86.00053	0.6
87.00867	6.8
87.04509	1.4
89.02441	8.3
95.01369	3.7
97.02934	0.7
99.00878	12.6
101.02431	10.9
103.03999	3.1
111.00881	1.2
112.01642	0.7
113.02456	16.9
115.04002	3.1
119.03489	2.4
129.01955	0.9
131.03493	6.7
139.00368	1.4
143.03488	6.4
145.05063	1.0
157.01419	2.3
161.04457	0.7
163.06125	2.3
205.07188	4.8
278.98730	0.6
983.52289	100.0
984.52875	11.1
987.47546	1.0
999.52313	0.9
1027.51550	0.9
1043.53735	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	1045.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99294	0.4
73.02929	0.2
75.00857	0.2
83.01385	4.6
84.02158	1.8
85.02949	100.0
86.03288	0.4
87.00878	0.5
95.01392	0.2
99.00883	0.3
101.02441	1.2
103.00385	1.0
106.00659	0.3
111.00876	11.3
115.00349	0.2
121.02953	9.8
123.00874	1.9
124.01689	0.3
125.02451	2.2
125.91563	0.2
126.02779	0.2
129.01933	39.5
130.02344	0.3
135.04527	0.2
137.02451	0.4
138.03223	1.6
139.00363	2.1
139.04041	0.4
145.01411	0.3
147.01823	0.2
147.03006	9.5
147.04517	1.0
149.02440	15.4
151.00412	0.3
151.04060	0.3
152.01118	0.3
153.01967	0.3
153.05574	9.5
163.03989	0.5
164.04788	11.4
165.01906	0.2
165.05669	0.2
166.53690	0.2
166.99886	1.1
167.03458	0.3
173.00905	12.8
175.00414	0.3
177.01924	0.2
178.99895	0.4
179.03598	0.5
179.07149	1.2
181.05020	0.2
182.02232	3.9
190.02750	2.0
191.01990	7.3
191.03525	0.6
193.01447	0.5
196.03757	0.4
197.04565	19.9
205.05052	3.2
207.02867	0.3
208.03821	2.1
209.03024	1.8
211.06172	0.4
221.08296	0.3
222.05408	1.0
223.06123	17.3
226.24185	0.2
237.07698	1.6
259.06149	2.0
265.07187	4.0
269.04526	2.2
287.05707	0.3
291.08752	2.0
309.06253	0.4
327.07248	8.8
335.07877	0.2
353.05081	0.4
353.08838	2.3
371.06238	11.8
372.06491	0.2
389.07318	6.0
397.07822	11.1
415.08844	3.7
449.11145	1.2
501.10510	0.3
595.13123	8.2
753.76251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99300	1.2
73.02941	2.5
75.00864	0.5
83.01398	0.8
84.02139	0.1
85.02531	0.1
85.02955	1.6
85.45051	0.1
87.00865	0.3
87.04484	0.1
89.02441	2.0
93.03426	0.8
95.01350	0.2
99.00866	0.5
101.02433	2.1
107.01376	1.4
108.02181	0.1
111.00877	0.2
112.72040	0.1
113.02437	1.4
119.03596	0.6
119.05009	2.8
121.02942	0.1
129.01910	0.1
131.03496	0.2
135.04564	0.1
141.07109	0.1
143.08667	0.2
145.10254	0.8
150.99133	0.2
151.00360	4.9
155.08679	1.4
156.05736	0.1
161.09700	0.2
164.01151	0.1
165.01918	0.1
167.03601	0.1
169.01399	0.4
171.08171	1.2
177.01903	0.9
181.10233	0.5
183.11778	8.2
184.12137	0.3
185.09718	0.1
185.13367	0.6
191.84906	0.1
197.09651	0.2
199.07651	0.5
199.11351	0.7
201.12827	1.4
203.07199	0.2
209.09766	0.2
211.11322	1.1
211.14925	3.2
213.13002	0.2
213.16479	2.8
223.11327	0.4
224.12131	0.8
225.12814	0.4
227.10789	7.6
227.14214	1.2
228.11174	0.3
229.15979	7.1
230.16319	0.3
231.17543	1.3
237.12863	0.4
239.14412	16.1
240.14792	0.7
241.12340	0.4
243.06654	0.8
245.11844	1.2
245.15488	0.2
253.16089	0.2
255.10393	0.2
255.13872	0.9
257.15479	16.4
258.15805	0.5
259.16980	0.7
269.15512	0.1
271.06122	11.1
271.09723	6.3
271.13022	0.3
271.16840	0.7
272.06464	0.4
272.10013	0.2
273.14984	0.7
275.16544	5.4
276.16800	0.2
281.15479	0.8
283.13409	4.2
287.16537	0.2
289.10898	0.6
289.14209	0.1
297.14926	0.1
299.13132	0.2
299.16495	0.7
301.14459	10.3
302.14957	0.2
303.15808	0.2
313.11002	0.1
317.13940	0.7
319.15463	2.2
325.14557	0.1
327.12427	3.5
343.15717	0.2
345.13440	11.1
346.13785	0.4
347.14786	0.1
363.14517	26.0
364.14911	0.9
369.13275	0.1
387.14587	1.0
405.15549	4.4
406.15765	0.2
437.21643	0.4
451.16290	0.1
465.17648	0.5
475.12509	9.8
476.12949	0.4
481.20816	1.3
507.18597	1.5
525.19812	100.0
526.20184	5.0
526.27838	0.1
527.20410	0.6
797.47101	0.6
943.49243	0.9
944.48975	0.1
1009.42767	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	1047.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99319	1.6
73.02950	40.3
75.00853	1.9
83.01382	12.2
83.04992	1.4
85.02949	15.8
87.00854	1.3
88.98800	1.6
89.02446	20.4
92.11739	3.5
95.01359	2.4
97.02942	1.4
97.87635	1.4
99.00865	8.3
101.01781	1.7
101.02439	50.2
113.02459	25.1
119.03471	8.3
123.08139	5.9
125.02422	2.7
131.03435	4.6
137.09676	1.4
149.04530	1.9
161.04630	9.6
163.11263	2.7
167.03514	1.3
169.06242	1.5
189.12846	6.1
193.12296	8.8
207.13940	12.1
211.13530	2.0
218.29822	1.4
268.03851	1.5
283.06168	1.7
313.00830	1.5
355.17578	7.0
373.18732	16.7
380.02960	1.6
415.19812	100.0
416.19980	2.4
443.54413	1.3
457.20761	1.7
519.24683	11.5
561.25671	67.9
564.58533	1.3
603.26740	1.7
684.71515	1.5
726.18146	1.4
767.93427	1.7
899.41797	2.2
917.43713	7.9
959.44604	7.2
987.46893	2.8
1046.54968	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	1048.5752
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	44.3
92.64698	0.1
94.50376	0.1
96.96958	11.2
134.98547	0.6
150.98029	0.9
152.99590	56.8
153.99942	0.2
171.00633	0.6
179.05591	0.1
179.66040	0.1
197.32039	0.1
215.93816	0.1
223.00130	2.5
237.22266	0.2
241.01205	32.3
242.01414	0.1
251.18901	0.1
255.23314	80.6
256.23642	1.6
259.02240	0.9
308.19095	0.1
315.04907	9.4
333.05841	0.4
391.22589	2.2
512.00629	0.1
522.80780	0.1
571.28937	100.0
572.29236	1.8
918.56085	0.1
1052.58813	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	1049.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99319	1.6
73.02946	3.9
75.00870	7.5
77.94123	0.1
80.06113	0.1
83.00924	0.1
83.01392	2.3
83.05085	0.1
84.02177	0.2
85.02951	14.5
86.00090	1.5
87.00871	5.9
87.04510	2.1
89.02442	4.9
92.41315	0.1
95.01384	2.4
97.02945	0.2
99.00877	13.4
99.04490	0.2
100.01224	0.2
101.02439	4.2
103.04002	1.6
111.00880	0.4
112.01672	1.3
113.02447	13.7
115.00376	0.6
115.04004	3.2
116.92236	0.1
116.95068	0.1
119.03499	0.7
125.02464	0.5
127.04015	0.2
129.01962	0.5
131.03494	7.9
139.00360	0.9
141.01970	0.6
143.03508	5.8
145.05061	1.1
149.04568	0.2
150.78711	0.1
157.01437	1.9
159.02991	0.1
163.06143	1.5
188.29984	0.1
205.07205	3.6
233.06618	0.1
359.27423	0.1
391.30182	0.6
403.30020	0.1
407.33444	0.1
409.34622	0.2
423.33154	0.1
437.34222	0.6
439.32169	0.1
455.35785	0.1
457.36734	0.6
463.36279	0.1
483.38339	0.5
501.36227	0.2
527.37921	0.2
559.40253	0.6
597.34009	0.1
599.35907	0.2
615.38916	0.2
659.38354	0.1
673.44031	0.2
717.42291	1.5
805.47467	0.4
911.50580	0.2
937.51660	0.8
941.50385	0.1
942.51526	0.1
951.53302	0.2
966.21338	0.1
969.50952	0.7
970.50708	0.6
971.50061	0.2
995.52850	0.6
1013.53375	100.0
1014.53601	7.3
1015.53296	0.9
1058.51367	0.2
1066.90942	0.1
1067.53625	0.2
1083.53333	0.9
1084.53906	1.0
1085.55811	1.2
1086.54053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.6793
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	11.8
79.92408	0.0
96.96958	0.2
101.62362	0.0
104.97421	0.1
122.98514	0.3
134.98494	0.1
152.99570	2.5
168.04298	3.0
194.05916	0.1
198.12701	0.1
224.06943	8.5
237.22260	0.2
242.07990	1.7
255.23302	100.0
256.23654	1.5
391.22083	0.1
406.34650	0.1
480.30969	61.6
481.31354	1.2
495.27246	0.5
554.34644	3.9
555.34735	0.1
893.97485	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	1051.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	0.2
81.91422	0.1
83.01382	6.1
85.02934	1.5
93.03456	5.0
107.01390	18.3
108.02171	0.2
108.99309	0.2
109.02951	0.4
111.00863	0.4
117.03487	1.0
119.05021	36.8
120.05357	0.5
121.02962	0.8
123.04544	0.4
125.02447	4.1
127.03989	0.2
129.01921	0.5
133.02957	0.5
134.03706	0.2
137.02448	0.7
143.04999	1.3
145.02960	4.7
149.01355	0.1
149.02426	0.8
151.00375	75.6
152.00664	0.8
157.06570	0.6
159.04439	0.1
161.06088	1.3
163.04091	0.2
164.01181	0.5
165.01933	6.3
167.03546	1.0
167.04851	0.1
169.01425	6.7
177.01939	5.8
183.08031	0.1
184.05290	0.2
185.06071	3.1
187.04013	3.0
193.01430	0.7
193.05060	0.2
196.00157	0.1
199.07689	0.7
203.07169	0.2
209.06047	0.2
223.06024	0.2
225.05624	0.1
227.07172	4.3
229.05032	0.6
240.04451	0.1
253.05075	1.2
267.06726	0.2
268.03796	0.2
269.04376	0.8
270.05234	0.1
271.06149	100.0
272.06467	2.3
283.06076	0.5
295.06216	0.2
313.06113	0.2
355.06744	4.1
355.11093	0.2
404.49545	0.1
414.32434	0.1
433.11316	1.2
475.12521	57.3
476.12766	2.0
510.81790	0.1
519.11499	1.5
659.82605	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	1051.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99284	0.9
73.02940	3.4
75.00865	7.3
83.01377	1.8
85.02950	13.9
85.87790	0.4
87.00855	5.2
87.04502	1.8
89.02432	6.6
92.12391	2.3
95.01370	2.8
97.30625	0.4
97.73466	0.4
99.00868	11.2
101.02439	9.1
103.03994	3.0
112.01623	0.6
113.02441	12.7
115.04001	2.3
119.03488	1.0
131.03490	4.5
133.86038	0.5
139.00365	0.8
142.79521	0.5
143.03476	5.9
145.05089	0.9
157.01424	0.5
163.06096	2.6
180.28485	0.6
205.07153	4.5
210.05119	0.5
313.94354	0.4
441.34058	1.7
454.49969	0.5
478.49136	0.5
488.21994	0.6
489.35754	0.9
1013.46594	0.6
1015.51215	100.0
1016.51495	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	1051.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
72.98927	0.1
72.99303	1.9
73.02943	3.5
75.00863	6.5
80.55507	0.1
81.03448	0.3
83.00919	0.1
83.01381	2.4
84.02164	0.1
85.02943	10.4
86.00087	1.2
87.00862	5.2
87.04499	1.4
89.02432	5.9
92.12478	0.1
95.01378	3.0
97.02937	4.5
99.00866	8.6
99.04512	0.3
100.10040	0.1
101.02429	8.8
103.03999	2.2
109.02978	0.1
111.00890	0.4
112.01676	0.6
112.02440	0.1
113.02437	8.7
115.00343	0.3
115.03990	2.4
119.03480	1.5
125.02421	7.4
127.03980	0.3
131.03488	4.6
139.00386	0.4
142.02733	0.1
143.03494	5.2
145.05063	1.1
157.01430	0.7
161.04565	0.9
163.06111	1.6
205.07173	2.9
233.06651	0.1
247.08272	0.2
352.29880	0.1
360.58685	0.1
410.48007	0.1
439.36032	0.2
465.37500	0.5
515.07623	0.1
535.41589	0.1
537.40131	0.1
565.38977	1.8
566.39813	0.1
567.40588	0.1
635.43323	0.7
663.42017	0.1
707.41364	0.3
717.46173	0.1
725.43256	0.7
863.51532	0.4
905.48950	0.1
951.53638	0.3
989.54968	0.1
1033.53857	2.4
1051.54858	100.0
1052.54846	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	1053.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02941	0.3
75.00861	0.3
81.03460	10.8
83.01392	16.7
83.05043	0.6
84.02162	2.6
85.02956	44.5
86.46495	0.4
89.00330	1.5
91.01882	1.7
93.03416	0.3
95.01399	1.2
96.96006	6.5
97.02959	0.7
99.00883	1.5
99.04518	18.1
101.02445	0.5
106.00606	2.8
107.14124	0.3
107.40379	0.3
108.02187	0.3
109.02924	0.7
111.00883	35.9
121.02950	84.2
122.03275	1.3
123.00868	6.5
125.02412	0.7
127.00357	2.0
127.04008	27.8
129.01936	26.6
131.05014	1.6
133.06558	6.5
134.03705	0.4
135.04596	0.3
136.98804	0.5
137.02444	0.8
138.03233	6.9
139.00368	3.1
139.04039	0.7
143.03508	0.6
143.05043	0.7
147.03026	1.4
149.06085	0.4
151.00449	0.5
153.01942	0.6
153.05574	36.1
154.02731	0.4
154.99866	1.7
159.04527	1.6
161.06050	7.8
165.01863	0.3
166.02853	0.3
166.99858	6.5
167.03656	0.9
171.02989	13.8
171.04471	0.6
172.99538	0.3
173.00945	0.7
177.01968	0.4
180.26355	0.3
182.02219	21.8
189.04059	0.6
189.05574	7.6
191.02039	0.4
193.05080	0.7
193.96762	0.3
195.46205	0.3
196.03813	1.4
197.04570	100.0
198.04953	1.8
213.05698	0.4
215.02020	3.9
222.05331	1.5
233.04753	0.9
237.07785	2.4
250.04800	0.6
251.05626	4.9
257.04626	0.4
265.07172	7.6
268.03839	0.4
269.04529	6.1
270.04868	1.4
285.04016	1.4
286.04352	0.5
293.06561	4.0
295.04495	0.5
309.06238	2.2
337.05621	1.3
341.05212	0.5
353.05191	1.7
355.06750	1.6
369.08249	4.3
407.07898	0.4
413.07294	4.1
431.10077	1.4
463.17545	0.3
468.82324	0.3
475.08820	0.5
498.97818	0.3
535.10907	2.0
878.78625	0.4
955.48279	1.9
1038.09363	0.4
1053.45557	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	1053.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02947	2.4
75.00883	0.3
75.03715	0.2
79.05016	0.2
80.75739	0.2
81.03451	7.7
83.01386	10.6
83.05019	0.5
84.01814	0.2
84.02169	3.1
85.02947	100.0
86.03281	0.5
87.00865	0.3
89.00313	0.9
89.02434	2.4
89.03995	0.7
89.26688	0.2
91.01889	0.9
92.85552	0.3
95.01372	1.4
97.02963	1.6
99.00887	2.8
99.04511	10.3
101.02444	3.2
106.00597	1.1
108.02151	0.4
109.02959	0.9
111.00875	27.0
112.29333	0.2
113.02425	1.9
114.02751	0.2
117.03466	3.3
119.03465	0.8
121.02945	18.9
122.37090	0.2
123.00871	5.0
123.04511	1.2
123.08161	2.1
124.01605	0.3
124.08530	0.3
125.02465	2.3
125.99666	0.4
127.00368	1.0
127.04005	25.3
129.01932	26.1
132.02167	0.5
134.03732	42.2
135.04529	0.2
136.98807	1.3
137.02437	4.8
137.09720	0.4
137.79387	0.2
137.99591	0.4
138.03218	7.8
138.05638	0.2
138.97803	0.2
139.00372	8.0
139.04033	1.9
147.02997	5.7
147.04289	0.3
149.02460	1.8
149.06085	7.3
151.00371	0.4
152.01147	0.4
153.01955	1.2
153.05574	19.4
153.99059	0.8
154.02713	0.5
154.99886	1.6
155.03496	1.0
160.01636	6.1
161.02451	1.4
161.04521	1.1
162.03300	0.4
163.04010	0.5
163.11255	1.4
164.04782	2.0
164.11588	0.2
166.02719	1.0
166.99889	2.4
167.03516	1.8
171.02988	11.4
173.00909	1.9
173.02281	0.3
173.06177	0.3
175.03996	10.7
177.01973	0.3
178.02721	8.3
179.03500	1.9
181.01402	1.0
181.05048	0.8
182.02222	8.4
189.01909	1.3
189.03976	1.6
189.05469	0.2
189.12819	2.5
190.02695	0.5
190.13124	1.6
191.01973	0.7
191.03528	1.1
191.07129	0.3
192.04115	0.2
193.05061	59.8
194.05576	1.7
196.03796	3.5
197.04559	45.4
198.04892	0.9
202.02744	0.2
202.06317	0.9
204.04269	0.5
205.05042	0.9
206.05907	0.7
207.02921	1.8
207.13893	3.9
208.03799	0.5
208.14258	1.1
209.87946	0.3
215.02008	4.9
217.01410	1.0
217.04994	0.5
217.08755	1.0
218.05884	0.9
219.03076	0.3
219.06642	0.4
221.04602	0.3
221.08229	0.5
222.05331	5.5
223.06140	3.3
232.03922	0.7
233.03065	3.0
233.08182	0.9
235.06187	0.4
237.04077	0.3
237.07692	5.8
250.04796	1.7
261.07663	5.1
265.07190	21.6
279.05222	0.2
290.26035	0.2
291.05005	0.4
305.06656	1.0
307.07858	0.4
309.06165	5.5
327.07269	3.2
341.05103	0.2
353.05078	1.5
359.06052	0.3
365.08890	2.6
367.06873	1.6
369.08298	4.7
371.06226	2.5
409.07813	3.1
413.07498	2.7
427.08832	2.5
431.08289	2.2
519.24335	1.5
520.24835	1.1
521.24701	0.3
535.11023	0.3
547.10901	1.9
561.25562	10.8
562.25983	12.0
563.26056	6.0
607.12964	1.0
964.05975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02944	5.7
75.00873	10.7
83.01394	1.9
84.02146	0.2
85.02950	20.4
86.00102	2.3
87.00349	0.3
87.00874	9.1
87.04514	2.9
89.02438	5.4
92.11674	0.6
92.12287	1.2
95.01374	5.2
96.96023	0.2
97.02387	0.3
97.02950	3.7
99.00877	17.5
99.04504	0.2
101.02437	4.6
103.04002	2.1
109.14382	0.2
111.00883	0.8
112.01678	1.2
113.02448	17.4
114.02767	0.2
115.00338	0.8
115.04009	3.7
119.03488	0.8
123.00888	2.9
125.02436	6.6
131.03497	10.6
139.00385	1.0
141.01926	2.6
143.03503	9.5
145.05086	1.6
149.88145	0.2
157.01439	1.6
163.06157	1.8
205.07191	4.4
205.08919	0.3
211.41034	0.2
242.92944	0.2
345.81937	0.2
363.30997	0.2
599.39386	0.3
757.42499	0.3
886.72791	0.2
911.50153	1.4
933.47052	0.2
939.50153	2.1
940.51245	0.3
1009.52643	0.3
1013.48010	0.3
1015.54419	1.7
1017.51465	0.4
1032.09229	0.2
1035.51794	34.5
1036.51990	4.2
1037.49646	0.3
1053.52856	100.0
1054.53174	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	1053.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02943	5.9
75.00458	0.4
75.00872	10.5
83.01405	2.0
84.02144	0.3
85.02948	23.0
86.00106	2.0
87.00867	8.6
87.04506	2.4
89.02435	6.4
92.11684	1.4
95.01379	3.8
96.85453	0.2
97.02943	1.8
99.00874	45.4
101.02438	5.8
103.04013	1.6
111.00870	0.5
112.01646	1.0
113.02447	27.9
114.02736	0.3
114.98914	0.2
115.00303	0.4
115.04020	3.6
119.03480	1.3
125.02441	1.5
127.04003	0.3
129.01888	0.3
131.03491	10.9
139.00356	1.3
141.01938	19.2
143.03494	6.6
145.05067	1.3
149.04504	0.3
155.71635	0.3
157.01369	1.7
161.04584	1.4
163.06119	1.8
205.07205	4.4
221.06763	0.4
297.66626	0.3
336.60248	0.2
362.25189	0.3
366.21335	0.3
414.32739	0.3
485.36392	0.4
628.57770	0.3
749.22394	0.3
911.50110	13.3
912.51001	0.6
921.48853	1.1
939.49628	44.2
940.50250	2.6
1015.54681	0.6
1035.52026	0.5
1053.52832	100.0
1054.53259	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	1055.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02928	0.4
75.00854	0.3
83.01384	5.1
84.02157	2.0
85.02945	100.0
86.03263	0.3
87.00867	1.2
89.00336	0.3
89.02447	0.2
90.21875	0.2
93.03447	10.1
95.01370	1.0
101.02424	1.1
101.26210	0.2
103.00352	1.1
106.04250	0.5
108.02164	0.3
109.02957	0.4
111.00874	11.0
113.02515	0.2
115.00343	0.3
117.03458	0.5
119.05013	24.0
121.02944	7.5
123.00875	1.0
123.04517	3.5
129.01929	33.9
129.07117	0.3
131.05020	0.4
132.02130	0.3
133.06561	0.2
135.04518	1.1
136.05295	1.0
136.98763	0.3
137.02464	0.4
138.03224	1.8
139.00385	1.5
139.04010	0.3
142.55861	0.2
143.05029	1.0
145.01569	0.3
145.02945	0.4
147.03021	11.8
147.04532	2.9
149.02438	9.2
149.06078	1.5
151.03999	0.4
153.05569	6.1
154.02892	0.2
154.99783	0.3
159.04558	1.2
160.05338	0.3
161.02432	0.3
161.06058	5.4
162.03212	0.5
163.02737	0.2
163.04036	1.3
163.07610	2.8
164.04788	8.1
165.01982	0.3
166.99883	0.4
167.03468	1.0
171.04512	0.8
173.00914	11.6
173.02191	0.4
173.06036	2.3
175.03998	7.9
175.07600	0.5
177.05595	1.1
179.07098	1.2
182.02275	1.5
185.06140	0.2
187.04007	1.4
188.04790	2.6
189.02063	0.2
189.05557	7.6
189.07144	0.3
190.02747	1.3
191.01973	15.7
191.07068	1.8
193.01396	0.3
196.03955	0.2
197.04558	12.0
200.04787	0.2
201.05589	4.7
205.05074	2.6
208.03831	1.1
208.09030	0.3
209.03024	4.1
213.05582	0.5
219.06609	1.1
221.09839	0.5
222.05322	0.8
223.06129	10.7
223.11061	1.7
225.09167	0.3
237.07738	1.0
238.06363	1.2
251.07202	0.4
252.07976	1.5
253.05058	6.2
253.08659	2.6
254.05446	1.4
265.07227	2.4
265.09335	0.4
267.10278	10.1
277.08630	0.3
279.10312	1.4
280.07648	0.3
291.08896	0.5
295.09763	31.3
296.10199	0.4
297.07883	0.5
307.09769	6.6
309.06079	0.3
309.11292	0.3
325.10809	9.2
327.07239	8.0
337.10794	1.1
339.08749	35.2
340.09088	1.1
351.08835	0.9
353.05029	0.3
353.08878	1.3
369.09796	11.6
370.10019	0.3
371.06198	8.2
381.09918	1.0
389.07239	13.0
390.07681	0.3
397.07733	10.9
415.08804	3.8
441.11887	1.1
445.19598	0.2
449.27634	0.3
459.13040	15.0
503.01819	0.2
551.28430	0.4
595.13147	5.1
769.36011	0.2
893.62042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02946	4.3
75.00868	8.1
79.68529	0.2
83.01384	2.3
84.02172	0.2
85.02950	18.6
86.00072	1.6
87.00867	5.4
87.04516	1.8
89.02439	3.8
95.01377	2.7
96.99332	0.8
97.02898	0.2
99.00875	10.2
99.04495	0.2
101.02444	2.8
103.04013	1.6
111.00874	2.8
112.01689	0.7
112.98743	0.2
113.02449	14.6
115.00376	0.3
115.04016	2.2
119.03481	0.3
125.02467	0.3
129.01944	2.3
131.03494	5.9
139.00397	1.0
143.03500	5.9
145.05084	0.9
157.01419	1.2
162.98009	0.2
163.06097	0.7
205.07184	1.7
247.08322	0.3
428.90106	0.2
437.34714	0.2
457.37061	1.1
501.35873	0.3
581.38531	0.2
759.43134	0.4
1002.79272	0.2
1006.17590	0.2
1037.53296	1.8
1055.54382	100.0
1056.54626	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	1055.5439
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02943	4.7
75.00867	8.7
75.01292	0.3
81.03417	0.1
83.01387	2.2
84.02151	0.2
85.02950	16.8
86.00100	2.3
87.00871	8.2
87.04514	2.0
89.02440	4.7
95.01378	2.7
96.99290	0.7
99.00872	10.6
99.04479	0.2
99.92574	0.8
101.02433	3.8
103.04004	1.8
108.69661	0.1
111.00872	2.4
112.01678	1.2
112.98811	0.1
113.02447	13.5
115.00365	0.6
115.04005	3.0
115.92038	0.3
116.92850	6.0
119.03475	0.6
119.19149	0.1
125.02378	0.3
127.03971	0.2
128.47075	0.2
129.01936	2.5
131.03493	8.2
139.00371	0.6
141.01962	0.2
143.03500	6.6
143.04565	0.3
145.05043	1.4
157.01433	0.7
163.06149	0.9
173.74515	0.1
176.85300	0.1
189.04059	0.1
205.07210	3.5
221.06535	0.2
247.08409	0.2
336.96118	0.1
457.36859	0.5
759.43701	0.7
941.51282	0.2
995.53351	0.9
1037.53516	0.9
1055.54407	100.0
1056.54895	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	1055.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02943	4.4
73.50602	0.1
75.00867	8.3
75.28243	0.1
81.03445	0.2
82.17329	0.1
82.95407	0.1
83.01379	1.8
84.02145	0.2
85.02945	16.3
86.00090	1.5
87.00865	7.4
87.04506	2.4
89.02440	4.2
93.51750	0.1
95.01379	2.3
96.99321	0.7
97.02932	0.5
99.00868	10.7
99.04523	0.2
101.02431	4.3
103.03996	1.6
103.34492	0.1
109.02956	0.1
111.00877	1.9
112.01650	1.1
112.98828	0.2
113.02440	12.6
115.00352	0.5
115.04008	3.2
119.03487	0.5
125.02428	0.4
127.04028	0.2
129.01933	2.3
131.03490	8.1
139.00381	0.6
143.03491	7.2
145.05061	1.4
157.01439	0.9
163.06096	1.1
205.07170	3.4
247.08180	0.2
363.89749	0.1
391.30527	0.2
457.37103	0.5
501.35861	0.2
561.86139	0.1
569.37811	0.1
576.39520	0.1
581.38910	0.2
759.43707	0.5
775.41632	0.1
939.50403	0.1
961.51331	0.2
995.52100	2.0
1011.51495	0.5
1037.53308	1.0
1055.54382	100.0
1056.54614	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	1056.6247
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	4.3
80.18713	0.2
140.01207	2.0
152.99580	0.8
158.78999	0.2
158.80359	0.2
184.40486	0.2
189.23724	0.2
196.03824	0.4
214.04915	1.6
255.23312	100.0
256.23636	2.0
304.12067	0.2
327.03430	0.2
417.25833	0.2
452.27887	38.8
453.28275	0.9
661.46460	0.2
739.93341	0.2
770.43585	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.559
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02941	3.8
75.00866	7.4
76.01210	0.2
76.34705	0.1
83.01383	2.1
85.02946	13.5
86.00085	1.3
86.03293	1.0
87.00342	0.3
87.00867	7.0
87.04510	1.6
88.01205	0.2
89.01890	0.2
89.02439	5.0
95.01380	2.7
96.99281	0.1
97.01850	0.1
97.02940	0.6
99.00874	9.5
99.04524	0.1
99.92602	0.1
100.01193	0.6
100.16468	0.1
101.01770	0.2
101.02433	6.8
103.04001	2.1
111.00882	1.0
112.01677	0.8
113.02442	10.6
114.02783	0.7
115.00359	0.6
115.04003	2.4
116.92876	0.9
119.03519	1.1
121.08450	0.1
123.27669	0.1
125.02411	0.5
129.01897	1.0
130.02274	0.2
131.03497	5.7
132.03824	0.5
133.04016	0.1
139.00378	0.9
143.03499	5.2
143.04564	0.2
144.03867	0.5
145.05064	0.9
157.01437	0.8
161.04535	0.5
163.06105	1.5
188.18987	0.1
189.04031	0.1
203.94418	0.1
205.07187	2.6
247.08307	0.1
390.96332	0.2
391.30142	0.6
437.34631	0.1
454.90292	0.1
553.38245	0.2
602.58661	0.1
731.44684	0.2
752.68433	0.1
838.84070	0.1
995.55762	0.5
996.53522	0.2
997.53320	1.0
997.72021	0.1
1039.54724	1.7
1056.54956	6.4
1057.55566	100.0
1058.55884	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	1059.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00875	0.7
78.57938	0.5
81.03455	13.7
83.00920	1.0
83.01389	15.6
84.02171	2.1
85.02950	48.5
88.30864	0.5
91.01875	6.0
93.03456	1.1
95.01389	0.7
97.02956	0.9
99.00861	2.5
99.04514	20.5
101.02435	0.9
108.02171	14.8
109.02974	1.1
111.00881	35.3
111.01654	1.3
113.02464	2.3
121.02946	41.3
123.00887	1.3
123.04510	31.1
124.01675	0.7
125.02477	1.0
127.04008	25.3
129.01933	27.2
133.06596	2.3
137.02475	0.9
141.96001	0.6
147.02997	0.8
152.01161	28.2
154.99840	1.0
157.36346	0.5
161.04564	0.6
161.06042	2.1
166.02728	1.2
167.03496	100.0
168.03842	2.3
169.63647	0.5
170.52644	0.5
171.02995	15.5
182.96399	0.5
189.04059	1.0
189.05594	3.5
192.04311	2.6
197.00977	0.7
207.06673	3.4
215.01930	4.3
235.06128	9.4
238.74899	0.5
251.05621	2.5
252.97072	0.6
257.04565	1.2
269.04651	3.6
279.05042	3.1
293.06723	1.4
323.04129	1.2
339.07208	4.7
355.06699	2.2
383.06128	4.6
401.08932	0.6
420.91034	0.7
458.75314	0.6
471.45203	0.6
505.09799	1.0
553.19232	5.3
858.76025	0.7
1015.51971	0.9
1059.53345	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	1059.5391
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00452	0.3
75.00871	6.4
81.03439	0.2
83.01379	2.1
85.02948	15.6
86.00095	0.8
87.00875	5.3
87.04509	1.6
89.02442	7.0
95.01382	3.6
97.02941	0.6
99.00877	10.0
99.04520	0.3
101.02437	13.7
103.04006	2.6
110.45010	0.2
111.00899	0.6
112.01662	0.9
113.02448	10.9
114.02779	0.2
115.00360	0.6
115.03997	2.2
119.03487	2.3
125.02443	0.7
129.01930	0.2
131.03491	5.0
133.01466	0.2
139.00372	1.7
143.03505	6.0
145.01437	1.0
145.05074	1.2
157.01440	1.5
159.03014	1.5
161.04572	1.9
163.02483	1.8
163.06123	3.6
174.09352	0.1
181.42435	0.1
191.01999	2.0
205.07193	5.9
247.08231	0.7
366.65085	0.1
407.33453	0.2
425.34155	0.3
483.14206	0.2
583.36768	0.6
609.24670	0.2
629.81519	0.2
691.28479	0.7
707.31604	1.8
708.31158	0.2
719.31464	1.1
733.42322	0.6
738.29828	0.2
841.42395	0.3
853.42603	1.2
855.43225	1.2
909.48608	3.6
910.48450	0.2
923.49731	0.2
924.50964	1.5
939.49432	3.0
956.50964	1.2
969.50732	0.9
1041.52710	1.9
1043.53479	0.2
1044.54004	0.2
1045.56543	0.2
1059.53870	100.0
1060.54102	7.9
1072.51819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00871	7.9
83.01372	1.7
85.02951	19.9
86.00085	0.6
87.00885	4.5
89.02448	8.7
95.01373	5.0
99.00887	10.9
101.02441	13.4
111.00863	0.5
112.01608	0.6
113.02446	16.1
114.38576	0.4
115.00322	0.4
119.03502	3.3
131.03516	9.3
139.00374	1.6
143.03482	0.8
157.01349	0.4
161.04558	8.4
168.81549	0.4
179.05563	1.9
196.74106	0.4
213.73740	0.3
221.06679	6.6
274.95129	0.4
341.09265	0.4
343.54922	0.4
434.06021	0.4
607.96448	0.4
673.56976	0.4
718.50842	0.5
747.43341	0.5
874.10339	0.5
896.47119	0.4
969.01019	0.4
1015.50970	2.3
1041.52600	0.5
1059.53906	100.0
1060.53833	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	1059.5392
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00877	8.1
76.05958	0.4
83.01376	4.5
85.02949	22.8
86.00073	1.1
87.00873	5.1
89.02446	11.6
95.01385	6.6
96.95998	1.0
97.02917	0.9
99.00884	14.5
101.02436	14.3
111.00874	0.5
112.01651	0.7
113.02447	19.5
114.38153	0.4
116.92861	0.8
119.03487	4.7
122.87119	0.4
125.02402	0.7
129.16248	0.4
131.03500	5.6
139.00375	1.9
143.03503	3.2
157.01465	0.8
159.02988	0.7
160.24777	0.4
161.04536	8.4
161.43596	0.4
179.05577	2.1
205.07195	0.7
221.06699	7.1
252.71466	0.5
476.38168	0.5
541.39392	0.6
559.40143	0.6
690.24640	0.6
804.13727	0.6
911.49854	1.1
929.98236	0.6
969.49744	0.8
983.53571	0.6
1023.50311	0.6
1041.52734	2.4
1043.54797	2.4
1044.55847	0.5
1059.53931	100.0
1060.54077	7.1
1075.53174	0.8
1076.52710	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.7969
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	4.1
80.97382	0.2
86.47923	0.2
98.12956	0.2
101.85357	0.2
129.58273	0.2
168.04297	1.3
216.68655	0.3
224.06993	1.3
241.71033	0.3
261.22272	0.3
279.23312	100.0
280.23672	1.9
352.18637	0.2
442.54245	0.3
486.29828	0.4
504.31137	1.5
535.59534	0.3
766.54077	28.1
767.54572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
76.14367	0.1
85.02981	0.1
89.65602	0.1
95.63004	0.1
99.04498	0.1
101.02429	0.1
125.02412	0.1
129.02023	0.1
132.02129	0.1
133.02954	0.1
143.05087	0.1
147.00856	0.3
175.72200	0.1
183.04530	0.1
184.05229	0.1
187.03984	0.7
196.05305	2.4
200.04721	0.1
200.21487	0.1
209.06371	0.1
211.04025	1.3
212.04758	0.6
223.04008	0.3
224.04774	0.4
227.07307	0.1
237.05542	0.5
239.03494	2.3
240.04297	28.9
241.04654	0.3
244.63011	0.1
251.03374	0.1
252.04233	0.3
253.05078	5.5
255.02974	0.4
255.06560	0.1
267.02985	2.3
267.06552	0.3
268.03793	85.4
269.04132	1.6
281.04535	0.4
282.05350	4.1
283.06137	100.0
284.06445	2.2
284.09155	0.1
290.05811	0.5
293.04636	1.4
295.06149	0.2
296.03198	0.1
297.07736	0.2
305.08173	0.3
325.03616	0.3
325.07184	4.1
326.07626	0.1
334.04822	0.1
349.07355	0.1
487.13065	0.1
561.25800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01415	0.2
85.02969	0.6
89.02473	0.2
91.01923	0.1
95.01455	0.1
97.02965	0.3
99.00848	0.2
101.02442	0.5
107.01351	0.9
111.00900	0.2
113.02483	0.1
114.93075	0.1
120.35850	0.1
121.02976	0.3
129.01910	0.2
132.02177	0.5
133.02951	2.3
135.00906	0.2
135.04501	0.2
136.01694	0.7
137.02451	0.2
145.02979	0.2
151.00401	0.2
151.04030	0.9
151.22592	0.1
153.01962	0.2
155.05048	0.2
159.04567	1.1
161.02431	0.2
169.06581	0.2
171.04449	0.2
179.10774	1.2
180.05821	0.5
181.06621	1.2
183.04510	1.4
190.99889	0.5
193.05225	0.2
193.12352	0.5
196.05342	0.2
197.04526	0.2
197.06152	0.7
199.04074	0.6
200.04871	0.7
201.05591	1.4
209.06053	0.2
211.03983	0.9
212.04884	0.2
213.05647	0.2
221.11885	0.6
223.09775	0.2
224.04787	1.2
225.05618	1.2
227.03517	1.9
228.04259	1.1
239.03497	1.3
240.04317	3.9
241.05103	0.2
252.04353	0.2
253.05156	1.0
255.03041	2.6
255.06621	0.2
256.03775	0.6
265.10934	0.3
267.03015	0.7
268.03812	8.0
269.04584	100.0
270.04904	2.6
278.72107	0.1
280.03769	0.2
281.04623	0.3
283.02539	6.6
283.05981	0.6
284.03290	34.4
285.03790	0.7
291.06726	0.8
297.04004	0.8
298.04846	6.0
299.05640	28.7
300.05841	0.6
306.05417	0.7
311.05646	5.1
321.07828	0.3
325.12939	0.8
335.05737	0.6
341.06714	6.1
341.10822	0.2
342.06998	0.2
353.06580	0.2
357.13547	0.3
358.13657	0.2
385.15073	1.5
468.69269	0.2
473.10950	0.2
503.12103	2.2
519.33728	0.1
534.35889	0.1
547.19965	1.3
586.31097	0.1
1094.25305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01415	0.2
85.02969	0.6
89.02473	0.2
91.01923	0.1
95.01455	0.1
97.02965	0.3
99.00848	0.2
101.02442	0.5
107.01351	0.9
111.00900	0.2
113.02483	0.1
114.93075	0.1
120.35850	0.1
121.02976	0.3
129.01910	0.2
132.02177	0.5
133.02951	2.3
135.00906	0.2
135.04501	0.2
136.01694	0.7
137.02451	0.2
145.02979	0.2
151.00401	0.2
151.04030	0.9
151.22592	0.1
153.01962	0.2
155.05048	0.2
159.04567	1.1
161.02431	0.2
169.06581	0.2
171.04449	0.2
179.10774	1.2
180.05821	0.5
181.06621	1.2
183.04510	1.4
190.99889	0.5
193.05225	0.2
193.12352	0.5
196.05342	0.2
197.04526	0.2
197.06152	0.7
199.04074	0.6
200.04871	0.7
201.05591	1.4
209.06053	0.2
211.03983	0.9
212.04884	0.2
213.05647	0.2
221.11885	0.6
223.09775	0.2
224.04787	1.2
225.05618	1.2
227.03517	1.9
228.04259	1.1
239.03497	1.3
240.04317	3.9
241.05103	0.2
252.04353	0.2
253.05156	1.0
255.03041	2.6
255.06621	0.2
256.03775	0.6
265.10934	0.3
267.03015	0.7
268.03812	8.0
269.04584	100.0
270.04904	2.6
278.72107	0.1
280.03769	0.2
281.04623	0.3
283.02539	6.6
283.05981	0.6
284.03290	34.4
285.03790	0.7
291.06726	0.8
297.04004	0.8
298.04846	6.0
299.05640	28.7
300.05841	0.6
306.05417	0.7
311.05646	5.1
321.07828	0.3
325.12939	0.8
335.05737	0.6
341.06714	6.1
341.10822	0.2
342.06998	0.2
353.06580	0.2
357.13547	0.3
358.13657	0.2
385.15073	1.5
468.69269	0.2
473.10950	0.2
503.12103	2.2
519.33728	0.1
534.35889	0.1
547.19965	1.3
586.31097	0.1
1094.25305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00871	5.2
83.01387	2.6
85.02951	10.7
86.00084	0.6
87.00879	5.8
87.04522	0.5
89.02437	5.9
95.01384	3.3
97.02940	3.3
99.00882	11.2
101.02441	8.6
103.04037	2.1
111.00954	0.4
113.01711	0.7
113.02450	12.5
115.04002	2.2
119.03460	1.7
125.02425	4.9
131.03493	4.1
138.17674	0.3
139.00359	0.5
143.03491	4.2
145.05026	0.4
152.16771	0.4
157.01418	0.6
161.04535	0.4
163.06075	0.8
205.07181	2.6
218.97958	0.3
225.08310	0.4
250.54462	0.4
433.95468	0.4
463.35883	0.6
563.37787	0.6
601.61670	0.4
1003.55005	0.5
1047.52051	2.7
1065.52881	100.0
1066.53345	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	1067.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00868	0.5
75.88525	0.2
83.01387	5.3
84.01709	0.2
84.02161	1.8
85.02950	100.0
86.03245	0.2
87.00871	1.1
89.00327	0.2
89.02436	0.3
89.03986	0.1
91.01852	0.1
93.03453	0.2
99.00869	0.6
99.04501	0.2
101.02428	1.2
102.98679	0.1
103.00343	0.8
106.00603	0.1
108.02200	0.2
109.02937	0.2
111.00877	14.1
115.00364	0.3
117.03442	1.5
118.47822	0.1
119.05003	0.7
121.02947	5.5
123.00896	1.1
123.04500	0.9
125.02412	0.4
127.00357	0.2
127.04006	0.2
129.01936	32.6
134.03735	12.5
135.04431	0.2
136.98801	0.2
137.02454	0.8
138.03236	1.5
139.00392	1.5
139.04021	0.8
145.01425	0.6
147.03000	10.8
149.02451	1.0
149.06073	1.8
151.00404	0.2
152.01193	0.1
153.02040	0.1
153.05574	5.4
154.02641	0.1
154.99823	0.6
160.01653	0.9
161.02400	0.1
163.03996	0.5
164.04826	1.1
166.99818	0.5
167.03529	1.7
171.03000	0.1
173.00914	12.9
175.03995	2.4
178.02721	1.2
181.01404	0.2
181.05099	0.1
182.02234	2.0
189.02005	0.1
189.05801	0.1
190.02757	0.2
191.02005	8.3
193.05074	12.4
194.05605	0.2
196.03815	0.6
197.04579	12.0
198.04897	0.2
205.05145	0.2
207.03001	0.3
207.06712	0.2
209.03078	2.3
211.06136	0.5
217.01431	0.1
218.05779	0.2
219.06792	0.2
222.05424	0.8
223.06171	1.5
233.08144	0.2
235.06145	0.5
237.07648	1.1
241.10735	0.1
250.04796	0.2
253.05074	4.5
261.07703	1.1
265.07178	3.7
267.10275	0.2
269.04462	0.2
295.09753	0.9
297.06140	1.1
305.06662	0.1
309.06168	0.6
323.07764	1.5
327.07275	7.9
339.08774	0.8
341.05191	0.8
353.05197	0.4
359.06052	0.6
367.06735	13.7
368.07004	0.2
369.09866	0.1
371.06241	6.2
385.07803	2.9
387.16528	0.2
389.02655	0.2
389.07370	5.8
389.20673	0.1
397.07736	1.6
415.08777	0.3
422.10287	0.1
459.12961	0.2
553.09705	0.1
565.11877	3.5
565.21075	0.7
882.93982	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03463	1.7
83.01385	6.2
84.02158	1.9
85.02948	100.0
86.03311	0.5
87.00867	1.8
89.84869	0.3
91.01894	2.2
92.12434	1.5
99.00869	0.4
99.04507	2.9
101.02431	1.5
103.00353	0.3
108.02178	2.3
111.00883	15.1
112.01657	0.3
116.77409	0.3
117.03448	0.7
119.05051	0.5
121.02947	6.1
123.00900	0.6
123.04514	9.4
125.02448	0.4
127.03968	3.5
129.01932	24.3
134.03734	13.0
137.02412	1.3
138.03247	0.7
139.00412	0.4
147.02986	13.1
149.02365	0.5
149.06100	2.7
151.00362	1.6
152.01155	4.0
153.05565	5.4
160.01633	3.3
161.02469	0.4
164.04790	1.4
167.03485	21.3
168.03830	0.4
171.02985	1.5
173.00923	9.3
175.03992	4.8
176.04726	0.4
178.02711	1.4
179.10789	6.1
182.02199	1.3
189.05533	0.4
191.01973	13.2
192.04262	0.6
193.05049	13.8
193.12361	1.3
196.05255	0.5
197.04555	11.9
197.06242	0.4
197.11903	0.5
207.06683	0.5
209.03036	1.8
211.04068	0.5
211.24088	0.3
213.05605	0.7
221.11942	1.3
223.06090	0.6
223.09749	0.6
230.15382	0.3
235.06110	3.1
239.03502	0.5
240.04271	5.8
241.04779	4.5
241.10805	0.4
242.05048	1.5
253.05084	1.8
257.04559	0.4
261.07770	2.3
264.17273	0.3
265.07248	1.7
267.02856	0.6
268.03772	14.1
269.04141	7.4
270.04358	3.9
271.06268	0.6
282.05267	0.4
283.06131	13.1
283.11899	2.0
284.03320	2.1
284.06494	9.9
285.04059	18.2
285.06830	3.6
286.04358	9.2
286.07077	0.7
287.04636	3.2
297.06311	3.3
323.04355	0.5
323.07648	2.8
327.07623	2.9
341.05127	10.0
359.06003	3.0
367.06631	6.3
371.06247	10.3
383.06308	0.7
385.07739	2.1
385.15054	3.9
389.07364	2.9
445.17297	5.6
475.12408	1.1
489.10556	0.7
490.10812	0.7
491.11551	1.4
535.11078	2.8
565.11963	2.3
565.20923	0.6
1038.43066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00867	0.6
76.12646	0.1
77.70814	0.1
78.07529	0.1
80.31802	0.1
81.03445	0.3
83.01384	5.0
84.02161	2.2
85.02946	100.0
86.03287	0.7
87.00871	1.1
89.02447	0.3
89.03989	0.1
91.01856	0.3
99.00840	0.2
99.04508	0.6
101.02441	1.2
103.00371	1.0
108.02159	0.7
109.02930	0.2
111.00877	12.5
112.01187	0.1
115.00362	0.2
117.03450	1.5
121.02940	6.0
121.03775	0.3
123.00893	1.1
123.04507	1.8
124.01618	0.2
125.02431	0.2
127.00353	0.2
127.04021	0.3
129.01933	32.3
130.02335	0.2
133.02927	0.2
133.06572	0.5
134.03729	12.5
137.02448	0.7
138.03203	1.1
139.00374	0.7
139.04018	0.7
145.01428	0.7
147.02998	11.2
149.02443	0.8
149.06064	1.5
152.01196	0.6
153.01932	0.2
153.05562	5.1
153.06700	0.3
154.99850	0.5
160.01663	0.9
161.06030	0.3
164.04794	0.6
165.14743	0.2
166.02699	0.2
166.99887	0.6
167.03476	4.6
171.03012	0.2
172.55951	0.1
173.00903	11.4
175.00304	0.1
175.03983	1.9
178.02678	1.1
181.01404	0.1
182.02194	2.0
189.05602	0.2
191.01979	12.9
192.04282	0.2
193.05060	12.3
196.03737	0.3
197.04556	11.4
207.06639	0.2
209.03052	3.3
209.04805	0.3
211.06120	0.2
215.01949	0.2
217.01474	0.2
219.06468	0.2
221.04552	0.2
222.05373	0.8
223.06134	0.6
235.06126	1.2
237.07690	0.6
250.04781	0.2
251.05602	0.2
253.05096	3.7
254.05455	0.2
261.07626	0.9
265.07126	2.6
268.03751	0.7
269.04526	2.5
270.04919	0.2
282.30344	0.1
283.06174	0.7
285.03955	0.1
297.06143	2.1
309.06238	0.3
323.07730	1.1
327.07285	5.5
341.05231	2.6
353.05310	0.2
359.06195	2.5
367.06720	12.3
368.07037	0.2
371.06204	5.7
372.07004	0.1
377.17981	0.2
385.07880	3.5
387.16519	1.0
389.07254	7.4
397.07825	0.5
429.17548	0.3
503.12915	0.2
531.20679	1.4
535.11072	1.2
565.12177	3.1
596.69067	0.2
1054.74646	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
74.18404	0.2
75.00871	5.8
83.01395	2.6
85.02956	22.7
86.00075	0.5
87.00879	4.3
89.02450	12.8
95.01382	5.9
97.02940	1.4
99.00874	9.9
101.01767	0.4
101.02440	13.7
103.99845	0.3
111.00847	0.5
112.01656	0.6
113.02451	15.0
119.03502	3.5
129.01903	0.5
131.03487	5.7
139.00351	2.5
143.03514	2.1
157.01422	0.7
159.02946	0.6
161.04559	8.3
174.88237	0.3
179.05649	2.3
188.36678	0.3
205.68117	0.3
221.06679	7.9
263.07620	0.6
346.60648	0.3
405.37173	0.3
441.33932	1.1
489.35925	0.5
531.36981	0.4
651.41534	2.3
689.39807	0.5
805.93268	0.3
940.50806	0.4
1013.49139	0.4
1031.50745	100.0
1032.50867	7.5
1033.51648	0.6
1067.51917	0.5
1101.54053	0.4
1102.55652	0.6
1103.51855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00872	7.1
81.03457	0.4
83.01382	2.4
83.01833	0.1
83.05066	0.1
84.02167	0.3
85.02950	14.8
86.00098	1.2
87.00875	6.4
87.04509	2.0
89.02442	6.2
90.00730	0.1
92.12442	0.2
95.01385	3.7
95.26512	0.1
95.74751	0.1
97.02945	2.3
99.00878	9.8
99.04517	0.4
101.02441	8.8
103.03999	2.1
109.02978	0.2
111.00901	0.5
112.01673	0.9
113.02454	11.8
115.00377	0.5
115.04022	2.7
119.03501	1.7
125.02449	4.9
127.04018	0.3
129.01927	0.4
131.03502	4.7
139.00388	0.9
139.04027	0.1
141.01961	0.2
141.25703	0.1
143.03510	6.1
145.05067	1.2
157.01424	1.0
161.04558	1.0
163.06146	1.7
205.07196	2.9
208.16815	0.1
247.08275	0.3
259.93549	0.1
262.34448	0.1
415.11703	0.1
463.35776	0.1
507.58047	0.1
511.42575	0.1
526.38812	0.1
551.37970	0.1
563.37463	0.4
583.40137	0.4
723.40363	0.1
741.42883	0.5
862.58173	0.1
921.48688	0.1
925.52399	0.1
953.51007	0.4
967.52106	0.2
1005.54681	0.5
1016.28558	0.1
1049.53406	1.3
1051.57324	0.1
1067.54370	100.0
1068.54663	9.4
1069.52429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00868	6.0
80.60346	0.1
81.03445	0.4
83.01385	2.1
83.04996	0.1
84.02177	0.2
85.02949	13.3
86.00094	0.9
87.00871	5.0
87.04509	1.5
89.01880	0.2
89.02440	6.3
95.01382	3.5
97.02943	2.1
99.00875	9.2
99.04517	0.2
100.30575	0.1
101.02433	7.7
103.04017	2.3
111.00864	0.5
112.01643	0.7
113.02446	10.4
115.00377	0.5
115.03999	2.7
119.03484	1.6
119.83222	0.1
125.02432	4.2
127.03098	0.1
127.04027	0.4
129.01991	0.2
131.03488	4.2
135.91306	0.1
139.00398	0.9
143.03502	5.4
144.52242	0.1
145.05087	1.2
157.01416	1.1
161.04567	1.2
163.06139	1.7
168.58223	0.1
205.07195	3.4
205.09122	0.1
221.74968	0.1
233.06590	0.1
247.08218	0.1
314.11600	0.1
353.31213	0.1
382.82751	0.1
465.84253	0.1
535.38062	0.2
551.38715	0.1
583.40363	0.1
663.74316	0.1
694.34308	0.1
741.42560	0.5
879.51721	0.4
881.61749	0.1
929.44647	0.1
967.53894	0.2
1005.54956	0.4
1049.53625	1.5
1067.54358	100.0
1068.54626	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	1067.544
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00873	10.9
75.20758	0.5
77.58027	0.4
78.37235	0.4
79.06789	0.4
82.61613	0.4
83.01385	2.6
85.02464	0.8
85.02952	16.8
85.75839	0.5
86.00109	2.1
87.00872	7.4
87.04519	2.5
89.02437	4.2
92.12521	1.0
92.65302	0.4
95.01381	1.7
97.02985	0.8
99.00879	13.7
101.02444	6.5
103.04001	3.6
111.00900	0.9
113.02442	13.6
115.04000	2.9
116.88252	0.4
119.03493	0.6
122.22427	0.5
125.02468	0.8
125.99622	0.6
127.00372	1.8
129.01958	5.2
131.03496	9.3
133.59315	0.5
139.00471	0.5
141.63185	0.4
143.03496	6.0
157.01414	0.9
163.06178	2.5
191.05656	0.5
205.07210	6.1
230.67180	0.5
247.08298	0.7
255.85686	0.6
277.09317	0.8
337.11432	0.7
407.53891	0.5
443.15289	0.5
551.37341	1.9
904.07269	0.5
947.43353	2.0
1007.52386	20.7
1008.52325	1.0
1049.53174	1.9
1067.54395	100.0
1068.54236	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	1069.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
74.68018	0.3
81.03451	11.6
83.01380	14.3
84.02168	3.6
85.02946	100.0
86.03299	0.4
87.00871	0.7
88.55958	0.3
89.00319	1.5
89.03954	0.4
89.74277	0.4
91.01894	1.3
93.03442	1.9
94.92477	0.4
95.01395	0.6
97.02930	1.5
97.21630	0.4
99.00867	0.5
99.04510	18.4
106.00593	1.4
107.74515	0.3
108.02134	0.6
109.02934	1.4
111.00874	28.7
117.03443	0.5
119.04993	0.4
121.02941	29.8
123.00858	5.8
123.04507	1.9
124.01662	0.5
125.02447	1.8
127.00371	2.0
127.03999	40.9
129.01930	29.0
132.02162	1.6
134.03725	1.9
135.04506	1.4
136.98807	1.5
137.02446	3.4
137.99600	0.5
138.03217	7.3
138.99390	0.5
139.00375	7.9
139.04002	1.7
144.37343	0.5
147.03024	4.9
147.04521	5.4
149.02437	66.2
150.02834	0.4
152.01147	3.4
153.01894	0.7
153.05576	21.1
154.02734	0.5
154.99857	2.3
155.03452	0.4
161.02487	0.7
163.04005	3.1
164.04785	49.5
165.01869	0.7
165.05127	0.5
166.02731	0.5
166.99838	3.7
167.03488	4.6
169.05132	0.6
171.02980	14.3
173.00897	1.3
175.00385	0.8
178.02704	0.5
179.03534	0.8
179.07138	6.4
179.10736	3.1
181.01535	0.5
181.05139	0.5
182.02203	9.4
189.01974	2.3
189.04022	1.3
190.02704	3.3
191.02007	0.4
191.03554	1.4
193.01419	7.2
193.05029	2.4
196.03761	2.8
197.04558	40.2
198.04877	0.4
205.05060	5.0
207.03064	1.8
208.03780	14.9
215.01993	5.1
217.01442	0.8
222.05313	5.0
223.06129	92.5
224.06482	0.8
232.03842	0.5
233.03008	3.4
235.06224	0.6
237.07706	5.6
250.04797	2.0
265.07184	17.4
291.05618	0.6
291.08646	3.8
309.06253	3.6
327.07285	3.7
353.05136	1.4
369.08289	4.0
371.06186	1.8
379.06561	0.5
395.09909	3.1
397.07422	0.4
413.07327	1.7
421.22665	0.5
431.08383	2.5
439.08820	3.1
447.18774	2.0
457.10211	1.7
491.18854	0.4
915.69421	0.4
920.85693	0.4
1072.22473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00857	0.3
82.87231	0.2
83.01387	4.5
84.02160	2.1
85.02946	100.0
86.03280	0.2
87.00871	0.8
89.00318	0.3
91.01870	0.2
93.03416	0.2
93.38146	0.2
99.00871	0.3
99.04534	0.2
99.50096	0.2
101.02442	1.5
103.00388	0.4
106.00624	0.2
108.02113	0.2
111.00876	12.4
117.03489	0.2
119.05033	0.2
121.02945	10.9
123.00892	1.7
123.04533	0.7
125.02391	0.3
127.00326	0.2
129.01930	43.1
132.02151	0.3
135.04532	0.4
137.02429	0.4
138.03220	1.9
139.00359	1.9
139.04050	0.4
145.01494	0.3
147.03001	9.5
147.04492	1.0
149.02438	16.1
152.01195	0.4
153.05568	8.1
154.99820	0.2
163.04016	0.8
164.04788	11.8
165.01921	0.3
166.99860	1.2
167.03539	1.8
173.00903	11.7
177.01807	0.2
179.07112	2.0
181.01401	0.3
182.02196	3.6
190.02701	2.1
191.01978	6.9
191.03499	0.5
193.01466	0.8
193.05075	0.2
196.03786	0.7
197.04561	17.0
198.04884	0.2
205.05055	3.7
206.05731	0.2
207.03140	0.3
208.03787	2.2
209.03038	1.8
211.06123	0.4
222.05446	1.3
223.06131	18.7
232.03737	0.3
233.04527	0.2
237.07610	1.3
250.04921	0.3
265.07166	4.8
267.02820	0.2
268.03751	2.8
269.04187	1.2
270.04416	0.2
271.06104	0.4
291.08627	1.8
295.04614	0.3
309.06052	0.8
327.07227	8.0
353.05087	0.3
353.08847	2.4
371.06207	11.0
389.07272	6.1
389.12299	0.2
397.07791	12.4
415.08798	3.8
429.17407	1.1
431.09772	2.7
432.10263	1.4
432.45367	0.2
433.10629	1.4
442.19998	0.2
474.11414	0.2
475.57645	0.2
595.13135	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00890	0.7
76.57606	0.3
81.03451	6.9
82.03786	0.6
83.01380	10.1
83.05043	0.4
84.02166	3.4
85.02945	100.0
86.03275	4.9
87.00861	0.7
87.03378	0.4
91.01898	1.6
93.03445	0.5
95.01369	0.3
95.21684	0.3
99.00873	0.3
99.04508	9.3
100.04864	0.6
101.02399	0.4
103.00380	0.3
106.00595	1.3
108.02167	2.9
109.02966	0.7
111.00874	23.7
112.01212	1.4
112.15730	0.3
112.98853	0.3
117.03444	0.5
119.05028	0.4
121.02940	29.7
122.03287	2.1
123.00895	2.7
123.04519	5.7
124.01672	0.5
127.00390	1.3
127.03059	0.7
127.03999	19.9
128.04347	3.0
129.01926	34.1
130.02261	2.0
131.04985	0.4
133.02985	0.3
133.06599	1.4
134.03728	4.5
135.04498	1.6
136.48746	0.3
136.98788	1.2
137.02435	2.2
138.03247	3.8
139.00365	3.5
139.03969	0.5
140.00728	0.4
147.02998	5.3
147.04344	0.8
148.04834	0.5
149.02438	20.8
149.06097	0.4
150.02759	5.6
151.00417	0.6
151.02983	0.7
151.04056	0.5
152.01158	5.7
153.01813	0.4
153.05566	12.6
154.02713	0.4
154.05917	1.8
154.99905	1.2
161.02365	0.3
161.06055	1.6
163.04042	1.6
164.04785	17.2
165.01917	0.4
165.05103	5.5
166.05124	0.4
166.99869	1.2
167.03484	15.3
168.03815	0.7
171.02988	6.7
172.03275	0.6
173.00943	5.9
178.02753	1.0
179.03531	0.6
179.07195	2.5
179.10756	2.0
179.79774	0.3
180.07518	0.3
180.11185	0.3
182.02182	5.5
189.04083	0.6
189.05580	2.6
190.02765	0.6
190.04417	0.4
191.01984	1.4
191.03516	0.4
192.04263	0.5
193.01431	2.0
193.05061	6.8
194.01813	0.5
194.05493	0.5
196.03781	1.7
197.04556	27.0
198.04918	3.3
199.05002	0.4
205.05118	1.7
206.02330	0.3
207.06538	0.5
208.03804	5.1
209.04140	1.6
210.04324	0.3
211.06395	0.4
215.01996	2.0
217.01573	0.4
222.05371	1.9
223.06137	29.6
224.06474	11.5
225.06683	1.9
233.03067	1.9
235.03867	0.3
235.06183	1.9
237.07787	1.9
238.08054	0.3
250.04784	0.5
251.05602	2.8
253.05167	0.7
261.07651	0.4
265.07199	8.8
266.07510	2.6
267.07825	0.5
291.08817	1.2
295.04626	5.4
309.06265	1.9
310.06610	0.4
313.05685	2.3
323.04266	0.4
327.07291	5.8
339.06940	0.3
341.05081	0.4
353.05243	1.4
369.08331	1.7
370.08551	0.6
371.06088	4.0
372.79950	0.3
383.06726	1.0
391.20255	0.3
395.09601	0.3
409.07813	0.4
413.07251	0.5
427.08859	0.4
431.08038	0.5
433.08698	0.4
439.08954	0.6
448.18900	0.5
493.09875	3.9
626.83221	0.3
742.58472	0.4
773.95496	0.4
838.29333	0.3
874.26215	0.3
1053.71533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00888	0.5
81.03454	4.8
83.01389	8.0
84.02171	2.7
85.02949	100.0
86.03294	2.4
87.00857	0.7
89.00323	0.6
89.04005	0.3
91.01904	2.0
93.03439	0.7
95.01381	0.4
97.02945	0.3
99.00865	0.3
99.04509	7.3
101.02447	1.1
106.00571	0.4
108.02169	3.7
109.02980	0.3
111.00880	21.2
111.37070	0.2
112.01215	1.1
116.68743	0.2
117.03482	0.4
121.02946	30.2
122.03242	0.5
123.00896	1.7
123.04507	6.8
125.02486	0.4
127.00397	0.4
127.04006	11.6
128.04349	1.1
129.01935	37.5
130.02286	0.9
131.05011	0.3
133.02982	0.4
133.06593	2.8
134.03734	6.7
135.04472	1.5
136.98784	1.2
137.02457	2.1
138.03229	2.8
139.00356	3.3
139.03992	0.3
140.00810	0.4
147.03001	6.8
147.04442	0.5
149.02443	10.6
149.06085	1.0
150.01669	0.4
150.02678	2.0
151.00397	1.2
152.01160	5.1
153.05560	10.0
154.05917	0.6
154.99834	0.3
159.04482	0.3
160.01697	0.6
161.06079	2.6
163.03963	0.4
164.04802	7.9
164.58337	0.3
165.05138	1.8
166.02716	0.3
166.99899	1.3
167.03487	19.9
168.03893	0.5
171.02991	5.7
172.03261	0.5
173.00909	10.2
175.04088	1.0
178.02789	1.1
179.03586	0.4
179.07214	0.5
179.10739	2.4
180.11176	0.4
182.02232	3.6
189.02083	0.3
189.04053	0.8
189.05612	3.5
190.02701	0.6
191.01930	2.8
192.04263	0.5
193.01447	0.4
193.05069	9.5
194.05432	0.3
196.03781	0.6
197.04567	20.1
198.04916	1.5
199.05154	0.3
205.05055	1.2
206.05585	0.3
207.02945	0.5
207.06630	0.6
208.03777	2.2
209.04156	0.7
215.01987	2.0
222.05420	1.9
223.06133	14.4
224.06461	4.9
225.08052	0.3
233.02864	0.5
233.04816	0.4
235.06226	2.5
237.07755	1.5
250.04733	0.3
251.05588	4.4
253.05112	1.2
265.07205	5.9
266.07532	0.6
267.07846	0.4
268.03928	0.5
271.06223	0.7
279.05185	1.2
283.06104	0.5
291.08810	0.4
295.04626	8.7
309.06219	1.1
310.06805	0.4
313.05612	3.7
323.03949	1.1
327.07242	5.7
328.07825	0.3
339.07312	0.6
341.05215	0.6
367.92804	0.3
369.08279	0.6
371.06183	7.4
383.06470	1.4
396.10498	0.3
399.08615	0.3
401.07248	0.4
407.78925	0.3
427.09085	0.4
427.72290	0.3
447.18866	0.5
448.19208	0.3
475.12665	0.5
492.18848	0.3
493.10019	6.2
510.26273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
78.01124	0.2
81.03455	13.7
83.01387	14.8
83.05035	0.3
84.02160	2.3
85.02949	58.9
89.00325	2.9
91.01895	1.0
91.05553	0.2
93.03435	0.7
95.01361	1.2
97.02959	1.2
99.00887	0.9
99.04517	21.1
101.02436	0.3
106.00598	3.0
109.02947	1.3
111.00878	33.8
112.98790	0.4
113.02489	0.2
117.03452	0.2
119.05033	0.3
121.02950	47.2
122.03271	0.4
123.00875	8.4
123.04540	0.2
125.02442	1.3
127.00375	1.8
127.04006	28.4
129.01936	32.8
132.02173	0.2
134.03822	0.2
135.04527	0.9
136.98802	1.3
137.02458	2.0
138.03229	8.7
138.67412	0.2
139.00375	4.8
139.04019	0.7
141.01938	0.2
147.03008	3.0
147.04396	1.2
149.02448	22.8
150.02855	0.3
151.00417	0.4
151.04007	0.2
152.01166	1.1
153.02028	1.2
153.05579	37.9
153.99123	0.2
154.02721	0.7
154.05910	0.3
154.99858	1.5
155.03485	0.3
163.03995	1.4
164.04797	17.0
165.01917	0.7
165.05162	0.2
166.02739	0.7
166.99855	7.6
167.03490	0.4
169.05080	0.7
171.02992	17.4
173.00917	1.0
175.00397	0.3
177.01915	0.3
178.06277	0.2
179.03499	0.3
179.07138	2.8
181.01433	0.8
181.04999	0.4
181.91505	0.2
182.02217	25.5
183.02626	0.3
189.02043	0.2
189.04068	1.1
190.02713	2.7
191.01929	0.3
191.03537	0.8
193.01440	3.5
193.05052	0.4
196.03760	1.9
197.04568	100.0
198.04900	1.5
204.04402	0.3
205.05083	4.9
206.05577	0.7
207.03093	1.2
208.03796	9.4
215.02008	6.8
217.01413	0.3
219.03050	0.2
219.06602	0.7
221.08316	0.3
222.05356	3.3
223.06139	44.8
224.06456	0.6
233.02901	2.5
237.04073	0.2
237.07710	3.9
247.09764	0.3
248.06693	0.2
250.04854	1.1
263.09177	0.3
265.07190	14.7
266.07474	0.2
271.06085	0.2
281.06616	0.2
291.05423	0.3
291.08783	3.0
309.06171	4.0
327.07166	2.6
335.08017	0.3
353.05136	5.0
369.08270	4.3
371.06216	2.9
379.06882	0.2
395.09872	1.6
397.07764	1.1
413.07336	5.1
431.08310	2.2
439.08887	2.0
457.10013	1.2
577.12036	1.1
637.14020	1.1
940.83490	0.2
1034.38489	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00864	7.3
83.01385	2.7
85.02943	16.1
85.42068	0.3
86.00093	1.5
87.00867	6.5
87.04509	1.4
89.02436	6.7
95.01360	3.5
97.02972	0.5
99.00862	12.6
101.02431	8.6
103.03989	2.2
111.00855	0.4
112.01646	1.3
113.02438	13.1
114.02897	0.4
115.04003	2.6
119.03468	2.3
123.70029	0.3
125.02428	0.8
131.03500	4.2
133.05147	0.3
139.00342	2.2
141.01875	0.6
143.03479	6.0
145.05098	0.8
157.01442	1.6
161.04544	1.2
163.06117	1.8
205.07169	4.0
237.15076	0.3
274.02509	0.3
386.59070	0.3
527.37421	1.7
587.12653	0.4
641.40674	0.6
685.39465	0.6
911.50928	1.4
937.51495	0.5
941.50854	1.8
942.51349	1.8
967.53174	1.8
993.50610	0.6
1011.51727	100.0
1012.51923	9.3
1013.51947	0.6
1041.51758	0.6
1042.51733	0.4
1053.52551	0.6
1071.54224	6.5
1085.56079	0.6
1086.55933	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	1072.5747
Annotation	Unknow
Peak:m/z	Relative Intensity
74.06786	0.5
74.66580	0.5
78.95902	51.0
85.02920	0.8
87.32496	0.6
96.96956	10.8
148.65163	0.5
152.99597	79.0
154.03047	0.5
171.00645	2.5
175.08922	0.5
182.96930	0.5
223.00165	9.4
241.01210	21.7
259.02228	0.9
269.81473	0.5
279.23312	63.2
280.23630	2.8
315.04865	7.6
333.06000	0.7
354.11392	0.5
365.88205	0.6
368.03217	0.6
415.23944	0.7
416.12775	0.7
476.28143	3.9
542.81073	0.6
595.28998	100.0
596.29413	5.8
597.29694	0.9
639.89166	0.5
672.11163	0.7
723.94086	0.6
1037.52917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00870	7.0
81.03434	0.1
83.01389	1.8
85.02947	13.6
86.00101	1.3
87.00868	6.6
87.04508	1.9
89.02441	4.5
89.02858	0.1
95.01380	2.3
97.02937	3.0
99.00870	9.3
99.04507	0.2
101.02436	3.5
103.04002	1.5
111.00863	0.2
112.01653	0.8
113.02446	10.9
115.00354	0.4
115.04002	4.0
119.03503	0.6
122.08156	0.1
125.02432	5.9
127.04028	0.2
129.01949	0.4
131.03491	8.8
139.00380	0.9
143.03502	6.7
145.05061	1.2
157.01421	1.2
163.06131	1.7
188.32007	0.1
191.05565	0.1
198.03729	0.1
205.07184	4.1
247.08362	0.2
297.64075	0.1
457.36646	0.2
563.37402	0.1
583.40094	0.8
741.42432	0.5
750.80756	0.1
937.51672	0.5
1019.52625	0.4
1037.53333	100.0
1038.53503	8.4
1050.25024	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	1073.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00866	6.2
75.01292	0.2
77.78110	0.1
81.03452	0.2
83.01378	2.0
84.02223	0.1
85.02944	13.7
86.00092	1.4
87.00866	5.5
87.01394	0.2
87.04507	1.8
89.02438	4.1
92.11820	0.1
95.01369	2.5
96.96005	0.1
96.98744	0.1
97.02929	0.5
99.00871	10.9
99.04527	0.2
101.02431	3.7
101.26524	0.1
103.04000	1.3
111.00854	0.3
112.01682	1.1
113.02440	12.4
115.00368	0.6
115.03993	2.9
119.03476	0.6
125.02425	0.3
129.01935	0.4
131.03484	7.4
132.03893	0.1
139.00363	0.8
143.03496	5.5
145.05048	0.9
157.01440	1.4
159.02969	0.1
163.06111	1.2
191.05586	0.2
205.07181	3.3
238.43503	0.1
257.37656	0.1
337.38339	0.1
387.26614	0.1
391.30231	0.6
407.33310	0.2
409.34970	0.2
423.32773	0.2
437.34497	0.2
439.32101	0.2
455.35675	0.2
457.36966	0.8
463.35791	0.2
483.38449	0.2
501.35999	0.2
511.37695	0.1
527.37439	0.1
559.39880	0.6
599.36005	0.2
613.37219	0.5
615.39545	0.4
641.39697	0.1
659.38739	0.1
673.43347	0.1
717.42352	1.5
805.48108	0.2
911.50677	0.2
937.51489	0.9
995.52533	0.6
1013.53284	100.0
1014.53418	10.5
1015.53192	0.2
1035.51355	0.2
1073.52893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.6337
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	5.1
106.85460	0.4
145.77103	0.3
152.99580	1.6
153.47246	0.4
168.04330	2.1
224.06995	0.7
242.08022	2.1
245.46344	0.3
279.23309	100.0
280.23636	1.9
504.31039	53.5
505.31693	1.3
554.30579	3.0
554.38116	0.3
585.47760	0.4
1037.53430	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	1073.6341
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	14.7
82.49290	0.2
116.29858	0.2
117.36853	0.3
152.99605	2.8
168.04297	3.9
224.06976	9.9
242.08029	2.3
279.23312	100.0
280.23621	2.3
413.72455	0.3
504.31027	65.0
505.31439	2.2
554.30261	3.3
964.32166	0.3
1037.40234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
74.65974	1.4
81.03443	14.1
83.01394	20.1
85.02953	91.8
87.13343	1.4
89.00343	1.4
90.00050	1.5
92.12315	1.8
93.03484	1.4
95.01366	1.9
96.08252	1.9
99.04525	33.4
111.00137	3.2
111.00877	50.0
112.11094	1.5
117.03468	7.4
119.05038	20.8
121.02940	36.5
122.31336	1.5
123.00889	10.3
123.04558	1.9
125.02406	1.8
127.03999	44.1
129.01929	45.7
134.03731	54.8
137.02455	2.2
138.03238	8.0
139.00394	3.7
145.02937	23.7
147.02992	3.0
149.06107	9.1
153.05573	38.0
160.01604	2.2
163.04015	15.4
166.99857	7.4
167.03502	3.9
171.03008	24.1
175.04022	7.1
178.02756	10.9
182.02170	28.6
189.06679	1.9
193.05067	71.4
197.04559	100.0
202.06375	1.9
215.02014	9.1
231.06674	2.9
233.03139	2.7
237.07687	2.8
239.50642	1.8
253.05136	8.1
261.07800	3.4
265.07141	14.5
270.24036	1.7
309.06125	2.4
320.35904	1.7
353.05017	2.8
369.08340	3.4
371.06168	2.2
409.07922	3.2
413.07352	2.3
427.09003	2.7
431.08484	2.6
547.11353	1.8
607.13483	2.7
1039.42480	2.0
1111.72937	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	1075.424
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03448	0.5
83.01385	2.6
85.02947	8.3
87.00863	1.0
89.02437	14.9
89.76234	0.1
90.02795	0.1
95.01385	1.6
97.02942	1.7
99.00874	40.1
99.04510	0.2
100.01143	0.1
101.02432	10.4
105.95735	0.1
108.05798	0.2
109.06639	0.2
109.87408	0.1
111.00900	0.8
111.04538	0.3
112.01670	0.2
113.02446	13.1
113.06068	0.3
115.04002	0.2
119.03477	1.6
121.02971	0.3
123.04469	0.2
123.08182	0.5
125.02441	2.4
125.06055	0.5
127.04002	0.8
129.01924	0.9
131.03491	4.3
134.03737	0.6
136.05313	1.1
137.02501	0.1
138.06873	2.6
139.07669	1.0
143.03479	1.4
147.08195	0.2
149.04550	7.9
149.06154	0.3
151.07648	3.0
152.04889	0.2
152.07216	0.3
152.08432	8.0
153.09213	18.9
155.03531	1.7
159.03017	0.5
161.04558	5.5
161.09706	1.2
163.11264	1.2
164.25813	0.1
165.09174	0.8
167.03488	0.2
167.07129	0.5
171.03084	0.2
176.08432	0.1
178.02747	0.2
179.05566	0.3
179.10727	0.4
187.11279	1.2
189.09247	0.2
190.10010	0.8
191.05618	9.3
193.05069	0.9
197.04643	0.5
203.03757	0.2
203.05602	2.8
205.12349	20.1
206.12648	0.2
223.13411	3.1
233.06668	2.4
233.11935	0.2
259.13162	0.2
293.08899	0.2
325.83893	0.1
335.09906	1.4
353.10999	0.7
365.14743	0.2
367.17706	2.6
385.18674	1.6
427.19876	3.1
499.21967	3.1
517.22888	9.1
559.23981	100.0
560.24408	2.0
603.23853	0.3
666.57697	0.1
779.69006	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	1075.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00863	4.8
83.01379	2.4
85.02950	11.6
86.00087	0.7
87.00879	4.9
87.04491	0.6
89.02449	5.5
95.01389	3.7
96.99303	3.3
97.02949	0.4
99.00880	9.9
101.02431	7.8
103.04004	1.3
111.00922	0.5
112.01698	0.5
113.01710	0.5
113.02444	10.7
115.00381	0.5
115.04012	1.9
119.03468	1.8
125.02461	0.3
131.03526	3.2
139.00421	1.5
143.03522	4.4
145.05035	0.4
157.01451	1.4
161.04567	1.5
163.06143	2.0
187.04738	0.3
205.07195	3.8
327.04163	0.3
713.38617	0.4
941.51263	2.0
967.50659	0.4
977.50708	0.4
995.52759	1.8
1039.51294	100.0
1040.51550	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00863	5.9
83.01381	2.3
85.02469	1.0
85.02950	22.7
86.00123	0.9
87.00884	7.4
89.02444	11.4
95.01384	7.7
97.02930	0.5
99.00877	12.1
101.01774	0.6
101.02438	17.3
108.19909	0.5
111.00918	0.9
112.01659	0.8
113.02449	15.4
116.97017	0.5
119.03490	4.1
127.00400	0.8
129.01926	1.1
131.03499	7.2
139.00383	2.9
143.03529	2.3
146.98010	0.5
157.01334	0.7
159.03015	1.1
161.04555	9.0
163.02496	2.1
179.05623	3.8
191.02023	1.0
205.07236	0.7
221.06703	10.6
241.41896	0.5
257.15985	0.6
263.07846	0.7
287.69238	0.5
391.29938	0.6
529.50610	0.5
569.42328	0.6
588.54211	0.6
599.32220	0.6
701.70984	0.6
723.31683	0.7
732.41754	0.5
735.30511	0.8
871.41528	0.8
911.50287	1.2
925.49017	2.5
955.49042	3.4
969.51733	0.7
972.50055	1.0
985.50391	0.8
1014.52722	0.6
1015.53455	1.1
1039.51086	7.0
1057.53821	5.1
1075.53394	100.0
1076.53894	5.6
1083.54578	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00869	5.4
75.11546	0.4
83.01364	1.5
85.02465	0.7
85.02950	12.1
86.00101	0.7
87.00869	5.3
87.04500	0.9
89.02430	6.1
95.01366	2.4
99.00869	7.8
101.02433	7.9
103.03988	2.3
112.01667	0.4
113.02441	8.9
115.03992	2.1
119.03494	1.9
131.03503	3.9
139.00380	0.8
142.04695	0.4
143.03474	4.9
146.23544	0.4
157.01393	0.9
161.04539	1.7
163.06126	1.7
176.70845	0.4
205.07167	3.4
234.99854	0.5
441.34036	0.8
576.25067	0.4
1015.51282	100.0
1016.51404	6.3
1075.54028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00859	0.2
81.03446	0.5
81.52087	0.1
83.01385	2.9
83.05017	0.6
85.02948	7.5
87.00855	0.8
89.02439	8.2
95.01383	1.4
96.27079	0.1
97.02914	1.0
99.00872	9.6
99.04489	0.2
99.78967	0.1
101.02435	11.9
107.04985	0.1
111.00848	0.7
112.01658	0.7
113.02445	10.1
119.03477	2.0
121.02963	0.2
121.06594	0.2
121.27593	0.1
123.08151	9.3
125.02438	1.5
127.03970	0.6
129.01945	0.9
131.03493	1.8
134.03720	0.3
137.02451	0.1
137.09732	2.6
138.06854	0.6
143.03497	1.8
149.04553	1.3
149.09727	0.2
152.08430	0.5
152.72684	0.1
153.05579	0.1
153.09258	1.3
154.09497	0.2
155.03514	0.2
159.02966	1.1
161.04561	6.5
163.11293	9.3
167.03369	0.1
171.11792	0.5
173.09726	0.6
179.05602	1.2
189.12866	14.0
190.13145	0.1
191.05606	1.6
193.05118	0.5
197.04608	0.5
198.04787	0.1
203.05618	0.2
205.12369	0.7
207.13928	17.7
208.14232	0.3
221.06723	0.2
223.13524	0.2
225.15009	2.2
321.17050	0.5
369.19153	0.3
374.78494	0.1
387.20215	1.6
429.21402	1.5
501.23450	2.3
517.22430	0.2
519.24500	11.7
520.24969	0.5
559.24017	2.2
560.24207	1.3
561.25586	100.0
562.25836	3.5
648.66681	0.1
891.14087	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	1077.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00871	11.4
75.01285	0.4
77.75184	0.2
83.01389	2.1
85.02949	21.2
86.00085	2.2
87.00870	8.7
87.01382	0.3
87.04510	2.7
89.02439	7.2
89.02958	0.3
92.11676	0.6
95.01387	3.9
97.02973	0.2
99.00874	15.2
99.04545	0.5
101.02437	6.0
103.04011	2.1
111.00883	0.4
112.01633	1.5
113.02445	21.3
115.00397	0.4
115.04003	4.7
119.03524	1.0
125.02493	0.4
127.04037	0.2
129.01950	0.4
131.03491	11.8
139.00417	1.2
143.03506	10.5
145.04128	0.2
145.05083	1.7
157.01416	1.9
161.04599	0.3
163.06126	2.8
205.07196	7.8
247.08354	0.2
309.62604	0.2
342.78809	0.2
408.76614	0.2
463.35953	1.0
483.38611	1.5
527.37695	0.9
531.10675	0.2
603.32861	0.2
609.98389	0.2
641.40930	1.4
646.78467	0.3
897.48639	2.0
919.50079	0.3
937.51794	50.1
938.52783	1.7
981.50562	4.3
1039.51514	0.8
1041.52795	100.0
1042.52832	4.9
1062.78223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96630	0.3
81.03455	7.0
83.01388	9.5
84.02157	2.8
85.02948	100.0
85.41789	0.3
86.03268	1.1
87.00874	0.5
87.39682	0.3
89.03976	0.7
91.01892	2.4
95.01391	0.7
97.02956	0.4
99.00861	1.1
99.04517	12.5
108.02172	7.4
109.02948	2.2
111.00879	25.5
115.14877	0.3
117.03468	3.8
121.02966	0.7
123.00877	3.7
123.04516	19.9
124.01676	3.9
125.02428	1.7
127.00353	0.4
127.04006	29.6
129.01930	25.5
132.02222	0.5
133.02946	0.5
134.03734	40.9
136.01648	2.3
137.02448	1.7
139.00340	0.4
139.04082	0.4
147.03014	6.5
147.04335	0.5
149.02519	0.4
149.06084	5.9
151.00397	0.3
151.04004	1.3
152.01144	6.9
154.99869	1.7
160.01646	3.7
162.03247	0.3
163.04007	0.7
164.04787	2.1
166.02699	3.9
167.03496	42.4
168.03845	0.5
171.02985	11.8
173.00902	1.7
173.02281	0.3
174.03235	1.6
175.04005	7.5
176.04767	0.7
178.02701	7.9
189.04028	1.1
189.05611	1.4
190.02695	0.5
191.02005	0.6
191.07101	0.4
192.04279	6.1
193.05058	62.7
194.05406	1.7
197.01006	0.6
197.04510	0.6
202.02740	0.5
207.03215	0.3
207.06636	8.1
208.06836	0.3
215.02003	5.2
217.05112	0.4
217.08775	0.7
220.03758	1.2
223.06219	0.6
224.04692	0.3
233.02989	3.3
233.08195	0.3
235.06131	24.8
236.06474	0.4
251.04018	0.4
253.05086	11.7
254.05392	1.6
261.04071	0.5
261.07681	4.5
268.03796	0.5
279.05106	8.0
283.06055	0.6
297.06137	4.3
305.06693	1.3
323.04175	1.7
339.07217	6.0
341.05121	4.1
365.08820	3.7
367.06622	1.7
383.06250	4.3
401.07336	4.0
409.07803	5.7
427.08902	3.1
473.11072	0.6
517.09955	4.6
577.12030	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	1079.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03451	11.8
83.01384	14.1
84.02161	2.2
85.02947	56.8
86.03278	0.4
87.00847	0.4
89.03999	0.4
91.01892	7.0
92.11680	1.0
95.01369	0.5
97.02949	0.4
97.85731	0.3
99.04510	16.6
108.01447	0.5
108.02177	13.8
109.02956	1.3
111.00876	34.2
112.01202	0.3
117.03481	2.2
121.02908	0.3
123.00882	1.9
123.04515	33.3
124.01656	2.0
125.02412	0.4
127.04004	26.1
129.01933	27.8
132.02130	0.3
133.02966	0.2
134.03731	27.1
136.01640	0.3
137.02437	1.4
142.05632	0.2
145.02765	0.2
147.03017	3.5
148.08371	0.2
149.06082	5.1
150.09698	0.3
151.04010	0.4
152.01151	21.6
153.01796	0.4
154.99854	1.6
160.01697	2.6
164.04756	0.9
166.02684	1.7
167.03490	100.0
168.03845	1.5
171.02983	16.9
171.04466	0.6
173.00853	1.2
174.03227	0.4
175.03996	5.2
176.04791	0.4
178.02707	6.0
189.04010	1.7
189.05626	0.9
191.01889	0.5
191.03438	0.3
192.04300	2.7
193.05058	43.2
194.05316	0.5
197.00903	0.9
202.02670	0.3
207.06609	4.4
215.02007	7.3
217.08725	0.4
220.03818	0.4
233.02950	2.3
233.08067	0.4
235.06129	14.9
253.05017	1.4
261.03687	0.3
261.07611	2.8
279.02396	0.3
279.05182	3.8
297.06100	2.0
301.98993	0.3
320.39230	0.2
323.04132	5.0
323.07709	0.4
339.07257	4.8
341.05139	3.0
345.41632	0.3
349.05582	0.4
365.08719	2.0
367.06601	1.2
383.06180	6.8
395.40207	0.2
401.07217	3.7
409.07779	2.9
427.08670	1.8
517.10236	1.8
517.39105	0.3
553.48016	0.3
577.12054	2.4
721.32635	0.3
917.83575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
76.70937	0.4
77.33532	0.3
79.89845	0.3
81.03456	14.1
83.01385	17.1
84.02178	2.8
85.02950	81.7
86.03304	0.6
87.00845	0.3
89.00338	3.5
91.01898	1.5
93.03444	0.7
95.01385	1.6
97.02946	0.4
98.45329	0.3
99.00890	0.7
99.04514	25.3
101.02428	0.4
106.00605	2.4
109.02965	1.7
111.00884	37.9
119.05006	0.6
121.02955	48.4
123.00880	10.8
123.04556	0.7
125.02442	0.8
127.00359	2.2
127.04012	26.5
129.01936	36.4
130.02263	0.5
132.02184	0.4
134.03703	0.6
135.04544	0.6
136.98827	0.6
137.02423	2.1
138.03221	8.7
139.00377	5.3
139.03967	0.7
141.01918	0.5
147.03043	3.9
147.04553	1.7
149.02444	24.1
151.00409	0.6
152.01163	1.6
153.01997	0.7
153.05582	38.4
154.02744	0.6
154.99887	2.0
155.03496	0.4
156.43318	0.4
163.04037	1.8
164.04810	17.2
165.01868	0.6
165.05154	0.4
166.02612	0.6
166.99850	8.7
167.03505	2.2
169.05113	0.6
171.02998	19.9
173.00894	3.1
175.00377	0.6
179.03522	0.6
179.07082	2.9
182.02222	26.3
189.04114	0.7
190.02704	3.2
191.03566	0.4
193.01462	4.1
193.05055	1.3
196.03801	2.2
197.04573	100.0
198.04951	2.8
204.04214	0.4
205.05090	4.7
207.03017	0.4
208.03778	9.8
215.01962	7.0
222.05318	3.3
223.06151	43.8
224.06497	1.4
232.03738	0.5
233.02983	2.4
235.06207	0.4
237.07724	3.8
265.07211	15.4
266.07346	0.4
268.23495	0.4
271.06094	0.6
273.06119	3.3
291.08682	2.2
297.06238	1.4
309.06149	4.1
323.04031	0.4
327.07358	2.9
335.07776	0.5
341.05087	0.6
353.05222	4.6
369.08279	4.7
371.06137	2.2
395.09885	1.8
397.07794	0.4
413.07370	4.4
429.29944	0.4
431.08490	2.5
439.08658	2.6
441.10529	0.6
457.09854	1.5
541.46844	0.4
577.11786	1.5
637.13770	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	1079.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
75.84554	0.2
81.03458	8.1
83.01390	12.1
83.05011	0.8
84.02166	3.3
85.02952	100.0
86.03273	0.5
87.00859	0.9
89.00332	0.8
89.02438	2.8
89.03972	0.9
91.01879	0.4
91.60489	0.2
92.95660	0.2
93.03461	0.4
95.01340	1.4
97.02979	1.7
99.00883	5.0
99.04516	11.7
101.02444	5.1
102.02749	0.3
103.00371	0.2
106.00594	1.2
108.02156	0.3
109.02931	1.1
110.00088	0.7
111.00883	28.4
112.98813	0.3
113.02442	4.5
114.02740	0.2
116.44272	0.2
117.03442	3.0
119.03486	0.9
121.02950	15.7
123.00886	5.5
123.04505	1.0
123.08163	3.3
124.01647	0.8
124.08484	0.4
125.02438	2.2
125.99612	0.7
127.00362	1.7
127.04010	27.9
129.01939	24.6
131.03502	1.0
132.02180	0.5
133.02985	0.5
134.03737	45.5
135.04546	0.3
136.98817	1.5
137.02441	5.1
137.09724	1.1
137.99590	0.9
138.03227	6.8
139.00386	9.3
139.04022	2.4
143.03505	0.8
147.03001	5.3
147.04324	0.3
149.02460	0.7
149.04680	0.8
149.06081	8.5
150.03279	0.2
151.00375	0.4
151.03989	0.3
152.01192	0.3
152.04668	0.2
153.01927	1.3
153.05579	19.8
153.99071	0.4
154.02727	0.8
154.05907	0.2
154.99852	1.5
155.03485	0.8
159.02921	0.3
160.01659	3.5
160.06764	0.2
161.02451	0.8
161.04561	2.3
162.03278	0.2
162.04765	0.2
163.03981	0.4
163.11293	3.5
164.04805	0.4
164.11563	0.7
166.02692	1.3
166.99847	2.4
167.03511	2.0
170.70970	0.2
171.02988	11.7
173.00908	1.7
173.09760	0.3
175.04004	6.3
176.04594	0.3
177.01912	0.3
177.05577	0.3
178.01224	0.3
178.02727	7.6
179.03464	1.6
179.05682	0.2
179.07147	0.3
180.05867	0.2
181.01424	1.1
181.05089	0.4
182.02226	8.3
189.01974	1.0
189.04056	1.9
189.12866	5.0
190.02704	0.4
190.13159	1.4
191.01962	1.0
191.03558	0.8
191.05582	0.4
192.04266	0.3
193.05069	66.3
194.05597	1.0
196.03766	4.3
197.04572	41.4
198.04941	0.3
202.06273	0.4
202.69630	0.2
204.04224	0.4
205.05075	0.3
205.12457	0.3
206.05750	0.3
207.03033	1.9
207.06604	0.4
207.13934	5.7
208.03815	0.3
208.14285	2.5
215.02020	5.5
217.01411	1.0
217.08606	0.7
218.05785	0.3
219.06564	1.2
221.04587	0.2
221.08159	0.7
222.05370	6.4
223.06171	1.6
225.14941	0.9
232.03732	1.1
233.02977	2.4
235.02592	0.3
235.06161	0.8
237.04048	0.3
237.07715	7.8
237.10118	0.3
238.08109	0.2
250.04851	2.2
261.07678	4.0
265.07202	23.5
266.07544	0.3
291.04974	0.2
305.06680	0.8
307.08109	0.2
309.06192	7.7
323.07690	0.3
327.07233	3.3
349.05569	1.0
353.05258	2.2
365.08871	3.3
367.06848	1.1
369.08319	4.9
371.06329	2.7
409.02658	0.3
409.07852	6.5
410.07657	0.2
413.07224	3.6
427.08749	2.5
429.17270	0.4
431.08368	2.8
501.23227	0.4
502.23938	0.3
503.11658	0.3
519.24408	2.5
520.24921	2.3
521.25171	0.9
547.11096	4.0
559.23560	0.7
560.24176	0.3
561.25598	23.2
562.25958	18.6
562.33020	0.2
562.34998	0.4
563.17883	0.4
563.26178	8.3
607.12964	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	1079.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00869	9.7
79.05537	0.4
81.03455	0.4
83.01383	1.1
83.05018	0.9
85.02952	15.4
87.00871	4.8
89.02439	3.7
91.03976	0.3
93.03445	1.1
95.01387	3.5
95.05046	0.2
97.02943	0.3
99.00878	8.9
99.04509	2.5
101.02430	2.0
103.00357	2.1
109.02908	0.3
111.00876	1.0
111.04536	0.3
113.02451	21.7
114.02798	0.2
117.01934	2.0
119.05011	0.3
119.08671	1.2
121.06723	0.2
123.08202	0.4
125.02496	0.3
126.54395	0.2
129.01923	1.6
130.99904	0.3
131.03510	1.1
133.10280	0.3
135.08170	0.4
135.11794	1.2
137.09720	4.7
139.00371	0.3
141.00461	0.2
141.05502	0.2
142.85269	0.2
146.07404	0.2
149.04599	0.9
149.06223	0.2
151.00426	0.8
151.03970	0.3
157.01454	1.0
159.40483	0.2
161.04570	0.9
161.09750	2.8
163.07655	0.4
163.11305	0.4
167.03433	0.2
175.02493	1.9
179.10797	7.6
181.08725	5.4
187.07605	0.2
189.04097	0.4
189.12857	1.0
189.20470	0.2
192.38335	0.2
197.11867	5.8
205.07217	2.3
205.08864	0.4
207.05168	0.7
207.13997	1.4
223.09984	1.6
231.05080	1.6
237.04240	0.2
241.10869	1.1
249.06168	13.1
250.06609	0.2
253.05170	0.3
257.36514	0.2
267.07236	9.7
268.07477	0.2
269.04626	0.8
271.06213	1.9
272.06421	0.2
309.08286	3.9
322.13959	0.2
429.17621	0.4
447.18515	0.2
473.16788	0.8
491.17761	1.2
519.24402	0.3
551.85162	0.2
653.50671	0.2
671.35046	0.2
785.36383	1.0
825.43939	0.2
975.40796	1.5
993.41217	1.5
1017.41180	1.6
1035.42932	100.0
1036.42993	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	1079.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00863	4.3
83.01376	1.9
85.02944	12.1
86.00087	0.8
87.00864	4.9
87.04510	0.9
89.02433	5.1
95.01374	2.7
97.02937	0.6
99.00867	10.0
101.01764	0.3
101.02431	8.2
103.03991	1.9
111.00888	0.6
112.01630	0.7
113.02443	10.4
115.00340	0.3
115.03984	1.8
119.03482	1.5
125.02399	0.5
127.04028	0.2
129.01926	0.5
131.03494	3.3
139.00334	1.0
141.01956	0.2
143.03496	4.2
145.05063	0.7
157.01428	1.2
161.04509	1.0
163.06108	1.5
197.64491	0.1
205.07153	3.1
212.60172	0.1
217.88901	0.1
247.08153	0.1
344.40848	0.1
385.13971	0.1
391.30298	0.3
423.32770	0.2
437.34842	0.2
457.37149	0.6
475.37955	0.2
501.35822	0.2
519.55902	0.1
559.40076	0.5
615.39587	0.2
673.43329	0.5
717.41479	0.9
835.48969	0.2
860.69708	0.1
941.51306	0.2
967.52533	0.7
1025.53381	0.6
1041.51880	0.2
1043.54370	100.0
1044.54553	8.9
1097.55505	0.5
1115.55774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00858	5.6
81.03461	0.2
83.01387	2.3
84.02164	0.2
84.52863	0.2
85.02944	13.7
86.00095	0.9
87.00867	4.6
87.04507	1.5
89.02438	5.8
92.12400	0.8
95.01376	3.3
97.02962	0.4
99.00865	12.1
101.02430	8.4
103.04005	1.8
111.00878	0.4
112.01699	0.4
113.02439	12.9
114.02773	0.2
115.00353	0.2
115.04002	1.8
119.03481	1.5
125.02422	0.4
129.01926	0.3
131.03490	4.1
133.05002	0.2
139.00322	1.3
141.01900	0.4
143.03503	4.5
145.05089	1.0
157.01433	1.3
161.04559	1.1
163.06084	1.8
205.07140	3.5
205.08525	0.2
284.02618	0.2
391.29974	0.3
407.33774	0.2
457.37036	0.4
482.53836	0.2
483.38739	0.2
493.86404	0.2
547.78082	0.2
559.40485	0.8
615.39453	0.2
641.40088	0.2
717.42267	0.8
765.44238	0.7
766.44775	0.3
835.48718	0.4
941.51611	0.4
967.53168	0.9
968.52911	0.2
969.50665	1.0
970.51288	0.4
981.55560	0.4
1025.53638	0.4
1041.52563	0.7
1043.54370	100.0
1044.54712	7.3
1059.53809	1.0
1060.54578	0.4
1073.55200	0.4
1074.55518	0.3
1084.54712	0.4
1086.54028	0.2
1115.58228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	44.0
96.96963	10.1
119.80878	0.6
138.29854	0.6
139.48178	0.7
152.99585	54.3
158.31100	0.6
223.00179	0.8
241.01224	29.1
255.23326	77.2
256.23761	1.3
279.23450	1.0
311.16949	0.7
315.04898	6.1
391.22504	1.6
486.92804	0.6
571.28967	100.0
572.29401	1.6
741.00690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
74.68980	0.2
75.00457	0.2
75.00873	5.6
76.21336	0.2
77.59461	0.2
81.03438	0.3
83.01395	2.5
85.02952	13.3
86.00085	1.0
87.00873	5.5
87.04518	1.5
89.02443	5.8
95.01390	2.7
97.02944	2.6
98.11887	0.2
99.00880	9.7
101.02444	7.4
103.04011	1.9
111.00874	0.3
112.01653	0.7
113.02449	11.0
115.00392	0.3
115.04008	2.2
119.03497	1.5
125.02431	5.8
127.04023	0.2
129.01898	0.3
131.03497	4.2
136.91328	0.1
137.02397	0.2
139.00406	0.9
143.03510	4.7
145.05081	1.2
157.01416	1.0
161.04524	0.4
163.06099	1.3
205.07202	2.9
247.08333	0.2
248.52982	0.2
254.26419	0.2
594.12585	0.2
893.49084	0.8
967.77100	0.2
981.51422	0.3
1039.52979	0.2
1040.50562	0.2
1063.51172	1.6
1072.55176	0.2
1081.52258	100.0
1082.52527	5.6
1101.32483	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1082.6401
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	100.0
92.11755	0.5
96.96949	8.6
111.49674	0.4
132.49095	0.4
140.01146	0.4
152.99590	26.6
162.06143	0.4
171.00642	30.9
214.04781	0.6
214.81149	0.4
279.23239	0.6
404.25699	6.5
478.29434	93.6
479.29602	3.0
798.36774	0.5
915.25964	0.5
918.98431	0.5
1020.03668	0.5
1030.47168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00869	0.2
81.42331	0.1
82.48029	0.1
83.01012	0.1
83.01389	4.6
84.02169	1.7
85.02950	100.0
85.11330	0.1
86.03289	0.7
87.00880	0.8
89.00352	0.1
89.03973	0.2
90.55172	0.1
91.01883	0.1
92.12290	0.2
95.01399	0.2
99.00868	0.4
101.02429	1.1
103.00376	0.8
106.00597	0.2
109.02943	0.2
111.00882	12.7
111.76064	0.1
115.00372	0.4
117.03449	0.9
121.02955	4.7
123.00896	1.0
123.04539	0.2
125.02425	0.2
127.00345	0.2
129.01944	35.0
130.02261	0.1
133.01431	0.4
133.03067	0.1
134.03740	14.7
135.67273	0.1
136.98753	0.2
137.02452	0.5
138.03224	1.4
139.00407	1.6
139.03986	0.5
145.01476	0.5
147.03011	11.2
149.02504	0.2
149.06105	1.6
153.05586	5.1
154.99879	0.5
158.03720	0.1
160.01654	1.0
161.02464	0.1
166.02797	0.2
166.99887	0.7
167.03499	0.7
173.00925	13.2
175.04042	1.8
178.02776	0.8
181.01456	0.2
182.02211	2.0
189.01959	0.1
191.01994	11.9
192.02344	0.2
193.05067	12.8
194.05513	0.1
196.03816	0.6
197.04573	11.9
198.04974	0.1
207.03006	0.2
207.06659	0.1
209.03069	3.0
211.06201	0.3
218.05885	0.1
222.05299	0.9
223.06215	0.1
235.06125	0.2
237.07797	1.1
240.04208	0.1
250.04842	0.5
261.07739	0.8
265.04279	0.2
265.07169	3.8
265.09830	0.2
268.03806	0.1
269.04565	4.5
270.04913	0.2
270.20392	0.1
297.06128	0.2
305.06671	0.1
309.06296	0.7
323.07773	1.5
327.07269	8.7
341.05148	0.2
353.05206	0.7
354.48502	0.1
367.06744	15.0
368.07047	0.2
371.06250	8.2
385.07864	3.7
389.07288	10.2
397.07724	0.5
503.12531	0.1
547.10992	0.1
565.12067	4.9
566.12421	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	1083.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
78.82687	0.2
81.03462	7.6
83.01392	11.4
83.05077	0.2
84.02172	2.8
85.02955	100.0
86.03295	0.8
87.00874	0.3
89.00337	1.3
90.66663	0.2
91.01891	0.7
93.03452	0.4
95.01376	1.0
97.02951	1.4
97.45565	0.2
99.00892	0.9
99.04522	12.6
101.02460	0.8
103.00385	0.2
106.00614	1.1
109.02962	1.1
110.00111	0.6
111.00887	26.5
112.98784	0.4
116.56818	0.2
117.03512	0.3
119.05016	0.2
121.02955	24.0
122.00047	0.2
122.03304	0.3
123.00878	6.0
123.04528	0.2
124.01649	0.7
125.02439	1.8
125.99571	0.7
127.00391	2.0
127.04012	27.6
128.04379	0.2
129.01944	25.6
130.02269	0.3
132.02138	0.3
134.03741	1.0
135.04568	1.2
136.98761	1.5
137.02443	3.5
137.99611	0.8
138.03238	7.2
139.00374	10.6
139.04036	1.5
141.01892	0.3
145.01497	0.2
145.02954	0.3
147.03011	6.6
147.04518	2.1
147.79407	0.2
149.02449	32.3
150.02820	0.3
151.00346	0.3
151.03987	0.9
152.01158	1.6
153.01930	1.4
153.05585	20.8
153.99075	0.4
154.02721	1.2
154.99869	1.3
155.03484	0.9
161.02461	0.7
163.04010	2.0
164.04799	25.7
164.78836	0.2
165.01888	0.7
165.05170	0.4
166.02702	1.3
166.99872	3.3
169.05107	0.8
171.02992	10.8
173.00891	1.2
173.02306	0.4
175.00346	0.7
175.04025	0.2
177.01901	0.3
178.02711	0.2
179.03516	2.0
179.07141	3.8
181.01442	1.1
181.05052	1.0
182.02228	8.3
189.02164	1.5
189.03862	1.6
190.02713	1.9
191.01956	0.8
191.03529	1.4
192.04340	0.3
193.01451	4.2
193.05029	1.7
194.02319	0.2
194.05731	1.1
196.03796	4.8
197.01013	1.2
197.04573	38.9
198.04854	0.7
204.04297	1.2
205.05045	4.5
206.05847	1.3
206.58226	0.2
207.03017	2.7
208.03804	9.6
209.04190	0.2
209.08229	0.2
215.02013	5.0
217.01480	1.4
219.02957	0.2
219.06703	0.7
221.08208	1.0
222.05370	6.2
223.06152	58.6
224.06415	0.9
232.03712	0.8
233.02988	3.3
233.04738	0.2
235.02396	0.3
237.04019	0.4
237.07692	7.7
250.04791	1.8
263.09338	0.3
265.07205	24.7
266.07516	0.7
285.15909	0.2
291.05536	0.3
291.08755	2.9
292.64124	0.2
307.08148	0.3
309.06216	6.0
322.21048	0.2
327.07211	4.7
335.07623	0.4
353.05145	1.5
369.08328	4.4
371.06219	3.6
379.06436	0.7
395.09973	2.1
397.07733	1.3
413.07278	2.5
431.08301	3.0
439.08902	2.9
457.10010	1.9
534.77795	0.2
577.12238	1.6
637.13879	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00874	5.7
83.01386	1.8
85.02951	12.4
86.00091	1.0
87.00881	5.2
87.04508	1.6
89.02439	6.0
92.12371	0.3
93.80980	0.2
95.01394	3.3
97.02938	1.9
99.00874	9.6
101.02434	8.0
101.03072	0.4
103.04019	1.8
105.44641	0.3
110.56145	0.3
111.00883	0.3
112.01655	0.5
113.02446	11.1
115.00386	0.3
115.04015	2.1
119.03489	0.5
123.23402	0.3
125.02442	6.1
128.51939	0.2
131.03493	3.7
139.00365	1.1
141.01955	0.3
143.03505	5.1
145.05074	0.5
157.01447	0.4
161.04652	1.2
163.06165	1.3
163.78737	0.2
193.87784	0.2
198.53549	0.2
203.87941	0.3
205.07240	2.3
227.17543	0.3
230.38586	0.2
430.02560	0.3
436.57532	0.3
486.05161	0.3
710.85974	0.3
941.50409	0.4
969.50800	1.3
1024.51245	0.5
1065.52625	1.3
1083.53894	100.0
1084.54150	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	1085.554
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00867	14.0
83.01397	4.4
84.83376	0.6
85.02946	33.7
86.00092	1.3
87.00884	11.4
87.04498	3.9
89.02438	10.3
95.01373	5.5
97.02943	0.8
99.00874	42.9
100.01166	1.4
101.02438	13.4
103.04019	3.7
111.00877	1.1
112.01667	1.6
113.02446	32.0
115.04011	7.0
119.03513	1.0
125.02464	0.7
131.03519	13.3
139.00433	1.3
141.01944	16.7
141.09891	0.8
141.36240	0.7
143.03490	8.7
145.05090	0.8
157.01421	1.2
161.04601	0.9
163.06155	1.6
185.91145	0.8
205.07162	5.5
221.06555	1.4
228.35110	0.7
228.37308	0.7
292.40024	0.8
316.40240	0.7
744.52478	0.8
774.24023	0.9
911.50104	12.4
939.49817	17.7
941.51642	1.1
943.51910	1.5
970.51831	1.7
971.51318	5.2
986.50751	1.7
995.52295	28.8
996.51971	1.7
1053.53125	25.9
1054.53210	3.8
1067.54395	6.3
1068.54578	8.0
1069.54871	6.7
1070.55286	3.9
1084.53564	3.7
1085.55237	100.0
1086.55835	9.7
1100.54395	2.8
1101.53699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00458	0.4
75.00868	9.1
81.68879	0.1
83.01385	2.8
84.02168	0.2
85.02950	19.7
86.00093	1.6
86.03248	0.2
87.00347	0.3
87.00872	8.4
87.04512	2.9
89.02439	8.2
95.01387	3.1
97.02935	0.7
99.00877	12.4
99.04479	0.3
101.02435	8.8
103.04006	1.9
111.00883	0.4
112.01659	0.6
113.02446	17.1
115.00344	0.8
115.04005	4.1
119.03470	0.9
122.62910	0.2
125.02417	0.7
127.03967	0.2
131.03499	10.0
139.00362	1.1
143.03510	8.3
145.05045	1.1
154.29779	0.2
157.01401	1.3
161.04585	0.3
163.06133	1.1
205.07211	4.1
224.80876	0.2
247.08257	0.4
272.17355	0.2
318.78418	0.2
461.34424	0.2
521.36639	0.7
541.39044	1.0
699.41260	0.7
995.52319	46.0
996.52979	2.4
1038.54846	0.4
1039.53601	1.3
1067.54773	0.9
1083.53943	0.8
1084.53955	2.2
1085.55334	100.0
1086.55627	6.8
1087.55432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00868	5.5
75.01295	0.2
81.03439	0.1
83.01384	2.2
84.02168	0.2
85.02948	12.6
86.00105	1.2
87.00871	5.7
87.04505	1.6
89.01875	0.2
89.02436	5.2
95.01379	3.1
96.99294	0.4
97.02935	0.6
99.00874	8.4
99.04517	0.3
101.02435	7.2
103.04012	2.0
111.00869	1.8
112.01640	1.0
112.98853	0.1
113.02442	9.3
114.42353	0.1
115.00362	0.4
115.04011	2.6
119.03461	1.1
125.02434	0.4
127.04004	0.2
129.01936	1.9
131.03494	4.0
131.04497	0.1
137.02405	0.1
139.00378	0.9
141.01961	0.1
143.03502	4.8
145.05028	0.9
147.79445	0.1
157.00328	0.1
157.01436	0.8
159.47734	0.1
161.04575	0.7
163.06099	1.3
205.07178	2.7
223.64024	0.1
247.08284	0.3
260.55322	0.1
267.27518	0.1
310.20761	0.1
367.12796	0.1
391.30188	0.2
408.55234	0.1
457.37085	0.2
465.12225	0.1
569.38226	0.1
581.38947	0.2
751.49292	0.1
759.43500	0.5
762.27283	0.1
772.08539	0.1
780.43298	0.1
879.51752	0.2
939.48932	0.3
991.52887	0.2
1023.54022	0.1
1025.53259	0.8
1039.16418	0.1
1067.54773	1.5
1085.55359	100.0
1086.55469	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	1085.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00868	9.2
75.01271	0.4
83.01381	3.0
84.02108	0.2
85.02948	20.7
85.03652	0.6
86.00092	1.8
87.00871	9.5
87.01636	0.2
87.04515	2.8
89.02439	8.4
95.01381	3.7
97.02843	0.7
99.00873	14.8
99.04455	0.2
101.02434	9.7
102.02753	0.1
103.03997	2.1
109.44321	0.1
111.00771	0.6
112.01674	1.3
113.02444	18.0
114.02702	0.3
115.00278	0.5
115.03994	4.3
119.03502	0.9
121.02950	0.1
125.02345	0.5
127.03901	0.2
129.01837	0.8
131.03488	11.7
131.92056	0.1
132.03725	0.1
136.67955	0.1
138.23990	0.1
139.00368	1.2
143.03500	9.0
145.05070	1.6
149.04335	0.1
157.01416	1.4
161.04500	0.3
163.06120	1.9
185.80801	0.1
189.03986	0.2
191.05540	0.1
205.05429	0.3
205.07179	5.2
220.35791	0.1
238.41541	0.1
247.08163	0.3
256.06052	0.1
277.09174	0.1
277.17056	0.1
289.69171	0.1
331.75671	0.1
432.85587	0.1
441.73975	0.2
509.36224	0.3
515.22119	0.2
521.36334	0.8
541.38965	1.1
699.41205	0.6
750.41479	0.2
789.43939	0.2
941.49438	0.1
945.31012	0.2
977.51550	0.6
995.52301	46.4
996.52454	3.6
1023.52155	0.9
1024.51477	0.3
1025.51624	1.6
1067.55334	0.8
1085.55359	100.0
1086.55713	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	1085.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00871	6.0
81.03460	0.1
83.01387	2.4
83.47859	0.1
84.02163	0.2
85.02950	13.0
86.00098	1.1
87.00872	5.4
87.04511	1.4
89.02438	5.2
95.01379	3.3
96.99291	0.7
97.02912	0.6
99.00875	8.9
99.04527	0.1
101.02436	7.8
103.04013	1.9
109.02935	0.1
111.00882	1.5
112.01659	0.7
112.98870	0.1
113.02447	9.9
115.00377	0.4
115.04008	2.7
119.03492	1.2
125.02449	0.5
127.03990	0.3
129.01935	2.0
131.03491	4.4
131.04485	0.1
139.00357	1.0
143.03500	4.8
145.05069	1.0
151.55029	0.1
157.01411	0.7
161.04541	0.7
163.06088	1.4
173.82301	0.1
205.07178	2.5
228.83263	0.1
247.08218	0.1
266.37732	0.1
298.71313	0.1
354.35114	0.1
391.29803	0.1
407.33429	0.1
409.34656	0.1
457.36938	0.2
581.38623	0.1
642.27112	0.1
695.42737	0.1
719.11963	0.1
741.42334	0.1
748.04364	0.1
759.43878	0.4
879.51465	0.4
939.48846	0.2
991.53046	0.3
995.52692	0.1
1025.53284	0.5
1067.54089	1.8
1085.55396	100.0
1086.55725	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	1086.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00793	8.9
75.01244	0.6
81.79130	0.3
83.01287	2.3
85.02945	18.0
85.03410	1.0
86.00011	1.6
86.03209	0.8
86.26717	0.3
87.00870	8.0
87.04420	1.9
89.02431	5.4
92.12299	0.4
95.01281	2.2
97.02856	0.4
99.00876	11.9
100.01167	0.4
101.02432	5.7
103.03916	2.2
111.00769	2.2
112.01669	0.5
113.02451	15.4
113.03180	0.8
114.02712	0.8
115.03995	3.4
119.03441	0.4
125.02361	0.7
129.01930	5.3
130.02174	0.3
131.03490	9.7
139.00288	0.6
143.03505	7.2
144.03734	0.4
145.04950	1.5
150.34512	0.4
157.01329	1.5
163.05988	1.7
205.07153	3.8
206.07474	0.4
209.77559	0.3
569.38757	0.4
572.89923	0.4
584.23419	0.4
622.44354	0.4
784.41052	0.4
996.51874	1.4
1023.51825	100.0
1024.52039	9.1
1025.52478	9.1
1026.52686	25.0
1047.47534	0.4
1053.57446	0.4
1085.55750	3.1
1086.55273	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	1087.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03464	4.3
83.01385	9.1
84.02170	2.4
85.02951	100.0
86.03280	0.4
87.00900	0.6
89.00338	0.4
91.01915	0.3
93.03440	0.6
93.46088	0.2
97.02929	1.0
97.87819	0.3
99.00876	0.4
99.04512	8.8
101.02399	0.4
106.00611	0.5
106.86835	0.3
109.02943	0.9
110.00138	0.3
111.00883	19.6
121.02063	0.4
121.02951	15.1
123.00881	4.1
125.02435	3.5
127.00362	1.5
127.04010	18.2
129.01938	21.2
135.04518	0.4
136.98811	1.0
137.02437	1.9
138.03224	6.0
139.00383	7.9
139.01376	0.5
139.04068	1.4
141.01970	0.4
147.03018	8.2
147.04338	0.7
149.02454	17.8
151.00369	1.3
153.01953	1.0
153.05579	16.5
153.06848	0.3
154.02708	0.5
154.99873	1.4
155.03513	0.4
162.03142	0.3
163.04022	1.0
164.04819	14.0
166.02727	1.2
166.99905	2.1
171.03000	8.0
173.00932	1.9
175.00363	0.5
177.01936	0.3
178.02718	0.3
179.03535	1.8
179.07162	1.9
181.01469	0.5
181.05113	0.6
182.02243	5.6
189.01996	1.4
189.04059	3.2
190.02708	2.1
191.02019	3.4
191.03500	0.8
193.01437	0.4
193.05109	1.3
194.05862	0.4
196.03815	3.1
197.04578	33.5
198.04901	0.3
204.04285	0.4
205.05060	2.8
206.05782	0.4
207.03012	2.0
207.06721	0.2
208.03857	2.5
215.02022	3.4
217.01558	1.4
219.06770	0.5
221.04605	0.3
222.05354	6.8
222.07425	0.3
223.06155	25.1
232.03954	0.9
233.03040	17.6
235.02440	0.3
237.07707	6.1
247.06204	0.3
247.09785	0.4
250.04900	1.5
251.04028	0.6
259.06180	1.9
265.07199	17.9
269.04547	1.3
291.05560	0.6
291.08820	3.2
309.06216	4.3
327.07272	4.7
353.05246	1.5
369.08325	6.1
371.06256	12.4
371.10980	0.5
395.09818	2.0
397.07910	0.4
413.07300	3.2
431.08417	7.5
439.09082	1.7
445.64569	0.3
449.11053	1.3
450.11063	0.3
457.10196	1.4
515.75897	0.3
577.12170	0.3
637.14667	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	1087.6192
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	12.0
80.42862	0.1
96.96967	1.1
134.98521	0.1
146.41696	0.1
150.97997	0.3
152.99583	28.1
153.99869	0.1
168.34303	0.1
171.00621	1.2
227.03288	3.4
233.21106	0.1
237.22075	0.3
245.04309	0.7
255.23320	100.0
256.23657	2.2
390.66168	0.1
391.22528	0.4
483.27332	71.0
484.27692	1.8
935.53015	0.1
1127.01160	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	1087.6186
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	10.2
92.11691	0.8
92.83325	0.2
96.96932	1.0
104.64316	0.2
105.19750	0.2
113.51299	0.2
134.98529	0.3
152.99588	25.4
171.00636	1.2
219.11694	0.2
227.03291	3.3
228.80194	0.2
237.22224	0.3
245.04309	1.1
255.23311	100.0
256.23651	1.6
263.07990	0.2
391.22778	0.2
397.75415	0.2
483.27338	69.0
484.27542	1.0
589.28394	0.2
820.53143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
76.42056	0.2
78.01080	0.2
79.01889	0.2
81.03448	14.0
83.01381	15.3
84.02148	2.2
85.02944	54.7
86.03305	0.3
87.00874	0.2
89.00326	2.6
91.01881	1.0
92.12458	0.3
93.03440	0.9
95.01375	1.4
97.02917	0.9
99.00868	1.0
99.04507	20.9
101.02438	0.3
106.00597	2.2
109.02933	1.0
111.00874	32.8
112.01167	0.2
112.98788	0.2
117.03446	0.3
119.05025	0.3
121.02943	46.8
122.03279	0.3
123.00861	9.1
125.02428	1.2
127.00352	1.8
127.03999	28.2
128.04372	0.2
129.01927	28.8
130.02310	0.3
135.04514	0.7
136.98808	1.3
137.02463	1.4
137.99475	0.2
138.03220	8.0
138.99477	0.2
139.00365	5.2
139.03986	0.8
147.03008	2.6
147.04416	1.7
149.02438	21.7
150.02782	0.3
151.04048	0.2
152.01131	1.2
153.01945	0.9
153.05569	37.1
154.02708	0.8
154.05916	0.4
154.99867	1.7
163.04022	1.6
164.04785	17.3
165.01903	0.9
165.05103	0.3
166.02689	0.3
166.99850	7.1
167.03471	0.2
169.05020	0.4
171.02983	16.6
172.03354	0.2
173.00945	1.7
175.00354	1.1
177.01897	0.3
179.03432	0.4
179.07170	3.4
181.01479	0.7
181.05077	0.4
182.02206	24.2
183.02487	0.3
189.01979	0.7
189.04037	1.4
190.02718	3.2
191.01933	0.3
191.03458	0.7
193.01418	3.4
193.05037	0.3
194.05823	0.3
196.03725	1.6
197.04558	100.0
198.04897	1.4
204.04277	0.2
205.05042	4.5
206.05586	0.3
207.03027	0.8
208.01808	0.3
208.03780	8.0
215.01988	6.3
217.01468	0.2
219.06551	0.2
221.08139	0.2
222.05318	3.1
223.06123	42.1
224.06432	1.1
232.03743	0.7
233.02847	2.0
237.07683	3.9
248.06956	0.3
250.04823	1.1
263.09329	0.3
265.07178	14.6
285.36575	0.2
291.05463	0.4
291.08636	3.2
309.06192	3.9
327.07193	1.9
335.07516	0.3
353.05136	5.0
353.08847	0.2
369.08249	4.0
371.06250	2.3
379.06631	0.2
387.09006	0.2
395.09836	1.6
397.07700	1.0
413.07312	5.1
431.08316	2.7
439.08923	2.0
457.09909	1.2
577.11725	1.1
637.14264	1.4
711.89563	0.2
850.43799	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
80.54629	0.9
83.01370	1.0
85.02467	1.2
85.02950	22.3
86.00078	1.5
87.00870	8.1
87.04515	1.4
89.02417	6.7
92.11711	3.9
95.01384	5.0
97.03040	1.0
99.00874	29.0
101.02425	8.4
113.02441	21.8
115.03995	4.4
125.02402	1.2
131.03485	13.1
139.00356	1.8
141.01939	12.4
143.03508	11.5
145.05003	1.1
157.01393	1.1
163.06168	1.4
191.01964	1.1
205.07156	6.6
300.07623	0.9
506.74924	1.1
523.20667	1.0
529.51599	0.9
689.30597	1.6
823.41351	1.2
879.47662	3.4
911.50171	5.6
939.49475	23.3
957.08679	1.0
1019.66644	1.1
1029.52966	50.1
1030.51965	1.8
1053.52771	100.0
1054.52454	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	1089.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
81.63747	0.6
83.01394	2.0
85.02953	24.6
86.00069	0.7
87.00871	7.5
87.04518	1.8
89.02445	5.4
92.66273	0.5
95.01384	3.0
97.02966	0.7
99.00882	37.4
101.02448	3.7
103.04009	2.4
111.00861	0.6
112.01677	1.8
113.02460	24.6
113.03252	0.8
115.04013	2.4
116.17609	0.4
119.03491	0.5
125.02422	1.8
131.03499	9.0
141.01952	13.4
143.03506	5.9
145.05055	0.5
157.01427	1.1
163.06133	0.9
191.05614	0.5
194.21698	0.5
205.07208	3.0
278.68155	0.5
318.92401	0.5
328.99841	0.5
351.78311	0.5
441.61856	0.6
691.55200	0.6
911.50055	9.3
939.49609	28.0
940.50244	1.1
981.51361	2.9
982.50519	1.9
1023.51868	4.9
1024.51892	4.7
1025.53076	1.8
1053.52856	100.0
1054.53125	6.7
1089.56287	0.7
1109.55188	5.3
1110.56128	3.6
1111.54871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.501
Annotation	Unknow
Peak:m/z	Relative Intensity
78.30061	0.4
81.44994	0.4
83.01389	1.8
85.02941	15.5
86.00082	1.8
87.00858	6.5
87.04505	2.6
89.02442	5.3
89.54330	0.3
92.12486	1.0
95.01373	5.9
97.02935	2.5
99.00868	16.6
101.02441	5.0
103.03987	1.9
111.00884	0.7
112.01662	0.7
113.02441	15.4
115.03996	3.8
119.03464	0.8
121.70100	0.4
123.00871	3.2
125.02435	5.8
130.64726	0.5
131.03481	9.6
139.00323	1.9
141.01956	2.2
143.03497	7.9
145.05089	1.7
157.01414	1.7
163.06166	1.0
186.28029	0.4
195.51968	0.4
205.07150	6.4
244.57153	0.5
436.29483	0.5
766.07422	0.4
791.45831	1.7
895.47723	1.5
911.49933	0.6
917.54675	0.5
939.50574	0.6
983.52448	0.7
1013.52307	2.2
1035.51721	31.3
1036.51489	1.0
1053.52856	100.0
1054.52539	5.5
1089.54431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03446	0.1
83.01382	1.7
85.02945	11.0
86.00093	0.9
86.03258	0.1
87.00868	4.4
87.04498	1.2
89.02435	4.6
92.12425	0.3
95.01378	2.5
96.99289	0.2
97.02952	0.6
99.00868	7.5
99.04504	0.1
101.02432	6.7
103.04008	1.5
109.02941	0.1
111.00864	1.4
112.01646	0.7
112.98798	0.3
113.02440	9.0
114.02774	0.1
115.00381	0.2
115.04006	1.8
119.03477	1.3
125.02454	0.5
127.03993	0.4
129.01926	3.6
131.03496	3.9
131.04503	0.1
139.00331	0.8
141.01855	0.1
143.03499	4.6
145.05104	0.9
157.01434	1.0
161.04550	0.7
163.06129	1.3
205.07187	2.9
233.06699	0.1
257.06738	0.1
268.09955	0.1
406.09949	0.1
458.99481	0.1
473.39105	0.1
505.62729	0.1
537.35876	0.1
549.36328	0.1
568.26758	0.1
569.38702	0.4
727.41083	0.4
991.52539	0.3
994.50818	0.1
998.54041	0.1
999.53784	0.1
1035.51636	0.7
1037.55872	0.1
1051.54846	0.1
1053.52832	100.0
1054.53064	6.6
1088.56750	0.1
1089.57263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1090.6214
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	41.0
96.96953	10.3
99.95816	0.1
134.98538	0.4
150.98007	0.7
152.99586	56.3
153.99879	0.1
171.00638	0.6
179.05615	0.2
209.73567	0.1
223.00148	2.1
241.01199	32.0
242.01619	0.2
255.23312	84.3
256.23639	2.0
259.02191	0.8
279.23291	0.1
315.04901	9.5
333.05960	0.4
391.22617	2.0
401.31345	0.1
409.23215	0.2
571.28961	100.0
572.29260	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	1091.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03453	0.6
83.01395	2.3
84.37487	0.4
85.02953	15.4
86.00101	0.8
87.00876	7.1
87.04499	0.8
89.02448	4.8
95.01381	2.0
97.02955	0.5
99.00877	15.5
99.04488	2.1
101.02429	4.4
103.04006	2.2
111.00901	1.8
112.01669	1.0
113.02459	14.2
114.39072	0.4
115.04015	2.3
119.03500	0.6
122.89547	0.4
125.02420	0.5
129.01927	0.5
131.03497	8.0
132.31322	0.4
139.00349	0.9
143.03484	4.8
145.05046	0.7
157.01443	1.8
163.06113	1.0
163.22214	0.4
173.05663	0.4
184.28801	0.5
205.07196	3.8
365.11169	0.5
381.29785	0.4
483.38559	0.6
527.37329	0.4
911.50848	0.6
937.51373	1.6
938.55176	0.6
944.71185	0.5
1053.54089	0.5
1055.54407	100.0
1056.54834	8.8
1072.60913	0.5
1081.52942	1.7
1082.52039	1.6
1083.54309	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	1091.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01402	3.1
85.02946	16.0
86.00092	0.5
87.00857	2.6
89.02441	9.5
93.44674	0.4
95.01365	4.6
99.00874	8.6
101.02437	12.4
111.00837	0.5
112.01618	0.9
113.02441	14.6
119.03494	3.8
121.02953	0.5
131.03493	5.1
139.00366	2.5
143.03503	1.9
157.01428	0.6
159.02995	0.8
161.04547	8.8
179.05634	2.3
221.06676	8.2
237.36990	0.4
387.24957	0.4
400.95880	0.5
441.33844	0.8
489.36261	0.5
651.40961	0.7
925.48175	0.5
969.90552	0.4
1001.48541	0.8
1013.49200	0.5
1031.50745	100.0
1032.50757	7.4
1091.56665	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	1093.536
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01393	2.0
85.02956	12.0
86.00105	1.1
87.00877	4.6
87.04518	1.2
89.02452	4.5
95.01392	2.3
97.02959	0.4
99.00881	7.0
99.04501	0.2
101.02444	7.0
103.04012	1.9
103.84338	0.1
111.00903	0.3
112.01672	0.4
113.02452	8.9
115.00356	0.2
115.04021	1.6
119.03480	1.1
125.02464	0.3
130.06261	0.2
131.03500	3.3
135.11569	0.1
139.00391	0.9
143.03514	4.1
145.05092	0.8
157.01427	1.0
158.53188	0.2
161.04584	1.0
162.11667	0.2
163.06102	1.5
205.07210	2.5
234.90930	0.2
245.84238	0.2
332.05270	0.2
407.33548	0.2
553.39691	0.3
573.41675	0.2
611.02997	0.2
615.90149	0.2
649.42322	0.2
711.05078	0.2
731.44019	0.2
1039.54456	0.6
1055.53479	0.3
1057.55981	100.0
1058.56165	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	1093.6476
Annotation	Unknow
Peak:m/z	Relative Intensity
76.60699	0.1
78.95901	18.4
79.79956	0.1
81.09419	0.1
83.05022	0.1
96.96955	0.2
122.98534	0.4
134.98543	0.1
152.99588	3.8
168.04341	4.4
171.00743	0.1
194.05977	0.1
216.07945	0.1
224.06966	11.8
233.22797	0.7
242.08037	2.8
259.20667	0.6
259.57126	0.1
269.35321	0.1
275.20251	0.5
277.21747	100.0
278.19302	0.2
278.22083	2.7
502.29480	82.3
503.29755	2.5
517.25995	0.6
576.33154	2.8
608.05133	0.1
1037.19446	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
82.55107	0.2
83.01384	1.5
85.02950	12.1
85.52477	0.2
86.00093	0.3
87.00873	4.5
87.04511	1.6
89.02443	5.1
93.00751	0.3
95.01388	2.4
96.96039	0.2
97.02945	0.4
99.00877	7.4
101.02438	9.9
103.04002	2.3
111.00878	0.3
112.01618	0.5
113.01713	0.4
113.02448	8.4
115.04015	1.5
119.03515	1.7
125.02428	0.3
131.03499	3.7
139.00412	1.6
143.03502	4.4
145.01459	0.9
145.05078	0.6
152.46201	0.2
157.01453	0.6
158.36613	0.2
159.03001	1.6
161.04555	1.6
163.02469	1.9
163.06131	3.5
170.65935	0.2
191.01979	1.8
193.01395	0.2
194.77315	0.3
205.07193	4.7
217.08972	0.3
224.14178	0.2
247.08229	0.6
455.35355	0.3
583.36279	0.5
639.24500	0.3
672.39581	0.3
684.74390	0.3
707.31415	2.5
719.31506	1.8
738.29077	0.3
758.17511	0.3
765.44598	0.4
853.43146	1.4
855.43884	1.0
909.48700	4.5
923.50531	0.4
924.51483	0.4
939.50421	1.9
943.53400	0.3
956.49921	0.3
969.50220	0.8
1059.53870	100.0
1060.54248	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	1097.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
76.89372	0.1
79.01846	0.1
81.03455	5.8
83.01386	15.6
83.05034	0.2
84.02159	1.8
85.02950	56.0
86.03266	0.5
87.00862	0.7
89.00321	0.2
89.03986	0.2
91.01884	3.8
93.03450	5.0
95.01384	0.7
97.02925	0.3
99.00861	0.7
99.01691	0.1
99.04517	8.5
101.02439	0.2
103.00366	0.2
107.01388	17.0
108.01444	0.3
108.02177	6.7
108.99308	0.2
109.02978	1.2
111.00880	20.3
116.66708	0.1
117.03453	2.2
119.05018	35.4
120.05315	0.2
121.02947	4.8
123.00880	1.6
123.04520	17.7
124.01645	1.3
124.04799	0.1
125.02440	4.4
127.04008	11.4
129.01935	20.7
132.02194	0.3
133.02956	0.7
134.03735	18.1
135.04465	0.2
136.01666	0.2
137.02444	1.5
138.03214	0.3
139.00352	0.6
139.04010	0.5
141.01984	0.1
143.05020	1.1
145.02956	4.8
147.02997	4.9
147.04323	0.2
147.04614	0.2
149.02435	1.6
149.06081	2.7
150.03168	0.3
151.00374	74.3
152.01167	11.6
153.01903	0.2
153.05568	3.6
154.99890	0.5
157.06529	0.6
160.01674	2.0
161.02432	0.2
161.06128	1.0
163.04044	0.5
164.01144	0.2
164.04785	0.9
165.00522	0.2
165.01921	6.8
165.03247	0.3
166.02635	0.8
167.03496	44.7
168.03859	0.8
169.01428	6.6
171.03001	6.6
173.00903	3.9
173.02382	0.3
173.06091	0.2
174.03218	0.2
175.00713	0.1
175.04010	4.3
176.04761	0.2
177.01924	5.8
178.02719	3.5
179.10745	0.3
181.05103	0.2
182.02226	0.8
184.05232	0.2
185.06076	3.2
186.06390	0.1
187.04005	3.0
189.04050	0.8
190.02672	0.3
191.01978	4.4
191.03548	0.3
191.07033	0.2
192.04247	1.1
193.01422	1.0
193.05064	21.4
194.05409	0.5
197.00932	0.7
197.04564	7.6
197.05972	0.3
197.11794	0.2
199.07672	0.6
202.02817	0.2
202.06464	0.2
203.07112	0.2
207.03076	0.1
207.06621	2.0
209.03052	0.6
209.06081	0.2
212.04880	0.1
215.01971	2.3
218.05878	0.2
220.03862	0.2
223.06065	0.5
227.07133	4.8
229.05115	0.2
233.02977	0.7
233.08223	0.6
235.06108	5.4
237.07861	0.2
241.10896	0.2
253.05080	1.7
261.07648	1.5
265.07169	1.3
267.06625	0.3
268.03787	0.2
269.04483	1.0
271.06146	100.0
272.06488	2.5
279.05072	2.2
283.06113	0.6
283.11884	0.2
295.06259	0.1
297.06140	0.9
305.06564	0.2
323.04080	2.0
323.07745	0.8
327.07193	1.7
339.07147	1.8
341.05167	1.3
349.05850	0.2
355.02512	0.2
355.06760	4.5
356.36469	0.1
365.08817	1.0
367.06686	2.1
371.06235	4.9
383.06195	2.7
385.07822	0.3
389.07364	1.7
401.07581	1.3
409.07843	1.0
427.08704	0.9
433.11484	1.0
449.10535	0.1
467.15005	0.1
475.12524	55.8
476.12814	3.0
482.87903	0.2
517.09882	0.9
519.11279	1.5
520.10095	0.2
533.18915	0.3
565.11859	1.0
565.21027	0.4
577.12201	1.5
717.28094	0.1
769.88232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	6.1
84.02170	2.3
85.02955	100.0
86.03306	0.4
87.00880	1.2
89.00342	0.8
98.47963	0.2
99.04504	0.2
101.02455	0.3
103.00356	0.4
106.00620	1.1
111.00893	14.3
115.00376	0.3
121.02957	16.3
123.00883	1.6
125.02452	0.5
127.00362	0.4
127.04018	0.3
129.01945	24.2
130.02203	0.2
134.03761	0.3
137.02495	0.3
138.03236	1.9
139.00406	1.0
139.04041	0.4
147.03014	12.6
147.04221	0.5
149.02458	8.9
149.03575	0.4
152.01186	0.5
153.05582	14.6
163.04036	0.4
164.04802	6.5
166.99811	0.4
167.03575	0.2
173.00905	10.3
173.02113	0.4
175.00360	0.8
177.01924	0.5
179.07066	1.7
182.02242	3.5
187.35059	0.2
189.79901	0.2
190.02768	3.7
191.01997	6.7
191.03517	0.5
193.01463	0.9
193.05077	0.4
196.03975	0.3
197.04579	32.1
198.04929	0.3
205.05066	5.7
207.03125	0.4
207.06732	0.3
208.03813	2.6
209.03108	1.2
217.05054	0.3
221.08287	0.3
222.05392	0.8
223.06140	7.9
233.04649	0.8
237.07675	1.0
248.06876	0.4
250.04971	0.3
253.05128	1.4
254.05399	0.3
263.09412	0.4
265.07248	4.3
284.03448	0.2
291.08780	3.0
309.06223	0.3
327.07278	7.4
353.05035	0.4
353.08847	4.1
371.06244	25.7
372.06653	1.0
379.06763	0.3
389.07303	5.0
397.07831	5.5
415.08911	2.3
480.40091	0.2
501.96915	0.2
503.83157	0.3
523.55908	0.2
594.15686	0.2
595.13245	5.1
596.13702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
76.98501	0.1
83.01389	5.5
84.02161	2.1
85.02950	100.0
86.03300	0.7
87.00862	0.9
89.00329	0.1
91.01886	0.1
91.79237	0.1
92.12316	0.2
93.03497	0.2
99.00891	0.2
101.02435	0.6
103.00355	1.0
105.02264	0.1
106.00599	0.2
111.00882	12.8
112.98700	0.1
115.00372	0.2
117.03435	0.1
119.05030	0.1
121.02951	6.7
121.55885	0.1
123.00886	1.1
124.01638	0.2
127.00390	0.2
129.01938	33.1
132.02214	0.2
135.04546	0.3
136.98802	0.2
137.02390	0.3
138.03223	1.4
139.00356	1.7
139.04008	0.7
145.01421	0.7
147.03006	10.4
147.04454	0.6
149.02452	11.0
152.01207	0.2
153.01976	0.2
153.05579	5.4
153.30435	0.1
154.02713	0.2
154.99857	0.7
163.04018	0.1
164.04797	9.1
166.99884	0.7
173.00914	13.6
175.00398	0.2
179.03598	0.1
179.05803	0.1
179.07149	1.3
182.02208	2.0
190.02693	1.1
190.83238	0.1
191.01991	7.5
191.03424	0.3
193.01414	0.6
193.05069	0.2
196.03787	0.6
196.77020	0.1
197.04585	9.8
198.04941	0.2
205.05110	1.5
207.02998	0.6
208.03833	1.6
209.02997	1.4
211.06142	0.5
217.01501	0.2
219.06551	0.2
222.05327	1.2
223.06157	12.5
237.07655	1.0
250.04903	0.2
253.05090	4.4
265.07205	4.1
291.08694	1.0
299.96399	0.1
309.06198	0.6
315.81470	0.1
327.07263	10.2
341.08575	0.1
353.05032	0.5
353.08862	1.2
353.75104	0.1
371.06256	5.9
371.10962	0.2
389.02567	0.2
389.07352	4.8
397.07813	15.1
398.08075	0.2
415.08936	3.3
457.85034	0.1
595.13086	3.1
777.90790	0.2
866.78058	0.1
942.05096	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	1097.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
81.04147	0.5
83.01371	2.5
84.84334	0.4
85.02947	10.3
85.11162	0.5
87.00864	3.1
89.02445	7.9
89.27680	0.6
95.01372	4.5
97.02953	4.3
99.00881	13.0
101.02441	10.0
101.73984	0.6
106.30768	0.5
113.02446	13.0
115.00387	0.6
119.03466	2.5
122.32226	0.5
125.02431	12.7
139.00340	0.7
143.03529	0.9
157.01421	0.8
161.04527	2.6
559.64398	0.6
835.45203	1.1
920.38763	0.7
1097.51770	100.0
1098.51941	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	1097.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03436	0.2
83.00963	0.1
83.01383	1.3
84.02180	0.1
85.02944	12.9
86.00092	1.3
87.00866	6.0
87.04499	1.5
89.02438	3.5
95.01373	2.1
97.02936	2.8
99.00870	8.3
99.04511	0.3
101.02434	3.3
103.04000	1.2
111.00867	0.2
112.01662	1.0
113.02438	11.5
115.00348	0.4
115.03993	2.8
119.03468	0.6
125.02424	5.7
126.34326	0.1
127.04028	0.2
129.01924	0.2
131.03488	7.3
139.00337	0.7
139.87073	0.1
141.02036	0.1
143.03493	5.7
145.05066	1.5
157.01443	1.1
163.06104	1.2
205.07172	4.1
206.68727	0.1
282.31989	0.1
436.61954	0.1
463.36310	0.1
535.37817	0.1
563.37567	0.2
583.40167	0.8
741.43225	0.2
770.43182	0.1
937.51685	0.5
1019.51923	0.2
1037.53308	100.0
1038.53418	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	1097.5542
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	4.1
84.02084	0.5
84.37247	0.5
84.84409	0.5
85.02949	22.0
86.00080	2.6
87.00871	10.2
87.04509	2.8
89.02428	6.6
95.01401	4.8
97.02946	2.1
99.00871	17.8
99.04528	0.6
101.02431	13.0
103.04008	3.3
111.00864	0.7
113.02449	18.7
115.04003	5.2
119.03474	2.4
125.02449	4.9
127.00359	1.1
127.04018	0.7
129.01915	6.7
131.03488	12.1
139.00331	0.7
141.88663	0.6
143.03513	9.1
145.05127	2.3
148.12798	0.5
157.01428	1.2
161.04630	0.8
163.06061	4.1
205.07178	7.3
247.08212	1.3
261.86227	0.5
320.08160	0.7
367.12735	1.2
395.12094	0.7
525.43964	0.7
551.37598	2.7
634.32361	0.7
669.40656	0.8
967.51489	0.8
968.49872	0.7
1023.54150	0.9
1037.53381	100.0
1038.53455	7.9
1079.54187	3.1
1097.55420	96.3
1098.54980	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	1097.6789
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	4.3
96.96918	0.1
102.87823	0.1
152.99565	1.3
168.04323	1.4
171.00557	0.1
197.68124	0.1
221.25665	0.1
224.06960	1.0
242.08017	2.5
261.22263	0.6
265.87399	0.1
279.23309	100.0
280.23627	2.1
282.93219	0.1
395.05832	0.1
401.63309	0.1
504.31030	49.3
505.31335	1.4
519.27429	0.3
578.34735	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	1097.6787
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	14.7
85.45074	0.0
96.96947	0.2
99.87553	0.0
102.73281	0.0
114.08660	0.0
122.98542	0.4
134.98546	0.1
152.99588	3.1
158.48727	0.0
168.04311	3.7
182.76161	0.1
185.28709	0.1
194.05864	0.1
224.06952	9.5
242.07988	2.1
261.22177	0.5
279.23303	100.0
280.23624	2.2
280.26651	0.1
504.31018	64.4
505.31290	1.5
519.20325	0.1
519.27417	0.5
578.34692	2.8
579.34808	0.1
662.25562	0.1
702.75574	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	1099.532
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01386	5.6
85.02952	26.7
87.00864	6.4
89.02441	10.0
95.01369	5.0
97.02927	1.5
99.00867	14.6
101.02440	19.6
103.03991	1.2
111.00870	1.8
113.02434	20.2
115.04010	1.9
118.40720	0.9
119.03480	3.4
125.02428	3.8
129.01945	1.0
131.03479	6.5
135.72816	1.1
139.00360	3.5
141.01958	1.3
143.03519	5.9
157.01471	1.6
159.01662	0.9
159.03030	1.9
161.04572	2.1
163.02475	1.7
163.06087	2.0
191.02016	2.1
193.42055	0.9
203.12360	0.8
205.07214	5.3
221.06732	2.1
224.57890	0.9
227.27136	1.0
707.31726	1.9
842.70313	1.1
956.10590	1.1
957.50903	1.8
985.50195	1.4
1039.51611	8.1
1043.54333	3.4
1044.54883	1.3
1065.52808	4.8
1081.51941	12.7
1083.52478	1.1
1099.53271	100.0
1100.54187	4.5
1102.19006	1.2
1115.55518	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	1099.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
77.43680	0.5
82.85146	0.5
83.01373	6.0
85.02945	21.7
86.00064	2.0
87.00864	10.5
87.04493	2.4
89.02431	6.4
92.57593	0.5
95.01374	5.8
96.99295	0.6
97.02917	0.6
99.00867	16.1
101.02435	11.6
103.03982	2.4
108.14622	0.5
111.00872	33.9
112.01691	1.1
112.15649	0.4
113.02441	23.3
114.19154	0.4
115.00345	2.7
115.03985	3.8
119.03475	2.1
125.02464	0.6
131.03468	5.8
138.21689	0.5
139.00363	16.1
141.01918	0.5
143.03487	8.0
145.05034	0.7
157.01408	2.1
161.04523	1.7
163.06131	2.7
205.07162	5.8
308.36411	0.5
333.73703	0.5
679.38287	0.6
755.40613	1.9
873.46576	0.7
941.51117	30.0
942.51099	2.9
955.48798	1.8
1019.52032	0.8
1039.51196	15.1
1055.54663	3.6
1081.52222	100.0
1082.52820	9.4
1099.53235	35.5
1100.52710	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	1099.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	4.7
85.02942	42.6
86.00079	0.9
87.00867	11.5
89.02435	18.0
95.01384	8.9
97.02950	3.6
99.00869	63.4
101.02434	24.8
111.00857	3.7
112.01683	1.3
113.02447	39.2
114.38406	1.1
118.81149	0.9
119.03519	5.3
125.02414	1.1
131.03487	11.5
139.00418	4.9
141.01924	20.7
143.03514	4.7
157.01364	1.6
159.03008	1.7
161.04575	12.5
179.05669	3.8
194.80861	0.9
205.07277	1.2
209.53543	1.0
221.06688	15.6
263.07874	1.3
265.24606	0.9
320.46362	0.9
439.44482	1.0
479.89484	1.2
492.76764	1.0
911.49768	5.9
912.50421	3.6
939.50214	1.2
955.48212	1.1
957.50677	24.5
967.49200	1.6
985.50244	100.0
986.49866	5.4
1039.51501	8.9
1055.54114	20.9
1081.52686	18.0
1082.53650	1.1
1099.53308	92.2
1100.54138	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	1099.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01390	2.1
85.02946	13.7
85.03458	0.5
85.88087	0.6
86.00107	0.8
86.97174	0.5
87.00874	5.6
87.04470	0.6
89.02452	5.6
95.01371	3.5
96.99297	4.5
99.00879	12.1
99.69334	0.5
101.02448	9.3
103.04009	2.1
109.69090	0.5
111.00885	0.5
112.01681	0.5
113.02441	11.9
115.03996	0.9
116.17734	0.5
119.03494	2.1
125.02412	0.6
127.62708	0.5
131.03490	4.8
139.00403	1.1
143.03474	5.3
156.25192	0.5
157.01414	2.1
161.04584	1.0
163.06177	0.7
169.63419	0.5
205.07205	2.9
320.16623	0.6
713.39526	0.9
754.33887	0.7
941.51385	2.5
967.51575	0.7
977.52698	0.8
995.52063	2.3
1021.51599	0.6
1025.50842	0.9
1027.50476	0.7
1039.51282	100.0
1040.51111	8.5
1099.53430	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	1100.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01411	1.5
84.02163	0.2
85.02947	14.2
86.00093	1.5
86.03279	0.2
87.00870	5.7
87.04503	1.4
89.01955	0.2
89.02450	4.3
95.01384	2.7
97.02955	2.9
98.03265	0.2
99.00872	9.4
99.04468	0.3
100.01186	0.2
101.02435	2.8
103.03998	1.6
111.00880	0.2
112.01626	0.9
113.02448	10.7
115.00372	0.3
115.04001	2.8
119.03481	0.9
125.02426	5.8
126.02868	0.3
127.03961	0.2
131.03491	8.8
139.00354	0.7
143.03496	6.0
145.05077	1.2
157.01407	1.2
163.06131	1.5
200.41010	0.2
200.61571	0.2
205.07213	3.8
286.03873	0.2
336.82922	0.2
583.40338	0.3
665.73242	0.2
703.43604	0.2
741.43201	0.3
778.36560	0.2
786.81494	0.2
892.68805	0.2
937.52740	0.4
1019.49554	0.2
1037.53320	100.0
1038.53186	7.8
1039.53931	5.4
1040.54126	16.8
1041.54150	0.9
1100.55933	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	1101.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01393	4.7
84.02160	1.8
84.43494	0.1
84.44022	0.1
85.02951	100.0
85.11315	0.1
86.03280	0.3
87.00868	0.8
88.22890	0.1
89.03954	0.3
91.01890	1.2
93.03436	0.2
94.30563	0.1
99.00881	0.2
101.02447	0.9
103.00372	0.8
104.14220	0.1
106.00600	0.1
106.04220	0.3
107.01403	0.2
108.02168	1.8
109.02944	0.4
111.00881	12.4
115.00371	0.2
117.03457	1.7
121.02947	4.3
123.00880	1.0
123.04511	4.5
124.01646	0.7
125.02440	4.6
129.01938	42.1
130.02315	0.3
133.02933	0.3
134.03735	21.9
135.04457	0.4
137.02412	1.1
138.03203	0.8
139.00388	0.8
139.04037	0.8
145.01401	0.3
147.03011	10.0
149.02467	0.8
149.06091	2.9
151.00383	1.2
152.01172	2.6
153.01875	0.4
153.05585	4.4
154.99869	0.2
158.03749	0.2
160.01669	1.7
161.02457	0.3
163.04016	0.2
164.04832	0.2
165.01982	1.5
166.02692	0.3
166.99864	0.4
167.03508	10.7
169.31007	0.2
173.00922	11.1
173.06067	0.3
174.03075	0.2
175.04005	4.0
177.05554	0.2
178.02716	2.3
178.99866	0.6
179.03488	0.3
181.05078	0.3
182.02245	1.7
191.01994	7.6
191.03694	0.3
191.07080	0.2
192.04358	0.7
193.05080	19.3
194.05457	0.2
197.04579	8.9
199.07634	0.2
201.05461	0.2
203.03513	0.2
207.06677	1.1
209.03059	1.8
218.05840	0.2
222.05325	0.3
223.06146	0.3
233.08167	0.2
235.06175	2.9
237.07770	0.5
243.06575	0.3
257.78931	0.2
259.06125	4.0
261.07736	1.7
265.07187	1.9
269.04550	3.5
279.05121	0.4
287.05606	1.2
297.06161	4.2
309.06030	0.2
323.04175	0.3
323.07684	2.2
327.07224	3.7
341.05200	7.1
345.73245	0.2
353.05228	0.2
359.06342	3.4
367.06741	12.7
371.06226	5.9
385.07861	4.0
389.07364	2.1
491.12088	5.2
535.10974	5.4
536.10742	0.2
565.12048	4.4
997.89154	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.5489
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01390	2.2
85.02950	16.5
86.00079	0.5
87.00887	4.4
89.02440	8.0
89.17420	0.3
95.01374	5.3
97.02940	0.5
99.00876	7.8
101.02439	13.8
111.00888	1.5
112.01661	0.5
113.02444	13.3
119.03504	2.9
125.02435	0.6
129.01932	2.2
131.03485	4.5
139.00385	1.6
139.84624	0.3
143.03529	1.7
157.01425	0.4
159.03000	0.8
161.04558	6.5
179.05641	2.2
221.06694	5.8
246.75589	0.3
263.07867	0.5
400.71942	0.4
741.41943	0.8
759.43030	0.5
902.41040	0.4
928.03040	0.4
940.78906	0.4
1007.50635	0.4
1024.53491	0.4
1025.52014	2.4
1038.52747	0.5
1041.52405	1.5
1083.53174	2.3
1101.54883	100.0
1102.54980	11.0
1124.29211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01384	4.4
85.02950	40.8
85.07668	0.5
86.00105	3.0
87.00874	16.1
87.04496	4.9
89.02437	10.4
91.55563	0.5
92.13579	0.5
95.01380	7.1
96.99306	0.5
99.00878	27.3
99.04482	0.6
101.02440	10.9
103.04005	3.2
111.00908	3.4
112.01679	2.3
113.02444	31.7
115.00375	1.2
115.04004	9.0
119.03516	1.9
125.02429	0.8
129.01923	7.4
131.03494	19.7
132.52173	0.5
135.82414	0.5
139.00427	2.3
141.01970	0.8
143.03505	16.5
143.04564	0.8
145.05093	3.0
153.57678	0.5
157.01445	2.2
161.04643	0.6
163.06139	4.6
198.40175	0.5
205.07162	10.2
217.48486	0.5
422.79303	0.5
937.51794	43.2
938.52423	4.0
939.49408	5.2
941.51111	2.9
969.50745	2.2
1009.49371	1.6
1023.51947	17.4
1024.51599	1.8
1039.51135	2.9
1040.51440	3.0
1041.34729	0.7
1041.52539	43.4
1042.53418	3.4
1083.53833	62.7
1084.55066	4.4
1101.54919	100.0
1102.54675	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	1101.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03394	0.3
83.01272	1.4
83.01733	0.5
85.02834	19.5
85.03395	1.9
85.35640	0.3
85.99979	2.1
87.00757	8.3
87.01321	0.7
87.04395	2.4
89.02317	6.7
89.02909	0.5
91.20215	0.2
95.01260	3.2
99.00745	12.5
99.01432	0.8
99.04389	0.3
101.02303	4.7
103.03873	2.7
106.34354	0.3
111.00774	0.4
112.01511	1.5
113.02301	16.2
113.03149	1.1
115.03861	4.4
119.03350	1.6
131.03488	13.4
139.00192	1.3
141.01823	0.4
143.03502	10.1
145.04890	1.5
157.01215	1.7
163.06104	2.4
205.07173	6.8
390.08096	0.3
463.35596	0.7
483.38138	1.5
527.37183	0.7
641.40686	1.7
897.46423	0.4
919.50049	0.6
937.51740	60.8
938.52356	3.5
941.49658	2.0
981.50824	4.3
1011.52496	1.3
1023.51447	0.6
1041.52771	100.0
1042.53162	6.2
1083.52783	1.9
1101.54346	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	1101.7106
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	13.0
96.96954	0.2
110.18958	0.1
120.53202	0.1
152.99591	2.7
168.04311	3.4
174.96407	0.1
183.60948	0.1
191.04309	0.1
198.31053	0.1
224.04738	0.3
224.06952	8.6
240.49379	0.1
242.07977	1.9
243.69817	0.2
281.24878	100.0
282.25314	2.0
382.81082	0.1
449.62030	0.1
506.32562	65.3
507.33038	1.1
521.28723	0.3
562.86218	0.2
580.36273	3.5
894.96228	0.2
1105.25745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
78.02016	0.1
79.01913	0.1
83.01379	2.5
85.02932	0.3
87.00850	0.1
89.02456	0.1
93.03452	6.8
97.02959	0.1
101.02442	0.2
101.17831	0.1
107.01391	9.7
108.02177	0.2
108.99286	0.1
109.02911	0.1
113.02451	0.1
117.03457	0.1
119.05019	28.2
120.05386	0.3
121.02944	0.5
123.00894	0.1
125.02436	1.4
131.01379	0.3
133.02960	0.1
135.00865	0.1
136.01672	0.4
137.02441	0.4
143.05020	0.1
145.02991	0.4
149.02420	0.4
151.00374	38.1
152.00908	0.4
153.26289	0.1
161.04692	0.1
161.06082	0.3
162.70627	0.1
164.01164	0.6
165.01938	2.6
167.03459	0.1
169.01431	2.8
173.85077	0.1
175.00346	0.8
177.01935	5.5
178.02367	0.1
179.03596	0.1
185.06017	0.5
187.04030	0.4
193.01427	0.8
225.05602	0.1
227.07080	0.8
229.05075	0.1
253.05032	0.5
259.06061	0.1
269.04581	1.1
270.04877	0.5
271.06149	100.0
272.06454	2.5
285.07779	0.1
287.05731	0.1
295.06241	0.1
313.07257	1.2
439.22040	0.1
475.12543	5.8
476.12637	0.3
514.05005	0.1
583.26416	0.5
584.26819	0.1
1036.76636	0.1
1103.30261	0.1
1103.52576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
78.97610	0.2
82.01733	0.3
82.02986	6.5
83.01427	0.3
83.02505	2.3
83.20248	0.2
84.00900	1.4
85.02956	1.5
85.04047	1.6
87.00848	0.4
87.05634	0.4
89.02457	0.4
92.12482	0.7
93.03463	2.4
93.44267	0.2
95.01383	0.3
95.02509	1.4
97.00418	1.0
97.04083	1.1
98.01231	0.5
98.02480	0.4
99.00889	1.3
99.01993	14.6
99.05638	0.9
100.00380	0.3
101.02428	1.1
101.03513	0.3
106.02936	0.2
106.04293	0.2
107.05025	0.9
108.00932	0.4
109.04067	0.4
110.01197	0.5
110.02498	0.2
110.03611	0.2
111.02020	2.3
112.05180	0.4
113.02458	1.2
113.03566	7.9
113.07191	0.4
115.05127	0.3
115.08755	3.5
116.04324	0.4
116.05071	5.4
117.03480	0.5
119.05021	17.5
121.02981	0.2
123.01979	0.4
125.03553	3.4
125.07201	2.6
126.05650	0.4
127.05126	0.5
127.08798	0.5
128.03436	0.3
128.04655	1.0
128.07172	0.3
128.82312	0.2
129.10329	0.2
130.04234	0.5
130.06284	1.7
130.08731	21.9
131.03763	7.0
131.04852	0.4
132.04564	3.3
132.05814	1.7
133.04149	0.3
133.05333	1.6
134.03714	0.4
134.06122	4.2
135.05644	0.4
136.04016	0.3
137.03590	0.9
137.07205	6.1
138.05685	0.3
139.05144	4.4
139.08760	0.8
140.04681	0.3
140.07210	0.3
140.54199	0.2
141.06712	10.1
141.10341	1.7
142.06639	4.0
143.08304	0.8
143.11909	9.5
144.04565	1.4
145.02980	1.4
146.02510	0.2
146.06177	0.5
149.07178	0.3
151.01476	0.4
151.05133	2.3
152.05902	0.4
152.08325	0.4
153.06712	7.4
154.09886	1.6
155.08313	3.0
155.11905	0.4
156.04153	2.4
156.06725	1.6
156.07849	0.8
157.05310	1.0
157.07802	0.3
158.06091	0.8
159.08185	0.3
160.04030	2.6
162.05624	9.8
164.08371	0.3
165.06754	1.0
165.10291	0.3
166.09874	0.4
167.08272	1.3
168.04492	1.1
168.08073	1.0
169.07549	0.3
169.09859	4.3
170.05919	0.3
170.09361	4.5
172.04059	1.0
172.10916	4.2
174.05600	2.9
176.07213	0.3
177.03099	0.9
177.06688	2.8
179.04640	7.4
179.08247	3.7
181.07747	3.6
181.09879	0.4
182.05768	1.4
182.09334	1.8
183.05688	0.3
184.07602	0.3
184.10922	1.2
186.05695	0.3
186.12440	0.3
187.10880	3.5
189.06731	1.3
191.08369	0.9
192.07840	0.9
193.06197	0.4
194.09331	1.0
196.10910	0.8
197.07234	0.3
198.08867	3.5
198.12537	1.1
199.10921	0.2
200.07327	0.3
200.10771	1.0
200.14081	9.5
201.04387	1.1
201.06696	0.4
202.05171	1.2
203.08345	0.4
204.07837	0.8
205.06200	16.2
206.09392	0.3
207.07791	0.3
208.07416	0.2
208.10962	0.4
209.10553	0.8
210.08897	1.3
210.12811	0.4
211.08783	6.2
211.11850	1.5
212.10413	0.4
212.14073	0.3
213.06862	0.6
213.08893	1.4
214.05084	0.4
215.11835	0.8
217.06190	2.2
218.09497	0.3
219.07678	2.3
222.08760	0.4
225.06763	2.3
226.12122	3.9
227.11606	1.3
228.06540	0.9
229.09843	0.2
229.13065	1.5
231.11357	0.3
234.08820	2.9
236.10486	1.1
238.12067	0.3
239.11464	0.3
241.09885	2.1
243.08989	0.9
243.11433	0.9
244.09740	4.1
244.13010	2.5
245.09358	0.3
253.13483	2.5
255.11125	1.9
255.14920	2.0
257.09421	0.8
257.12674	0.3
257.16220	1.9
259.10934	1.4
261.12619	0.4
262.08310	0.5
267.10901	0.3
270.11108	1.2
272.14319	0.3
272.17767	0.9
276.13544	1.4
278.14990	1.7
279.11157	0.4
281.12817	0.4
283.14072	0.4
284.13742	0.4
285.09097	0.5
288.10144	0.3
290.15411	0.3
294.16296	0.4
296.10413	0.5
299.13812	0.4
302.11551	1.4
304.13040	2.4
311.11594	0.4
312.16931	0.4
315.14584	0.4
316.13141	1.2
316.16724	4.3
327.13330	0.5
329.16159	0.3
333.15775	3.3
335.17450	1.5
340.13022	0.3
342.14590	0.3
347.17160	0.5
355.17883	1.1
356.23019	0.5
358.13104	0.3
361.15161	3.6
363.20544	0.9
368.12787	0.5
372.19858	0.3
373.15555	0.2
373.19009	3.2
385.15143	0.5
390.17896	1.2
399.16696	1.3
418.16937	0.3
428.19644	0.8
430.16718	0.3
436.19104	0.4
442.17160	0.5
456.18915	2.0
459.20038	1.2
484.21835	0.3
498.23529	0.4
501.25491	0.3
512.25006	0.3
525.24768	0.4
536.25366	0.8
553.24500	0.4
555.26703	0.3
596.25067	0.3
690.33063	0.3
702.29053	1.8
928.36273	0.4
929.61035	0.3
972.39221	0.3
999.51801	1.3
1000.53778	0.3
1015.46460	0.9
1043.53467	0.9
1059.45984	34.6
1060.46033	2.4
1085.49512	0.4
1103.48462	100.0
1104.48438	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	1103.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
76.57536	0.1
79.69648	0.1
81.03455	0.2
83.01379	1.8
84.02138	0.1
85.02946	10.7
86.00089	0.7
87.00873	4.6
87.04508	1.4
89.01877	0.1
89.02440	5.0
95.01379	2.7
97.02947	1.6
99.00875	7.3
99.04506	0.1
101.02434	7.5
103.04005	1.7
109.02930	0.1
111.00883	0.4
112.01647	0.7
113.02444	9.2
115.00351	0.1
115.03998	1.8
119.03490	1.7
125.02433	3.3
126.02846	0.1
127.04018	0.3
129.01974	0.1
131.03493	3.5
139.00381	0.9
143.03503	4.5
145.05089	0.7
157.01443	0.7
161.04553	1.3
163.06131	1.6
204.68027	0.1
205.07185	3.0
231.05035	0.1
247.08194	0.2
264.22495	0.1
315.20349	0.1
374.21353	0.1
395.11868	0.1
504.76736	0.1
535.38068	0.1
556.28040	0.1
563.36963	0.1
583.39972	0.3
641.40674	0.1
741.42590	0.4
772.79767	0.1
879.51318	0.1
921.48828	0.1
967.51434	0.3
1049.53552	0.6
1067.54333	100.0
1068.54614	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	1103.5645
Annotation	Unknow
Peak:m/z	Relative Intensity
78.11572	0.1
83.01389	1.9
85.02948	10.7
86.00089	0.8
87.00338	0.2
87.00872	4.0
87.04514	1.2
89.02441	4.0
90.20099	0.1
95.01379	2.6
97.02965	0.5
99.00875	8.9
99.04500	0.2
101.02436	6.2
103.04012	1.7
111.00878	0.3
112.01682	0.9
113.02446	9.7
115.00375	0.4
115.03999	1.7
119.03495	1.5
125.02460	0.4
127.04022	0.2
129.01909	0.2
131.03491	3.0
139.00372	1.0
143.03503	3.9
145.05084	0.6
157.01422	1.2
161.04582	0.9
163.06119	1.4
205.07187	3.2
233.06688	0.1
258.60645	0.1
271.30469	0.1
279.55780	0.1
359.27405	0.1
391.30267	0.4
407.33707	0.2
408.10626	0.1
409.35043	0.1
423.33115	0.1
425.33731	0.1
437.34549	0.2
439.32303	0.1
455.23325	0.1
455.35751	0.2
457.37106	0.5
463.36349	0.2
483.38519	0.1
501.35803	0.2
553.37238	0.1
559.40277	0.6
571.38873	0.1
597.34528	0.1
599.36743	0.1
673.43799	0.1
717.42505	0.8
835.48877	0.1
939.52100	0.1
941.50500	0.1
967.51312	0.8
981.54456	0.5
1025.54333	0.8
1039.83081	0.2
1043.54431	100.0
1044.54626	10.9
1065.52380	0.1
1085.55200	0.2
1103.55823	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.564
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	2.2
85.02950	12.4
86.00098	0.5
87.00873	3.5
87.04501	1.3
89.02443	5.0
92.12424	0.5
95.01392	3.0
97.02908	0.4
97.87519	0.2
99.00877	11.2
101.02438	7.8
103.03997	1.6
103.93629	0.2
111.00889	0.3
112.01656	1.2
113.02451	11.7
115.00325	0.3
115.04007	2.1
117.64468	0.2
119.03514	1.7
125.02435	0.3
131.03473	4.1
139.00378	1.1
143.03496	4.7
145.05115	0.4
157.01410	0.8
161.04555	1.1
163.06146	1.5
205.07152	3.0
215.81467	0.2
299.00983	0.2
391.30569	0.2
407.33527	0.4
457.36871	0.3
641.41150	0.2
673.44354	0.3
717.42249	1.0
765.45123	0.5
835.48407	0.3
967.52411	0.8
981.54089	0.3
1025.52954	1.1
1043.54480	100.0
1044.54639	7.6
1085.55713	1.1
1103.56189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
76.66916	0.4
81.02995	0.7
81.03454	14.6
83.01386	16.7
84.02153	2.5
85.02950	61.8
89.00323	2.7
91.01878	1.7
92.65201	0.4
93.03452	0.9
95.01364	2.1
97.02944	0.7
99.00873	0.8
99.04519	22.6
101.02428	0.8
106.00609	2.0
109.02964	0.8
111.00884	34.9
113.02403	0.5
121.02955	46.4
122.85243	0.4
123.00874	9.6
125.02426	1.9
127.00369	1.6
127.04012	28.1
129.01942	29.6
135.04507	0.7
136.98817	0.6
137.02432	2.0
138.03241	8.1
139.00381	4.6
139.03969	0.5
147.03003	2.6
147.04535	0.9
149.02452	24.2
151.94624	0.5
152.01154	1.0
153.01958	0.7
153.05583	41.4
154.05923	0.5
154.99872	1.8
160.06369	0.4
161.02464	0.5
161.07198	1.9
163.04012	1.0
164.04797	17.9
166.99849	9.2
167.03510	0.4
171.02992	17.7
173.00912	0.9
175.08788	0.5
179.03529	0.7
179.07207	3.6
179.10712	0.6
181.01379	0.7
181.04997	0.4
182.02225	25.9
187.08858	0.4
189.04085	0.9
189.06689	3.9
190.02737	2.1
191.01831	0.5
191.03537	0.5
193.01445	2.9
196.03825	1.7
197.04579	100.0
198.04962	2.0
203.08321	1.8
205.05089	5.4
207.03038	0.5
208.03816	9.1
215.01993	6.1
217.01428	0.6
219.06705	0.6
222.05350	2.7
223.06148	43.3
229.09850	0.5
233.03047	2.6
237.07742	4.1
264.20526	0.4
265.04651	0.8
265.07220	13.6
291.05536	0.5
291.08755	3.2
305.11441	1.6
309.06195	5.5
323.12579	5.8
327.07254	1.7
339.06931	0.4
353.05133	5.3
365.13791	0.6
369.08200	4.7
371.06375	2.2
395.09821	1.9
397.07849	0.8
413.07468	4.9
431.08206	1.9
439.08936	2.0
457.09888	1.0
467.16916	2.1
468.82126	0.5
577.12213	1.0
637.14404	2.2
841.70697	0.5
1108.08826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03437	1.3
83.01377	2.6
85.02946	6.0
87.00877	0.9
87.35913	0.1
89.02438	65.1
90.02750	0.3
92.11687	0.1
95.01389	0.7
97.02940	3.2
99.00873	100.0
100.01201	0.9
101.02433	11.8
107.01384	0.3
111.00889	0.5
111.04496	0.2
113.02446	15.9
117.01964	0.2
119.03487	1.5
125.02433	9.0
127.03995	0.8
131.03491	17.5
133.02985	1.0
137.02515	0.2
143.03503	6.5
149.04556	64.5
150.04875	0.6
155.03505	7.4
157.02901	0.2
159.04652	0.4
161.04562	4.2
176.71210	0.1
180.05846	0.2
181.06650	0.5
183.04503	0.2
185.04570	0.6
191.05629	35.9
192.05972	0.6
197.06145	0.3
201.05623	0.3
203.05634	20.1
204.05951	0.2
224.04785	0.5
225.05624	0.5
233.06679	27.8
234.06979	0.3
240.04230	0.1
251.07764	0.6
253.05098	0.3
267.03043	0.1
268.03799	2.4
269.04568	33.8
270.04883	0.8
275.07773	1.5
276.13202	0.1
277.51810	0.1
291.06680	0.2
293.08871	0.6
311.05576	1.2
335.09885	19.8
336.10300	0.5
353.10934	9.1
354.11673	0.2
587.23743	0.1
708.24487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	1.5
83.01378	2.5
85.02950	5.5
85.03466	0.2
87.00878	0.8
89.02441	67.8
89.19480	0.1
95.01377	1.0
97.02942	3.3
99.00877	100.0
100.01220	0.3
101.02438	13.3
107.01383	0.3
108.80510	0.2
110.80296	0.2
111.00898	0.3
112.82695	0.2
113.02449	15.9
119.03471	1.3
125.02438	9.2
127.04008	0.6
128.68510	0.2
131.03499	18.6
132.02135	0.2
133.02922	0.9
143.03502	6.1
149.04556	65.9
150.04906	0.3
155.03502	7.6
159.04510	0.2
161.04547	4.5
163.06265	0.2
169.06662	0.2
176.89964	0.1
181.06618	0.2
183.04561	0.3
185.04584	0.2
191.05627	35.6
197.05966	0.2
203.05641	21.2
224.04755	0.3
233.06689	29.1
234.06845	0.2
240.04221	0.2
251.07774	1.0
253.05133	0.3
268.03842	2.6
269.04590	33.9
270.04886	0.6
275.07800	1.6
293.08777	0.7
311.05853	1.1
316.98822	0.2
335.09885	21.3
336.10440	0.2
337.95880	0.2
353.10938	9.8
587.22516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
78.36309	0.6
83.01376	4.8
85.02951	20.4
86.00079	1.1
87.00869	9.9
87.04514	3.5
89.02419	5.3
95.01382	1.5
96.96012	3.0
99.00872	16.4
101.02448	4.9
103.04037	2.4
111.00877	26.6
112.01636	0.8
113.02445	27.0
115.00378	3.8
115.04002	4.1
119.03482	0.8
127.23413	0.7
129.39990	0.7
131.03488	9.7
139.00377	14.7
139.01387	1.2
143.03474	8.0
145.05063	0.9
152.45178	0.7
157.01413	3.2
163.06194	2.9
205.07307	5.5
220.30698	0.8
468.13531	0.8
634.15845	0.7
679.37732	0.9
755.40308	3.6
911.50720	16.1
912.49780	1.0
937.51190	0.8
938.52032	2.8
953.50586	1.1
1025.53333	1.5
1042.52698	3.7
1051.51306	50.2
1052.51086	3.3
1059.53821	1.7
1069.52258	100.0
1070.52771	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	1105.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
82.95410	1.2
83.01387	2.1
85.02943	23.5
86.00075	1.4
87.00875	8.7
87.04498	1.5
89.02439	8.2
92.65406	1.0
94.37310	0.9
95.01374	3.7
99.00883	13.7
101.02438	7.1
103.03988	1.7
111.00856	2.2
112.01650	4.7
113.02459	19.9
115.03999	3.8
119.63232	0.9
127.00380	1.8
129.01970	10.0
131.03496	11.8
133.01413	4.8
139.00372	1.3
143.03497	8.9
145.04962	1.2
153.01689	5.2
154.99638	9.2
157.01234	1.1
163.06085	1.5
166.99657	4.1
178.99606	4.5
192.13239	1.0
197.00728	15.5
205.07242	3.5
207.78680	0.9
240.99699	1.5
287.03955	1.2
299.42426	1.2
358.23752	1.2
549.83044	1.1
640.30853	1.2
640.42627	1.2
749.39349	7.8
832.40277	1.2
899.43921	15.2
941.51239	1.4
1023.51935	84.4
1024.51819	8.6
1025.51282	1.3
1045.50037	100.0
1046.49548	8.4
1067.54810	6.8
1069.54639	15.4
1087.55151	1.9
1089.49329	12.1
1105.53711	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	1105.7417
Annotation	Unknow
Peak:m/z	Relative Intensity
77.85574	0.2
78.95902	13.7
79.98306	0.2
87.33755	0.2
92.12314	0.3
102.82535	0.2
127.97369	0.2
128.03528	0.2
137.14304	0.2
152.99622	2.4
156.04214	0.3
168.04291	3.1
224.06961	8.3
242.08104	1.6
247.02272	0.2
283.26447	100.0
284.26862	2.1
508.34125	68.3
509.34268	1.5
523.30298	0.4
582.37939	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	1106.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	2.1
85.02941	17.3
86.00072	0.7
86.03324	0.6
87.00867	6.5
87.04498	0.9
89.02431	7.0
91.96179	0.3
95.01365	4.4
96.95994	0.5
97.02964	0.6
97.62903	0.4
99.00871	15.6
100.01208	0.7
101.02425	11.6
103.04005	2.9
111.00922	0.7
112.01669	1.4
113.02439	14.3
114.02782	0.5
115.03978	3.1
119.03481	2.5
125.02387	0.4
125.88383	0.4
131.03502	4.5
139.00356	1.8
143.03493	6.0
144.03928	0.4
145.05084	0.8
157.01437	0.9
161.04488	0.5
163.06166	2.8
179.76366	0.3
202.15874	0.5
205.07141	3.5
247.08133	0.4
389.05994	0.4
457.37045	0.4
467.85666	0.4
520.71924	0.4
559.40100	0.5
967.53186	1.3
1025.53955	0.6
1043.54358	100.0
1044.54614	7.7
1045.54993	21.4
1045.77698	0.8
1046.55188	36.0
1052.52124	0.8
1070.51904	2.6
1071.53979	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	1107.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03358	0.4
83.01260	2.7
84.02071	0.3
85.02815	17.7
85.03389	2.4
85.99970	1.2
86.00430	0.2
87.00735	6.7
87.01312	0.9
87.04383	1.8
89.02305	7.6
89.02892	0.9
95.01234	3.3
96.00825	0.3
96.95850	2.2
97.02835	0.5
99.00732	11.1
99.01415	1.0
101.02287	10.2
101.03019	1.0
101.03381	0.3
103.03852	3.1
108.39009	0.2
111.00720	3.3
111.01554	0.5
112.01539	0.8
113.02282	15.0
113.03137	1.4
114.02654	0.3
115.00243	0.4
115.03842	2.6
125.02312	0.7
127.04968	0.3
129.01762	0.3
131.03314	5.8
139.00185	3.2
143.03502	7.9
145.04901	1.1
145.33958	0.2
157.01228	1.4
161.04353	2.1
163.06102	2.9
200.60794	0.2
205.07191	6.3
247.07938	0.2
463.35461	1.0
483.38535	0.9
527.37280	0.3
621.34454	0.3
641.40271	1.0
668.04974	0.3
791.08398	0.2
911.50555	1.3
912.51080	0.3
949.50842	0.3
967.52802	52.6
968.53473	1.6
1011.52118	3.7
1051.51404	2.8
1052.51074	0.3
1053.51880	2.2
1069.52722	6.7
1070.52063	1.2
1071.53821	100.0
1072.54053	3.5
1086.65771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.6297
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95912	15.5
82.02972	7.3
85.04076	37.2
87.05631	12.5
88.04044	7.8
102.00188	9.8
118.68820	1.5
119.02822	5.8
127.05119	27.7
128.03535	92.0
135.05632	9.0
145.06181	2.6
152.08290	9.0
153.06674	3.1
157.06192	50.4
159.07756	2.9
166.06245	7.9
168.04274	1.9
170.09430	1.5
171.10292	7.0
174.02316	23.4
177.71913	1.5
178.06192	11.4
179.04630	9.2
183.23749	1.5
184.04967	2.2
184.07265	2.8
191.04910	1.8
196.07291	22.7
197.05649	1.8
209.11761	1.6
214.08511	1.8
214.13779	1.3
238.77345	1.5
255.23317	24.1
268.09390	7.0
286.10504	13.2
291.19760	7.4
300.35815	1.7
301.55075	1.5
302.08185	2.1
309.20618	2.5
320.09244	100.0
334.10913	2.3
359.25528	1.6
385.27429	1.5
772.51581	26.0
1015.68811	1.7
1036.54370	2.4
1048.55566	35.8
1107.62976	69.4
1108.62585	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	1109.242
Annotation	Unknow
Peak:m/z	Relative Intensity
77.27073	0.2
81.03458	18.0
83.01389	21.3
83.05038	0.3
84.02175	3.3
85.02953	76.2
86.03300	0.3
87.00884	0.3
89.00337	2.9
89.03966	0.5
91.01878	3.6
95.01380	2.1
97.02941	1.1
99.00877	1.1
99.04519	26.8
100.04861	0.3
101.02450	0.2
106.00618	2.7
108.02184	4.7
109.03003	1.7
110.00080	0.4
111.00889	45.8
112.98816	0.3
117.03449	2.5
119.04993	0.3
121.02957	45.0
121.16679	0.2
123.00890	10.4
123.04523	10.1
124.01644	1.2
125.02458	1.6
125.99557	0.3
127.00391	1.9
127.04015	36.1
129.01945	42.0
132.02222	0.5
133.02957	0.3
134.03748	35.1
136.01706	0.3
136.98808	1.5
137.02444	2.9
138.03224	9.3
139.00380	5.5
139.04031	1.9
141.01987	0.3
147.03008	3.8
147.04338	0.5
149.02446	6.5
149.06091	6.1
152.01172	8.4
153.01952	1.3
153.05586	38.2
154.02731	0.4
154.99892	2.4
160.01645	3.0
161.02435	0.4
163.03993	0.4
164.04794	4.9
166.02745	1.1
166.99878	7.7
167.03505	29.1
168.04030	0.2
171.03003	21.0
173.00916	1.2
175.04008	5.8
178.02728	7.3
179.03491	0.5
179.07184	0.4
181.01451	0.4
182.02225	27.2
183.02513	0.3
189.02065	0.2
189.04059	1.8
189.05605	0.4
190.02748	1.1
191.01938	0.4
191.03551	0.4
192.04370	0.4
193.01419	1.1
193.05075	47.3
194.05463	0.4
196.03806	2.3
197.04576	100.0
198.04878	1.5
202.06444	0.3
204.04274	0.4
205.01350	0.2
205.05099	1.2
206.05902	0.3
207.03082	0.9
207.06644	1.1
208.03790	2.1
215.01997	8.7
217.01483	0.5
217.08730	0.5
218.05881	0.4
219.06534	0.4
221.07983	0.2
222.05347	3.1
223.06143	11.0
232.03690	0.4
233.02989	3.7
233.27187	0.2
235.02483	0.3
235.06183	4.3
237.07718	3.7
250.04866	1.1
253.05107	2.4
261.07718	3.1
265.07199	15.4
266.07379	0.3
275.09061	0.3
279.05032	1.4
281.06650	0.2
291.08719	0.9
297.06235	0.4
305.06592	0.5
309.06186	4.4
323.03964	1.2
323.07602	0.4
327.07211	2.5
339.07266	1.7
341.05099	1.0
349.05957	0.7
353.05212	5.0
365.08823	2.7
367.06940	0.7
369.08365	4.7
371.06152	2.2
383.06250	1.4
397.07831	0.3
401.07458	0.5
409.07858	2.5
413.07312	5.3
427.08896	1.6
431.08401	2.3
466.53717	0.3
503.12280	0.3
547.11298	2.0
558.99274	0.2
595.02380	0.3
603.15741	0.2
607.13092	1.8
707.27673	0.3
865.93561	0.3
954.29840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
78.01124	0.2
78.35539	0.1
81.03448	18.6
82.03806	0.2
83.01381	22.1
83.05020	0.8
84.01665	0.2
84.02153	3.5
85.02943	86.8
86.03281	0.6
87.00881	0.6
89.00326	2.7
89.03959	0.8
91.01881	5.4
92.12492	0.2
93.03436	0.2
94.82235	0.1
95.01362	2.3
97.02942	1.4
99.00892	1.1
99.04506	28.3
101.02448	0.7
104.13817	0.1
106.00587	2.7
106.04225	0.2
108.02162	7.5
109.02943	1.7
110.00100	0.3
111.00871	53.2
112.01204	0.1
112.98785	0.2
117.03453	2.8
121.02941	45.3
122.03303	0.2
123.00869	9.5
123.04510	16.5
124.01611	1.1
125.02437	1.8
125.99550	0.3
127.00377	2.6
127.03999	41.6
129.01926	46.5
129.27840	0.1
132.02132	0.6
133.02916	0.5
134.03726	38.1
135.04430	0.6
136.01669	0.5
136.98792	1.6
137.02422	3.6
137.99586	0.2
138.02151	0.3
138.03221	9.0
139.00366	6.4
139.04005	1.5
141.01901	0.2
143.03503	0.2
147.02998	4.5
147.04460	0.6
149.01227	0.3
149.02438	10.0
149.06068	5.7
150.03296	0.1
151.00392	0.5
151.04005	0.3
152.01147	12.5
153.02072	1.5
153.05565	36.6
153.99052	0.2
154.02710	0.9
154.05927	0.2
154.99857	2.9
155.03496	0.2
160.01660	3.4
161.02441	0.6
162.03221	0.6
163.04025	1.1
164.04785	7.2
164.06155	0.3
165.01923	0.6
166.02727	1.3
166.99852	8.3
167.03481	47.6
168.03900	0.3
171.02977	25.5
172.03394	0.2
173.00948	2.2
173.02351	0.3
174.03268	0.5
175.00417	0.2
175.03992	6.1
176.04785	0.2
177.01888	0.2
177.05542	0.2
178.02707	7.6
178.99867	0.2
179.03453	1.3
179.07150	1.2
180.41858	0.2
181.01451	0.9
181.05066	0.3
182.02200	23.7
183.02605	0.2
189.02213	0.2
189.04045	2.3
189.05563	0.5
190.02760	1.3
191.01945	0.6
191.03539	1.0
191.07010	0.2
192.04359	1.4
193.01472	1.9
193.05054	53.8
194.05547	0.7
196.03767	2.2
197.00876	2.5
197.04552	100.0
198.04802	1.6
202.02808	0.2
202.06409	0.3
204.04318	0.6
205.05019	2.7
206.05919	0.5
207.03001	0.8
207.06625	2.2
208.01834	0.2
208.03745	3.7
208.05534	0.2
215.01978	10.3
216.02316	0.2
217.01358	0.6
217.05124	0.2
217.08720	0.8
218.05826	0.2
219.06631	0.6
220.03810	0.6
221.04501	0.2
221.08075	0.5
222.05345	3.7
223.06126	19.5
232.03729	0.5
233.02979	4.0
233.08170	0.8
235.02495	0.4
235.06113	6.8
237.04126	0.3
237.07687	4.7
250.04779	1.3
251.05486	0.5
253.05086	2.6
261.07648	4.3
265.07175	17.5
279.05035	1.7
291.05127	0.7
291.08722	1.5
297.06104	1.0
305.06750	0.8
309.06146	5.2
323.04123	2.3
327.07205	2.6
335.07840	0.2
339.07220	1.9
341.05161	1.3
349.05615	0.5
353.05136	4.2
353.09436	0.2
365.08694	2.5
367.06726	1.3
369.03851	0.2
369.08252	4.0
371.06250	2.2
379.06378	0.2
383.06198	2.9
395.09818	0.8
397.07709	0.5
401.07272	1.3
409.07703	2.9
413.07248	5.4
427.08783	1.9
431.08392	2.6
439.08603	0.9
457.09747	0.9
503.11887	0.5
547.11005	1.9
565.11487	0.2
607.13031	2.4
669.68506	0.1
1030.77222	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	1109.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03458	7.7
83.01388	12.4
83.04997	0.3
84.02163	3.4
85.02950	100.0
87.00864	0.6
89.00327	1.5
91.01862	0.5
93.03445	0.4
95.01391	0.6
97.02962	1.5
99.00885	1.3
99.04507	12.9
101.02469	0.6
106.00599	1.1
109.02946	1.1
110.00095	0.4
111.00880	27.2
112.89871	0.3
112.98855	0.3
117.03471	0.5
119.05061	0.3
121.02948	23.8
122.03259	0.3
123.00877	6.1
123.04527	0.6
124.01620	1.1
125.02438	1.8
125.99597	1.1
127.00375	2.0
127.04007	29.9
128.04341	0.3
129.01932	26.3
132.02174	0.3
133.02968	0.3
134.03714	1.1
135.04526	1.3
136.98824	1.9
137.02431	4.4
137.99651	0.9
138.02179	0.3
138.03229	7.5
139.00372	10.5
139.03978	1.1
147.03017	7.2
147.04517	2.4
149.02449	30.5
151.00470	0.3
151.04088	0.4
152.01163	1.4
153.01994	2.0
153.05580	21.7
153.99068	0.3
154.02750	0.6
154.99861	1.5
155.03482	0.5
163.04004	2.1
163.11313	0.3
164.04791	28.5
165.01956	0.5
165.05266	0.5
166.02745	1.6
166.99867	2.6
167.03520	1.7
168.04268	0.3
169.05103	0.5
171.02994	13.1
173.00893	1.6
173.02356	0.5
175.00432	0.3
175.03949	0.3
177.01930	0.4
177.05618	0.4
178.02707	0.5
178.99852	0.3
179.03485	2.4
179.07121	3.9
181.01413	0.5
181.05112	1.2
182.02202	9.2
189.01958	1.5
189.04074	1.8
190.02707	3.7
191.01938	0.9
191.03561	1.2
192.04233	0.3
193.01459	4.1
193.03189	0.4
193.05060	2.8
194.05914	0.6
194.93027	0.3
196.03806	4.7
197.04568	45.7
199.07454	0.3
203.20869	0.3
204.04262	1.0
204.32811	0.2
205.05060	5.3
206.05812	0.4
207.02927	2.2
207.06766	0.3
208.03795	11.1
208.59813	0.2
215.01988	5.9
217.01555	1.3
219.02979	0.4
219.06688	1.2
221.08293	1.1
222.05338	6.2
223.06143	65.3
224.06512	1.1
232.03790	1.5
233.03001	3.0
235.02525	0.5
235.06186	0.5
237.07687	7.3
237.09868	0.5
242.94348	0.3
248.07159	0.3
250.04912	2.4
250.07239	0.3
253.05122	1.3
263.09277	0.3
265.07202	27.7
269.04514	0.6
291.05423	0.6
291.08704	4.2
307.08383	0.3
309.06247	7.0
327.07254	4.6
335.07602	0.4
353.05219	1.9
369.04099	0.4
369.08325	6.2
371.06284	3.4
379.06784	0.5
387.16721	0.3
390.13913	0.3
395.10052	2.5
397.07813	1.7
413.07437	3.2
431.08383	3.7
439.08948	4.0
457.10248	2.5
531.20776	0.5
533.12799	0.3
559.24231	0.4
577.12170	2.8
637.14270	2.5
781.04816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	1.8
85.02944	11.5
86.00084	0.4
87.00871	4.0
87.04508	1.1
87.93292	0.2
89.02444	4.3
95.01378	3.2
97.02948	0.4
99.00877	7.9
101.02437	7.7
103.03993	1.8
108.31866	0.2
110.14577	0.2
112.01688	0.8
113.02444	10.0
115.00394	0.3
115.03330	0.2
115.04002	1.8
119.03513	1.5
125.02435	0.2
127.03948	0.2
131.03494	5.0
131.77293	0.2
139.00394	1.3
143.03496	4.8
145.05066	0.4
157.01430	1.0
161.04547	0.9
163.06172	1.6
205.07178	3.2
425.13312	0.3
451.10977	0.2
589.41345	0.3
607.29340	0.2
611.93781	0.2
747.44104	0.4
858.71741	0.2
927.49060	0.7
957.51050	0.4
1055.54089	0.3
1059.54224	0.4
1073.55457	100.0
1074.55884	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	1109.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03478	0.4
82.43567	0.2
83.01395	2.6
84.02171	0.3
85.02951	12.0
86.00103	0.5
87.00867	4.7
87.04509	1.3
89.02444	3.8
95.01369	3.1
96.96003	1.1
97.02959	2.6
99.00876	8.3
99.04520	0.3
101.02442	5.9
101.31638	0.2
103.03983	1.5
111.00899	0.3
112.01659	0.4
113.02448	9.7
115.00374	0.2
115.03994	2.2
119.03505	0.9
125.02432	4.4
127.04004	0.3
131.03502	2.8
139.00407	0.8
143.03499	3.9
145.05090	0.9
155.03520	0.2
157.01440	1.2
161.04523	0.4
163.06081	1.4
205.07184	2.5
247.08186	0.2
391.57120	0.2
563.38208	0.3
583.39838	0.3
623.42194	0.2
741.42126	0.4
879.52002	0.3
1005.54095	0.4
1009.54327	0.2
1011.51935	1.7
1051.46362	0.3
1091.54272	1.9
1109.55383	100.0
1110.55359	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	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
54.82964	1.5
58.67628	1.4
63.14537	1.5
67.01910	39.0
67.03008	1.7
78.95911	94.2
79.32722	1.6
79.90443	1.9
85.02923	2.3
91.52272	1.9
95.96835	2.0
103.33030	1.9
110.98517	2.2
111.00886	100.0
126.47634	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	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
51.99891	1.3
55.01878	6.9
57.46742	1.2
64.73171	1.2
67.01897	36.2
78.95903	34.3
83.01388	14.9
83.11960	1.2
85.02940	2.4
102.37620	1.4
111.00887	100.0
111.02032	7.3
112.01262	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	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01875	9.0
67.01892	34.5
78.47038	1.4
78.95897	24.7
81.12053	1.5
83.01380	17.6
85.02946	2.3
111.00879	100.0
111.02026	5.8
111.04482	2.8
112.01171	1.5
112.04031	1.7
114.73599	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	1112.6065
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	45.4
82.19022	0.1
96.96954	10.3
134.98534	0.6
147.67694	0.2
150.98053	0.8
152.99591	52.7
153.99960	0.2
171.00645	0.7
223.00177	2.7
225.84149	0.1
241.01215	31.2
242.01566	0.2
259.02228	0.7
261.22253	0.2
277.21875	0.2
279.23315	71.4
280.23691	2.0
284.97238	0.1
299.09283	0.2
315.04922	7.8
333.05875	0.2
415.22452	1.6
595.28998	100.0
596.29315	3.2
1009.21021	0.2
1051.89099	0.2
1053.52795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
80.77391	0.1
83.01387	4.3
84.02165	2.2
85.02947	100.0
86.03268	0.4
87.00862	1.1
89.00336	0.4
92.60680	0.2
95.01362	0.2
98.28273	0.2
99.00895	0.3
101.02433	0.8
103.00378	0.3
104.99516	0.2
106.00611	0.3
111.00875	11.9
115.00327	0.2
117.03449	0.2
119.05007	0.3
121.02943	11.1
123.00871	1.6
127.00365	0.3
129.01932	44.4
132.02214	0.2
136.98775	0.4
137.02443	0.8
138.03212	2.4
139.00352	2.1
139.03990	0.8
142.66530	0.1
145.01431	0.7
147.03006	10.1
147.04500	1.1
149.02441	17.2
152.01143	0.3
153.01962	0.2
153.05573	8.0
154.02702	0.2
154.99806	0.2
163.04045	0.9
164.04797	12.7
165.05403	0.2
166.99835	1.1
173.00916	13.3
175.00449	0.6
177.01871	0.2
179.03519	0.2
179.07144	1.8
181.01433	0.3
182.02211	3.7
189.01945	0.2
190.02742	2.3
191.01988	7.7
191.03531	0.6
193.01430	1.4
193.05017	0.3
196.03795	0.8
197.04575	18.9
198.04776	0.2
205.05080	3.5
206.06117	0.2
207.03004	0.3
208.03831	2.1
209.03004	1.7
211.06154	0.4
222.05281	1.2
223.06140	18.8
224.06390	0.2
232.03787	0.3
233.04549	0.3
237.07651	1.5
247.57661	0.2
248.06923	0.2
250.04724	0.3
265.07202	4.8
268.03690	0.9
269.04523	1.9
270.04800	0.8
291.08804	2.1
309.06226	0.7
327.07220	10.5
335.07953	0.3
353.05170	0.4
353.08801	2.9
371.06219	14.7
389.07275	6.9
396.34021	0.2
397.07785	16.7
415.08829	5.3
431.09808	0.6
432.10242	0.5
433.09814	0.2
487.25278	0.2
595.13116	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	1113.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
79.89854	0.1
81.03381	0.2
82.69005	0.1
83.01285	2.0
84.02094	0.2
85.02845	13.7
85.03402	1.1
85.03652	0.5
85.99993	0.9
86.00498	0.2
87.00768	5.2
87.01340	0.4
87.04402	1.7
89.02332	5.7
89.02946	0.5
95.01268	3.6
96.99245	0.2
97.02823	0.4
99.00759	9.5
99.01476	0.6
99.04424	0.2
101.02317	8.6
101.03045	0.5
103.04003	2.0
111.00890	1.6
112.01664	1.1
112.98708	0.2
113.02443	10.7
113.03152	0.6
115.00303	0.1
115.03994	2.4
119.03486	1.3
125.02322	0.2
127.03883	0.2
129.01926	4.5
131.03491	4.4
139.00351	0.9
139.03935	0.1
143.03494	5.2
145.05075	1.2
157.01421	1.2
157.28094	0.1
161.04558	1.1
163.06114	1.6
168.22984	0.1
174.31856	0.1
205.07191	3.7
223.22885	0.1
233.06407	0.1
243.19771	0.1
247.08139	0.2
537.35852	0.1
549.36133	0.2
569.38214	0.2
626.26532	0.1
727.41040	0.2
787.42645	0.6
804.44684	0.2
845.46063	0.2
923.49316	0.2
939.49463	0.1
991.53754	0.8
1035.51611	0.7
1053.52869	34.5
1054.53174	2.7
1095.53735	1.5
1113.54907	100.0
1114.54883	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	1113.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95871	0.3
83.01372	1.7
83.02282	0.3
84.02187	0.4
85.02949	15.9
86.00098	1.8
87.00867	7.0
87.04512	1.4
89.02442	6.5
95.01383	3.6
97.02953	0.6
99.00877	11.0
101.02443	9.1
103.04008	1.9
111.00885	0.8
112.01668	0.7
112.16615	0.3
113.02450	10.7
115.00342	0.3
115.04012	2.1
119.03491	1.7
129.01913	4.6
131.03505	4.2
139.00354	0.7
143.03502	4.8
145.05058	1.3
157.01456	0.7
161.04565	1.4
163.06116	1.8
205.07143	3.8
288.73550	0.3
329.54855	0.3
365.60019	0.3
383.26553	0.4
387.14633	0.3
389.38037	0.4
446.81424	0.3
635.33698	0.4
763.70410	0.4
787.42664	0.4
991.52789	0.6
1035.53271	0.5
1051.55896	0.6
1053.52783	24.2
1054.52832	1.7
1095.53955	1.6
1113.54858	100.0
1114.55005	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
82.44321	0.1
83.00917	0.3
83.01386	4.8
84.02154	1.8
85.02949	100.0
86.03277	1.5
87.00876	0.8
89.00335	0.3
93.03462	0.3
101.02438	1.0
103.00379	0.4
106.00577	0.2
111.00878	12.5
112.01220	0.2
115.00388	0.3
116.07999	0.1
121.02947	11.6
122.03223	0.3
123.00861	1.8
125.02422	0.3
127.00372	0.3
129.01935	43.1
130.02252	0.7
132.02121	0.2
133.02945	0.2
136.98795	0.4
137.02469	0.6
138.03218	2.0
138.19853	0.2
139.00349	1.8
139.04013	0.9
139.56216	0.2
145.01422	0.4
147.03003	9.4
147.04506	1.2
148.03389	0.2
149.02444	16.5
150.02766	0.2
152.01196	0.6
153.05582	9.7
154.06012	0.2
154.99884	0.3
159.04454	0.2
163.04030	1.0
164.04790	12.4
165.01892	0.2
165.05350	0.3
166.02695	0.2
166.99857	1.3
167.03461	0.3
169.05115	0.2
173.00916	12.7
174.01210	0.3
175.00397	0.3
178.02705	0.2
179.03516	0.2
179.07162	2.3
181.01392	0.4
181.05025	0.1
182.02223	3.7
190.02716	2.4
191.01990	8.5
191.03514	0.6
193.01442	0.9
196.03799	0.7
197.04572	18.9
198.04831	0.6
203.07248	0.2
204.04164	0.2
205.05077	3.0
207.02988	0.3
208.03786	2.7
209.03032	1.6
211.06030	0.6
222.05383	1.4
223.06142	17.9
224.06456	0.4
232.03787	0.3
237.07680	1.4
247.72290	0.2
250.04893	0.3
265.07175	4.7
266.07465	0.2
269.04541	0.7
291.08716	1.8
309.06223	0.4
315.78278	0.2
327.07251	10.0
353.05118	0.6
353.08789	2.4
355.06647	0.2
371.06232	12.7
372.06433	0.9
373.06744	0.2
389.07318	6.7
397.07791	13.4
398.08124	0.6
415.03885	0.3
415.08920	4.7
416.09705	0.2
595.13110	9.8
596.13660	0.8
597.12970	0.3
618.31512	0.2
928.32281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.564
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03423	0.2
83.01387	3.5
84.02119	0.3
85.02949	18.7
86.00092	1.9
86.03225	0.2
87.00874	7.6
87.04507	1.9
89.02439	9.6
89.02959	0.3
95.01379	4.6
97.02891	0.7
99.00876	12.7
99.04453	0.3
99.53872	0.1
101.02435	15.4
103.04007	3.4
111.00819	0.7
111.04359	0.1
112.01647	1.2
113.02447	15.6
115.00288	0.3
115.03994	2.5
119.03481	2.6
123.99577	0.2
125.02351	0.8
127.03942	0.2
129.01894	0.3
130.71196	0.1
131.03499	6.0
139.00380	1.6
143.03508	6.2
145.05096	1.3
157.01465	1.4
161.04536	1.6
163.06128	2.8
205.07175	5.3
247.08142	0.3
248.41457	0.2
293.62192	0.2
340.59610	0.2
357.07596	0.2
521.36163	0.4
541.38940	0.3
551.37885	0.2
699.41364	0.3
789.44952	0.3
963.52844	0.3
1007.51965	1.1
1025.53345	47.9
1026.53638	3.1
1053.54736	0.2
1055.53857	1.1
1068.54724	0.4
1069.54761	1.5
1097.55261	1.4
1115.56445	100.0
1116.56396	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	1115.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03418	0.3
83.01386	3.5
84.02111	0.2
85.02945	19.0
86.00090	1.5
87.00865	7.5
87.04488	2.0
89.02437	9.7
95.01379	4.6
97.02922	0.4
99.00868	13.8
99.04493	0.2
100.01157	0.2
101.02431	15.6
103.04002	2.8
111.00872	0.3
112.01616	1.3
113.02439	15.2
114.02729	0.2
115.00330	0.3
115.04001	3.1
119.03484	2.3
125.02393	0.8
129.01903	0.2
129.53886	0.2
131.02606	0.3
131.03484	6.0
139.00322	1.3
141.01903	0.3
143.03497	6.8
145.05000	1.2
157.01404	1.3
161.04532	1.5
163.06128	2.9
205.05371	0.3
205.07196	4.8
247.08205	0.3
395.11972	0.2
521.36102	0.8
541.38702	0.4
699.41406	0.3
804.04407	0.2
923.49860	0.3
939.49255	0.4
941.50964	1.0
963.53619	0.8
1007.52356	0.8
1025.53320	51.8
1026.53271	3.8
1032.87622	0.3
1053.53870	0.5
1054.53821	0.5
1055.54138	3.0
1097.55811	1.3
1115.56409	100.0
1116.56519	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	1115.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01396	5.3
85.02943	35.8
86.00085	2.6
87.00865	10.0
87.04493	2.4
89.02443	14.6
95.01378	6.7
97.02944	3.1
99.00867	74.7
101.02431	23.1
103.04012	3.9
111.00901	1.7
112.01647	1.1
113.02442	35.5
115.00307	0.8
115.04007	4.1
119.03478	3.3
131.03485	10.1
139.00391	3.1
141.01932	28.3
143.03500	11.2
145.05060	1.2
157.01411	2.6
161.04544	2.9
163.06085	6.0
190.12422	0.5
192.87125	0.5
205.07170	8.4
421.35410	0.5
434.26572	0.5
707.32239	0.6
923.50226	0.9
941.51166	41.9
942.51636	2.9
951.51044	0.8
969.50726	56.3
970.50873	4.6
1025.53442	19.4
1026.53613	1.9
1042.59033	0.6
1043.54651	0.8
1053.52930	1.9
1054.54077	0.7
1055.53674	3.8
1083.53784	87.5
1084.54138	10.1
1097.53638	2.7
1115.56348	100.0
1116.56299	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	1115.5651
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	2.0
85.02947	14.9
87.00867	7.0
87.04521	0.8
89.02447	6.1
91.25522	0.5
95.01400	4.0
97.02943	2.0
99.00873	14.1
101.02443	8.6
103.03999	1.0
104.31782	0.5
104.79216	0.5
111.00854	1.9
112.01634	0.7
113.02441	14.9
115.00349	0.5
115.04076	1.6
116.92851	3.2
119.03469	1.0
123.00887	1.0
125.02470	0.9
129.05595	2.2
131.03493	4.7
139.00377	0.7
140.01096	0.5
141.01933	2.0
141.77589	0.5
143.03473	5.9
155.03532	0.6
157.01317	0.6
161.04570	0.7
163.06157	2.1
205.07219	4.0
225.53503	0.6
247.08220	0.6
257.84283	0.6
525.79211	0.6
748.60455	0.6
827.19806	0.6
969.51538	0.7
1001.50867	0.9
1071.56104	0.8
1097.55493	19.6
1115.56445	100.0
1116.57117	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	1115.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01394	2.3
85.02948	14.0
86.00083	1.3
87.00873	7.1
87.04504	2.4
89.02448	5.5
90.90476	0.5
91.74648	0.5
95.01396	4.1
99.00866	15.1
99.04507	0.6
101.02438	6.0
103.04030	1.2
111.00842	0.9
113.02444	16.2
115.00338	0.6
115.03965	1.1
119.03474	1.3
125.02425	0.6
127.03975	0.6
129.01935	0.7
131.03508	7.5
139.00407	1.2
143.03487	7.2
145.05031	0.9
157.01434	1.2
161.04562	0.7
163.06126	1.0
168.45670	0.5
173.77396	0.5
199.88689	0.6
205.07196	3.1
264.55283	0.5
463.35599	0.8
545.60101	0.7
549.65857	0.6
937.51721	2.4
941.51697	0.8
955.49292	3.7
957.49670	1.0
958.50555	0.8
1055.54395	100.0
1056.54236	5.5
1081.55249	0.8
1097.53308	3.8
1115.56104	34.8
1116.56165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1116.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01400	3.0
85.02945	16.9
86.00081	1.2
86.03278	1.4
87.00871	8.0
87.04504	1.5
89.02433	8.1
95.01383	4.2
97.02930	0.5
99.00875	13.3
100.01207	0.6
101.01765	0.4
101.02433	11.3
102.02769	0.5
103.04021	3.0
108.42703	0.3
111.00863	2.3
112.01665	0.5
112.23492	0.3
112.98830	0.4
113.02448	13.1
114.02760	0.3
115.00319	0.3
115.04018	2.2
119.03497	1.6
125.02419	0.4
129.01920	4.9
131.03487	6.6
139.00352	1.5
143.03499	7.3
145.05083	1.3
157.01457	1.3
161.04558	1.5
163.06102	1.2
205.07234	4.5
433.10275	0.3
549.36322	0.4
689.59912	0.3
922.49237	0.5
1035.51208	0.4
1053.52832	100.0
1054.52966	9.0
1055.53186	16.6
1055.75366	0.7
1056.53723	42.1
1057.54785	0.5
1115.55627	3.0
1116.55750	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	1117.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01365	2.2
85.02945	11.1
86.00093	1.3
87.00861	5.0
87.04487	1.1
89.02430	6.8
92.75152	0.2
95.01366	2.9
96.96013	0.4
97.02934	2.0
99.00869	9.2
99.04524	0.9
101.02430	7.9
103.04006	2.1
109.91261	0.2
111.00865	0.3
112.01636	0.7
113.02440	12.1
115.00381	0.2
115.04010	1.6
119.03461	1.7
119.21304	0.3
125.02423	5.1
131.03500	4.5
137.09726	0.9
139.00362	1.0
143.03499	5.4
145.05049	0.9
153.09167	0.8
157.01407	0.8
161.04543	1.8
163.06117	1.9
179.10735	0.4
181.08722	1.0
205.07172	3.7
205.12387	1.0
321.01144	0.3
385.78445	0.2
410.59033	0.2
499.22055	0.5
517.22943	5.0
546.31128	0.3
555.28064	0.4
573.29205	2.5
653.26672	0.2
755.40521	0.4
789.50079	0.2
957.50647	0.3
967.52399	0.4
985.50684	0.8
1039.50720	1.8
1055.50928	0.9
1057.52551	5.4
1063.52576	0.4
1081.52209	100.0
1082.52466	10.7
1099.52832	0.5
1101.53821	0.3
1117.52283	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.5813
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95874	0.1
80.05862	0.1
81.03473	0.1
83.01374	1.7
85.02948	10.1
86.00082	1.1
87.00872	4.7
87.04505	1.3
89.02439	4.7
95.01382	2.8
97.02950	0.7
99.00871	6.2
101.02434	6.9
103.03996	2.2
111.00883	0.6
112.01661	0.7
113.02446	8.7
115.00352	0.1
115.04000	1.4
119.03481	1.7
123.43053	0.1
125.02411	0.7
127.04038	0.2
131.03494	3.6
139.00375	1.1
143.03503	4.6
145.05026	0.9
148.89984	0.1
149.55652	0.1
153.80795	0.1
157.01433	0.8
161.04556	0.9
163.06129	2.1
191.97777	0.1
205.07175	3.6
247.08218	0.7
293.08862	0.1
325.11298	0.2
355.28470	0.1
391.30023	0.2
553.39288	0.4
573.41925	0.2
583.40356	0.2
627.38824	0.2
731.43927	0.2
737.43451	0.2
902.98761	0.1
995.55383	0.1
1039.55615	0.9
1057.55994	100.0
1058.55847	4.6
1081.55896	0.5
1117.53101	6.8
1118.54175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
80.34556	0.2
81.03461	0.2
83.01392	2.1
84.02164	0.2
85.02945	16.3
86.00084	1.3
86.08955	0.2
87.00868	6.0
87.04501	1.2
89.02436	7.2
95.01388	3.8
97.02929	0.8
99.00871	32.9
100.01205	0.3
101.01762	0.3
101.02431	9.9
102.96113	0.2
103.03991	2.2
111.00874	0.3
112.01643	0.9
113.02441	18.0
115.03983	2.2
118.20419	0.2
119.03491	1.9
122.06123	0.3
124.03963	0.2
125.02441	1.3
127.03946	0.3
129.01907	0.2
131.03493	4.9
139.00395	1.2
139.03918	0.2
141.01942	13.4
143.03510	6.0
143.30762	0.2
145.05057	1.2
150.05568	0.2
157.01428	1.2
161.04581	1.7
163.06110	2.8
205.07169	4.5
230.33218	0.2
251.08331	0.2
260.33078	0.2
262.37341	0.2
423.15057	0.2
485.36401	0.4
549.69470	0.2
777.85577	0.2
941.51172	10.1
942.51349	0.4
969.50659	28.8
970.50848	1.9
1028.53406	0.3
1029.53967	0.4
1059.51306	0.3
1065.52124	0.4
1067.54395	4.3
1068.54395	3.2
1069.55469	0.4
1083.53796	100.0
1084.54028	7.5
1092.56714	1.5
1093.57800	0.3
1109.55310	0.8
1110.56653	1.5
1118.56738	1.1
1119.58093	2.4
1126.56860	1.1
1127.56128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03436	0.1
83.01382	2.2
84.02174	0.1
85.02947	14.7
86.00101	0.5
86.03300	0.1
87.00872	3.3
89.02439	9.5
95.01380	4.3
97.02940	1.5
99.00873	7.7
99.04513	0.1
101.02435	10.0
103.04004	0.2
111.00888	0.4
112.01658	0.7
113.02443	11.7
115.00347	0.3
115.04002	0.3
119.03485	3.3
125.02429	2.6
129.01944	0.4
131.03496	4.4
139.00356	1.6
141.01935	0.7
143.03508	1.7
145.05087	0.1
149.04547	0.3
157.01421	0.7
159.03018	0.8
161.04556	6.2
163.06143	0.1
179.05626	1.7
205.07149	0.1
221.06673	6.2
229.23956	0.1
249.06200	0.2
257.06653	0.1
263.07797	0.3
268.46289	0.1
347.25388	0.1
365.27029	0.1
457.36752	0.1
551.37390	0.1
563.37207	0.1
565.38196	0.1
583.40173	0.2
655.87256	0.1
723.41730	0.2
741.42419	0.4
903.47461	0.1
921.48187	0.1
941.50464	0.5
969.50562	1.3
983.51929	0.4
1057.76917	0.1
1065.52612	1.0
1083.53882	100.0
1084.54089	6.3
1085.55603	0.7
1109.55603	1.5
1110.55383	1.5
1111.55005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.515
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03468	0.1
82.42773	0.1
83.01383	1.4
83.99032	0.1
85.02950	12.2
86.00103	0.8
87.00340	0.2
87.00871	4.6
87.04510	1.2
89.02441	5.0
95.01377	2.6
96.00922	0.1
97.02936	0.8
99.00875	30.2
99.04540	0.1
101.02437	6.5
103.04005	2.1
111.00874	0.5
112.01660	0.6
113.02445	16.0
115.00347	0.5
115.03995	1.8
119.03487	1.3
125.02428	0.5
127.04018	0.1
129.01962	0.3
131.03493	4.0
139.00378	1.4
141.01941	13.3
143.03505	4.6
145.05054	1.0
156.28314	0.1
157.01414	1.0
161.04578	1.1
163.06128	1.8
205.07176	3.6
205.09146	0.1
247.08139	0.1
271.40680	0.1
330.38406	0.1
427.35880	0.1
453.34158	0.1
465.33771	0.2
485.36276	0.4
529.35760	0.1
615.39093	0.1
643.38507	0.5
689.30219	0.1
754.83807	0.1
757.41779	0.1
907.51617	0.1
941.51196	6.6
942.50488	0.3
951.49536	0.4
967.52692	0.2
969.50739	23.7
970.51563	0.8
1039.51978	0.1
1065.52869	0.4
1083.53894	100.0
1084.54102	5.4
1099.24512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	1.6
84.02165	0.3
85.02946	15.0
86.00088	1.3
87.00870	6.5
87.04505	1.9
89.02439	4.9
95.01380	2.2
96.99297	0.5
97.02936	0.4
99.00871	10.2
99.04514	0.3
101.02431	4.6
103.03998	1.8
111.00874	1.7
112.01663	0.8
112.98817	0.4
113.02443	13.2
115.00385	0.5
115.04004	2.9
119.03503	0.7
125.02435	0.5
127.04004	0.2
129.01930	6.0
131.03491	9.1
132.03741	0.1
139.00346	0.9
143.03497	7.7
145.05067	1.3
146.76703	0.1
147.54768	0.1
149.04588	0.1
157.01419	1.3
159.02986	0.1
161.04506	0.2
163.06128	1.7
189.04065	0.1
191.05623	0.1
205.07176	4.6
247.08296	0.3
249.67906	0.1
258.49966	0.1
277.09140	0.1
365.10809	0.1
391.12622	0.1
427.35074	0.1
435.11533	0.1
537.35956	0.1
549.36139	0.3
569.38354	0.6
613.37244	0.2
727.41339	0.4
763.40198	0.1
787.43115	0.2
877.45728	0.1
888.78052	0.1
893.49146	0.3
1005.50427	0.1
1023.51727	11.6
1024.51672	0.6
1037.52991	0.6
1048.78650	0.1
1059.51794	0.6
1065.52295	0.4
1083.53870	100.0
1084.54053	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	1119.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95860	0.1
82.63093	0.1
83.01386	2.5
85.02946	18.3
85.99625	0.2
86.00072	1.3
87.00344	0.3
87.00868	5.8
87.04493	1.6
87.24102	0.2
89.02438	8.6
90.86331	0.1
90.93000	0.1
92.11663	0.4
95.01379	3.9
97.02957	0.4
99.00871	22.4
100.01221	0.2
101.02432	15.1
103.04007	3.6
111.00858	0.8
112.01658	1.0
113.02440	16.3
115.00370	0.6
115.03991	2.8
119.03492	2.9
125.02422	0.6
127.03969	0.3
131.03494	5.7
133.01436	0.2
139.00372	2.3
141.01936	6.4
143.03503	7.2
145.01411	0.8
145.05063	1.6
157.01421	1.9
159.02979	1.0
161.04530	2.2
163.02466	1.8
163.06113	4.6
174.52307	0.2
191.02011	1.9
205.07185	6.6
247.08228	0.9
257.06686	0.2
257.20203	0.2
325.11441	0.2
326.10263	0.2
381.19244	0.2
391.30182	0.3
407.33264	0.3
444.99179	0.2
483.13394	0.2
583.36591	0.6
613.37897	0.2
691.28381	0.7
706.31433	0.3
707.31372	2.2
719.31537	1.4
738.29535	0.2
841.42432	0.4
853.42499	1.1
855.43335	1.3
909.48529	4.2
910.48969	0.3
923.51306	0.3
924.50903	0.9
939.49408	1.4
941.51331	2.9
942.52649	0.3
956.50049	0.2
969.50739	12.6
970.51392	0.9
1029.50940	0.2
1041.52954	0.7
1043.54431	1.3
1057.03516	0.2
1059.53833	100.0
1060.54175	6.1
1083.53772	49.2
1084.53870	4.7
1119.54236	0.8
1138.53992	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1120.795
Annotation	Unknow
Peak:m/z	Relative Intensity
80.35561	0.0
92.11749	0.1
107.05022	0.2
118.90092	0.0
129.07359	0.0
147.08151	0.3
151.78111	0.1
163.11285	100.0
163.33707	0.1
164.11588	1.4
180.57272	0.0
187.38365	0.1
187.83974	0.1
200.20152	0.1
339.23306	64.6
339.90579	0.1
340.23663	1.5
424.18848	0.1
514.21216	0.1
1110.23608	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	1121.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	0.2
83.01389	2.1
84.02151	0.2
85.02956	12.4
86.00109	1.1
87.00875	5.2
87.04526	1.2
89.02451	5.3
93.41396	0.1
95.01388	3.0
96.99306	0.6
97.02941	0.6
99.00880	8.4
99.04521	0.2
101.02443	7.2
103.04005	2.7
111.00883	1.5
112.01682	0.7
113.02453	9.7
115.00382	0.6
115.04007	1.9
119.03501	1.8
125.02426	0.3
127.04002	0.2
128.03551	1.3
129.01944	1.5
131.03496	4.1
139.00414	1.0
143.03514	4.9
145.05122	1.2
147.74365	0.2
152.08298	0.2
157.01436	0.8
157.06244	0.4
161.04604	1.2
163.06113	1.6
171.10301	0.2
205.07214	3.2
241.05731	0.1
257.37234	0.1
311.22345	0.2
329.07825	0.2
355.72339	0.2
457.36951	0.3
569.38202	0.2
581.39276	0.3
774.48712	0.2
800.47766	0.9
821.85138	0.2
870.15454	0.2
939.50580	0.2
1067.54370	1.1
1083.53894	2.3
1085.55359	100.0
1086.55505	5.3
1121.57324	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	1121.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03427	0.4
83.01381	2.1
84.02164	0.2
85.02945	11.7
86.00079	0.8
87.00864	4.0
87.04501	0.7
89.02437	5.8
95.01380	2.7
97.02913	0.6
99.00871	12.0
99.04486	1.6
101.02431	7.4
103.03995	2.1
111.00883	0.6
112.01640	0.8
113.02441	10.6
115.00371	0.3
115.03981	1.6
119.03471	1.5
125.02438	0.3
129.01881	0.4
131.03493	3.3
139.00349	1.0
143.03488	4.2
145.05058	0.9
157.01396	1.3
161.04543	1.3
163.06087	1.6
199.51048	0.2
205.07179	2.6
247.08405	0.2
259.48795	0.2
463.36105	0.4
483.38779	0.3
527.37854	0.3
535.81384	0.2
675.69684	0.2
759.43329	0.4
921.60089	0.2
967.52307	1.4
971.48486	1.7
1039.51648	0.8
1067.53210	0.6
1085.55347	100.0
1086.55518	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	1121.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95923	0.2
79.95706	0.2
81.03412	0.2
82.95421	0.2
83.01368	2.3
84.02164	0.3
85.02947	17.4
86.00094	1.1
87.00874	6.6
87.04494	1.8
89.01885	0.3
89.02443	7.9
92.11674	0.6
95.01402	2.1
96.95484	0.2
96.96015	2.5
97.02924	0.3
98.42657	0.2
99.00874	11.3
99.04571	0.2
101.02440	7.8
103.03993	2.2
111.00874	0.2
111.76201	0.2
112.01663	1.0
113.02445	14.4
115.00365	0.2
115.04002	2.6
119.03470	1.1
125.02429	0.8
128.03539	0.5
129.01962	0.8
131.03494	10.2
131.74661	0.2
139.00391	0.4
143.03502	9.3
145.05070	1.2
157.01416	1.4
163.06134	1.5
182.36751	0.2
205.07190	5.7
247.08385	0.3
320.09113	0.3
417.43900	0.3
521.36365	0.3
541.39429	0.7
585.37994	0.4
699.41333	0.9
775.26678	0.3
800.48120	0.4
929.44342	0.2
995.52222	18.7
996.52661	1.3
1023.51477	0.9
1067.55298	0.3
1083.53687	2.7
1085.55347	100.0
1086.55701	10.4
1121.57056	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95884	0.5
81.37458	0.3
83.01403	1.5
85.02946	12.5
86.00092	1.1
87.00867	4.8
87.04522	1.3
87.48687	0.3
89.02438	5.6
95.01366	2.8
96.99298	0.4
99.00873	7.9
101.02434	8.2
103.04005	2.3
111.00887	1.7
112.01656	0.6
113.02439	9.5
115.03981	2.3
119.03485	2.8
125.02435	0.4
129.01936	2.5
131.03506	3.4
139.00404	0.5
143.03506	6.1
145.05069	1.3
157.01476	0.6
163.06158	1.9
205.07141	3.3
205.54398	0.3
230.84540	0.4
320.09467	0.4
395.62677	0.3
483.66382	0.4
800.46564	0.6
939.49005	0.6
1067.53210	1.2
1083.53894	4.1
1085.55359	100.0
1086.55908	6.8
1121.57813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
82.95414	18.7
83.01374	2.5
85.02948	17.1
85.03472	0.4
86.00096	1.4
87.00871	6.9
87.04524	1.6
89.02438	8.5
92.11718	1.4
95.01385	1.9
96.95970	0.4
97.02960	0.3
99.00877	11.9
99.04528	0.3
101.02437	8.0
103.04005	1.9
111.00918	0.5
112.01678	0.6
113.02444	13.5
114.38386	0.3
115.03988	3.0
119.03506	0.4
125.02402	0.5
128.03500	0.4
131.03488	9.6
131.04388	0.5
137.67009	0.3
139.00404	1.2
143.03491	7.9
145.05092	1.7
157.01422	1.7
161.04605	0.4
163.06139	2.2
205.07184	5.1
317.61487	0.3
333.48035	0.3
434.40628	0.3
541.39105	0.7
893.51520	0.3
995.31842	0.6
995.52399	19.5
996.53271	1.1
1037.53052	1.6
1038.54285	0.4
1039.53784	0.5
1060.52478	0.3
1061.52612	1.4
1067.55615	0.4
1083.54370	4.3
1085.55396	100.0
1086.55884	10.5
1118.79248	0.3
1121.55481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	0.6
83.01384	1.0
84.02165	0.1
85.02946	3.1
87.00868	0.1
89.00298	0.1
89.02431	0.3
91.01888	0.3
93.03432	0.1
95.01357	0.1
99.00882	0.3
99.04514	1.0
101.02426	1.3
107.01348	0.6
108.02171	0.3
108.34914	0.1
109.02921	0.1
111.00877	1.7
113.02441	0.7
117.03447	0.1
119.03497	0.1
121.02946	5.4
122.03747	0.7
123.00879	0.4
123.04514	0.1
124.01674	0.1
125.02411	0.1
127.03999	1.7
128.86920	0.1
129.01938	1.4
131.03506	0.1
132.02170	0.4
133.02930	2.3
134.03705	0.3
135.00874	0.3
135.04526	0.4
136.01649	15.0
137.02467	0.5
138.03215	0.4
139.00383	0.1
141.03415	0.1
143.03502	0.1
143.05058	0.1
145.02956	0.3
145.06563	0.1
147.03015	0.1
149.02437	0.1
149.04549	0.5
149.05975	0.1
151.04004	24.1
152.04344	0.3
153.01927	0.2
153.05576	1.0
154.02663	0.1
154.99864	0.1
155.05020	0.1
157.02953	0.4
159.04494	1.0
160.05266	0.4
161.02434	0.3
161.04559	0.6
161.05919	0.2
162.03273	0.1
163.04027	0.3
166.02692	0.1
166.99854	0.3
167.05112	0.1
168.05803	0.1
169.06570	0.4
171.03032	1.0
171.04353	0.1
173.06093	0.1
175.07582	0.4
177.05598	0.1
179.03426	0.1
180.05762	0.5
181.05070	0.1
181.06551	1.3
182.02191	0.7
182.03680	0.1
183.04520	0.9
187.04088	0.1
187.78191	0.1
189.05609	0.3
191.03560	0.1
191.05504	0.1
193.05167	0.1
195.04478	0.1
196.05315	0.5
197.04533	3.3
197.06117	0.5
199.04037	0.5
201.05608	1.1
203.05487	0.1
203.07278	0.1
209.06075	0.1
211.04051	0.2
212.04703	0.1
213.05605	0.4
215.02005	0.3
219.08133	0.1
221.06647	0.3
222.05272	0.1
223.04074	0.3
224.04797	1.1
225.05595	1.1
227.03441	0.4
235.07596	0.2
237.05443	0.1
237.07436	0.1
239.03488	0.5
240.04340	0.5
241.05121	0.6
253.05161	0.8
253.08618	0.2
255.06575	0.1
263.07150	0.6
265.07175	0.7
267.03082	0.7
268.03796	7.9
269.04565	100.0
270.04926	2.0
270.07858	0.1
271.06042	0.2
279.06409	0.1
281.04965	0.1
281.08176	1.3
283.06131	0.3
291.06674	1.2
292.07288	0.2
293.08121	0.1
294.09012	0.2
296.10516	0.4
308.07346	0.1
308.10638	0.3
309.07776	4.6
310.08035	0.1
311.05637	4.8
311.13022	0.1
323.09180	0.8
324.10043	2.8
335.05621	0.4
337.05725	0.2
339.12393	4.6
342.11099	1.5
353.06302	0.3
357.13470	22.7
358.13910	0.5
369.08276	0.3
412.33533	0.1
413.07245	0.3
417.15576	0.1
473.10880	0.7
501.17957	0.1
535.10919	0.1
561.19720	0.1
614.90503	0.1
661.05078	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	1125.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
78.01109	0.2
78.96292	0.2
81.03455	12.2
83.01382	17.5
83.05031	0.5
84.02152	3.3
85.02946	90.8
86.03255	0.4
86.55427	0.2
87.00875	1.3
89.00335	2.4
91.01858	2.1
95.01380	1.7
97.02971	0.8
99.00871	0.8
99.04511	21.7
101.02431	1.1
106.00578	1.6
108.02184	1.0
109.02966	1.2
110.00106	0.2
111.00875	36.7
111.28677	0.2
112.01243	0.3
112.98792	0.3
113.02451	0.7
117.03457	1.8
119.05053	0.3
121.02943	41.6
122.03283	0.5
123.00869	8.4
123.04492	2.7
124.01630	0.2
125.02431	0.8
127.00379	1.9
127.04005	32.3
128.04359	0.3
129.01930	38.5
130.02280	0.2
132.02164	0.7
133.02974	0.8
134.03732	31.0
135.04135	0.2
136.98755	1.5
137.02443	2.0
137.99565	0.2
138.02158	0.3
138.03221	7.8
139.00375	4.1
139.04085	1.4
145.01419	0.3
147.02998	6.1
149.02466	1.8
149.06076	2.8
151.00443	0.3
152.01138	1.8
153.01932	1.2
153.05571	35.7
153.98993	0.3
154.02649	0.4
154.05923	0.3
154.99854	1.9
155.03506	0.3
160.01663	3.3
161.02467	0.3
163.03983	0.3
164.04828	1.6
166.02675	0.3
166.99846	6.9
167.03500	8.4
171.02983	19.2
172.03171	0.2
173.00906	3.8
175.03993	4.3
177.05695	0.2
178.02689	2.6
179.03448	0.4
181.01460	0.4
181.05074	0.4
181.06671	0.3
182.02214	22.8
183.02702	0.2
189.02194	0.4
189.04031	4.5
190.02773	0.3
191.01981	3.7
191.03517	0.4
192.04285	0.9
193.05054	27.3
194.05516	0.9
196.03822	1.7
197.04559	100.0
198.04900	2.2
202.06346	0.3
204.04291	0.3
205.05090	0.2
207.03008	1.1
207.06653	0.8
208.03809	0.3
215.01982	6.1
217.01434	0.3
217.08713	0.3
219.06595	0.2
222.05318	3.0
223.06131	2.8
233.03014	13.4
233.08076	0.9
235.06148	1.5
237.07669	3.1
250.04832	0.9
250.70277	0.2
251.04056	1.2
261.07681	2.9
265.07166	11.8
267.07275	1.0
268.03687	0.4
269.04565	19.5
270.04889	3.3
271.05679	0.3
279.05130	1.1
297.05988	0.2
305.06613	0.3
309.06204	2.9
319.12955	0.4
323.04068	0.3
327.07233	2.8
339.07523	0.4
341.05139	1.1
351.09726	0.3
353.05109	5.8
365.08752	1.8
367.06635	0.4
369.08310	4.9
371.06216	11.3
372.06699	0.4
383.06226	0.4
387.09662	0.2
401.07095	2.0
409.07483	1.1
413.07291	7.4
427.08948	1.7
431.08340	12.9
432.08932	0.3
503.11761	0.3
517.19244	2.6
547.11096	0.4
598.12152	0.2
607.13354	1.5
663.26599	0.4
664.28339	0.2
695.29211	0.5
696.29968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.5646
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01390	1.6
85.02949	10.3
86.00099	0.8
87.00874	4.0
87.04510	1.1
89.01881	0.1
89.02440	4.8
95.01380	2.5
97.02944	1.5
99.00875	6.6
99.04522	0.1
101.02435	6.7
103.04007	2.1
110.45362	0.1
111.00871	0.2
112.01655	0.7
113.02446	8.2
115.00349	0.4
115.04001	1.8
119.03487	1.2
125.02435	3.3
127.04027	0.2
131.03499	3.3
139.00385	0.9
143.03503	4.5
145.05055	0.8
157.01451	0.9
161.04558	0.9
163.06105	1.4
174.04515	0.1
199.01151	0.1
202.19359	0.1
205.07185	2.9
247.08195	0.1
302.74576	0.1
320.98785	0.1
551.37805	0.1
563.37292	0.1
583.40369	0.5
741.42407	0.4
967.53394	0.4
1005.53827	0.1
1049.53638	0.8
1067.54382	100.0
1068.54700	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	1129.5415
Annotation	Aescin
Peak:m/z	Relative Intensity
83.01372	3.0
84.02141	0.3
84.86562	0.2
85.02945	22.2
86.00080	0.9
87.00868	5.3
88.98780	0.9
89.02436	12.7
91.83261	0.2
92.05312	0.2
93.55627	0.2
95.01380	6.1
97.02920	1.2
99.00867	10.9
101.02432	15.5
103.03997	0.8
111.00870	1.9
112.01658	0.9
112.98835	0.2
113.02438	17.9
115.00311	0.2
115.04012	0.5
119.03481	4.6
123.00860	0.3
125.02406	0.8
129.01926	5.4
131.03485	6.5
139.00375	2.6
141.01967	0.2
143.03513	2.6
157.01419	1.2
159.02968	1.1
161.04539	8.5
163.06143	0.3
179.05612	2.3
205.07193	0.8
221.06674	7.9
232.13962	0.2
263.07730	1.0
300.08264	0.2
414.22156	0.2
502.21664	0.2
709.40009	0.3
727.40698	0.3
769.41803	0.7
787.43188	0.3
950.26300	0.2
965.14142	0.2
1007.51569	0.4
1037.52942	0.7
1038.53186	0.4
1039.53394	1.4
1051.51172	0.3
1053.55261	0.8
1065.33569	0.3
1067.54187	0.3
1068.54822	1.4
1069.52478	26.4
1070.52405	1.3
1097.55090	0.4
1111.53796	2.0
1129.54736	100.0
1130.54504	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	1129.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01390	3.1
85.02947	16.3
87.00888	5.9
87.04514	1.0
89.02448	5.0
94.64013	0.4
95.01379	3.4
99.00875	11.9
101.02444	8.7
103.04001	1.7
111.00928	0.5
112.01627	0.9
113.02444	14.1
115.04002	2.0
116.92881	0.6
119.03449	1.7
125.02414	0.8
131.03490	3.2
143.03503	4.0
145.05074	1.6
157.01418	0.5
161.04587	0.7
187.89946	0.4
205.07227	2.8
293.54388	0.5
294.05661	0.5
391.30255	0.5
427.87241	0.5
455.35413	0.5
559.39764	0.6
717.42035	0.9
941.51086	5.6
942.51703	2.4
981.53674	1.0
1043.53772	1.0
1067.53076	0.6
1069.52283	1.9
1073.55115	0.7
1083.52576	0.6
1085.55371	100.0
1086.56104	4.6
1117.05298	0.6
1129.54565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1130.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02316	0.3
83.01385	2.0
85.02945	14.4
86.00077	1.5
86.03264	0.5
87.00862	4.9
87.04508	1.6
89.02428	6.7
92.12427	0.7
95.01372	3.8
97.02939	1.8
99.00864	10.9
101.02425	10.3
101.87119	0.3
103.03998	1.9
111.00851	0.4
112.01693	0.9
113.02442	12.9
114.02750	0.4
115.03992	2.4
119.03488	2.4
125.02441	3.4
131.03468	5.4
139.00357	1.6
143.03482	6.0
144.03819	0.5
145.05116	0.8
157.01427	0.7
161.04558	1.8
163.06087	2.3
205.07140	3.6
588.45831	0.4
770.27905	0.4
1049.54175	1.3
1054.52515	0.7
1067.54297	100.0
1068.54773	8.7
1069.54810	14.2
1070.55103	36.3
1071.54834	0.6
1084.53674	1.5
1086.55835	1.4
1097.73645	0.6
1130.54956	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	1130.531
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01384	2.6
85.02944	16.5
86.00091	1.0
86.03278	0.5
87.00865	6.3
87.04471	2.2
89.02433	5.4
95.01385	3.2
97.02950	3.0
97.03508	0.4
99.00867	11.3
99.04523	0.4
101.02428	8.6
102.02836	0.3
103.04026	2.3
105.60376	0.3
111.00911	0.3
112.01659	0.5
113.02438	13.8
114.02798	0.5
115.03992	3.2
119.03489	1.6
125.02436	5.8
131.03496	4.9
139.00357	1.2
143.03493	6.4
143.26082	0.3
144.03784	0.4
145.05116	0.6
157.01431	0.7
161.04565	0.5
163.06137	1.5
205.07161	3.6
243.31465	0.3
244.51099	0.3
583.40027	0.3
1049.53516	1.2
1067.54297	100.0
1068.54834	8.8
1069.37158	0.4
1069.54810	15.6
1070.55200	42.1
1071.56104	0.4
1110.36829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1130.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
78.19165	0.4
83.01364	2.6
85.02470	0.9
85.02944	17.0
86.00073	2.0
86.03258	0.9
86.53436	0.4
87.00867	5.7
87.04494	1.0
89.02429	8.1
94.35320	0.4
95.01359	3.6
97.02940	2.4
99.00237	0.5
99.00874	11.7
101.02431	12.5
102.02758	1.0
103.03986	3.6
111.00878	0.6
112.01653	0.8
113.02430	14.3
113.03156	0.8
114.02754	1.0
115.03998	2.1
119.03469	2.2
125.02426	6.4
131.03485	5.9
139.00375	0.8
143.03513	7.5
161.04550	1.9
163.06140	2.7
164.87651	0.5
184.43234	0.5
205.07161	4.7
236.29871	0.5
255.41814	0.4
334.82510	0.5
741.41718	0.5
1049.52209	0.7
1067.54346	100.0
1068.55029	9.7
1069.54907	26.5
1070.55212	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01386	5.3
84.02163	2.1
85.02946	100.0
86.03262	0.3
87.00865	0.8
88.00675	0.2
89.00345	0.4
89.03928	0.2
91.01881	0.1
93.03478	0.2
101.02433	1.3
101.94542	0.1
103.00359	0.8
106.00588	0.4
108.02184	0.2
109.02903	0.2
111.00875	12.5
115.00395	0.3
117.03443	1.9
121.02946	8.2
123.00873	1.7
123.04509	1.0
124.01608	0.2
125.02421	0.2
127.00356	0.2
129.01930	46.8
132.02155	0.3
133.68147	0.2
134.03731	23.3
135.04506	0.4
136.98781	0.2
137.02429	0.9
138.03214	1.8
139.00389	1.8
139.04039	0.9
145.01372	0.3
147.02997	10.4
149.02426	1.3
149.06093	2.6
152.01195	0.3
153.05571	8.2
154.99837	0.3
160.01665	2.5
160.05951	0.1
161.02400	0.2
162.03087	0.2
163.04002	0.2
164.04828	1.1
166.02640	0.2
166.99841	1.1
167.03470	1.8
173.00903	14.0
175.03995	3.6
178.02705	1.7
179.03464	0.3
179.07039	0.2
181.01482	0.3
182.02228	3.7
185.31058	0.2
191.00294	0.3
191.01974	8.1
191.03679	0.3
193.05060	19.8
196.03754	0.9
197.04558	17.1
205.04944	0.3
207.03059	0.3
207.06586	0.6
209.03021	1.9
211.06075	0.3
217.01428	0.2
218.05887	0.2
222.05318	1.5
223.04199	0.2
223.06082	1.4
235.06139	0.3
237.07741	1.5
250.04793	0.2
259.06107	0.2
259.74814	0.2
261.07648	2.4
265.07159	4.8
270.40128	0.2
297.06076	1.0
305.06592	0.2
309.06219	0.8
323.07785	2.9
327.07248	10.0
341.05099	1.3
353.05112	0.7
367.06738	14.6
368.07138	0.2
369.37228	0.2
371.06226	14.1
372.06601	0.2
385.07779	5.0
389.02631	0.3
389.07297	6.0
397.07721	0.8
415.08960	0.3
565.12054	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	1131.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	5.1
84.02154	2.5
84.46870	0.2
84.62472	0.2
85.02948	100.0
86.03279	1.0
87.00883	0.9
89.00330	0.2
89.03976	0.4
91.01880	0.4
99.00851	0.2
101.02437	0.4
103.00367	1.0
108.02163	0.4
111.00878	14.3
112.01273	0.2
115.00391	0.2
117.03458	1.1
120.16647	0.2
121.02948	6.2
123.00877	1.7
123.04530	1.9
124.01654	0.2
124.81436	0.2
127.00349	0.3
129.01932	34.8
130.02235	0.3
133.02939	0.2
134.03732	16.4
136.98807	0.3
137.02461	0.9
138.03233	1.9
139.00359	2.2
139.04008	1.4
145.01427	0.7
147.02995	12.7
149.02444	2.9
149.06090	2.6
152.01106	0.4
153.05562	5.9
154.99931	0.2
160.01692	0.9
161.02388	0.2
163.04050	0.4
164.04779	2.6
166.02722	0.4
166.99866	0.6
167.03474	4.2
173.00902	13.5
175.03966	2.5
178.02734	1.2
179.07092	0.2
181.05026	0.3
182.02214	2.3
190.02824	0.2
191.01976	10.0
191.03709	0.3
192.04283	0.4
193.05058	16.1
194.05411	0.3
196.03712	0.4
197.04570	11.3
205.05135	0.3
207.02971	0.4
207.06683	0.3
209.03015	2.4
211.06137	0.3
217.01276	0.2
222.05333	1.0
223.06129	3.7
235.06139	0.7
237.07690	1.2
248.85696	0.2
250.04865	0.2
251.05595	0.2
255.88866	0.2
261.07733	1.2
265.07175	4.3
281.34882	0.2
297.06100	1.4
309.06241	0.4
312.75311	0.2
323.07733	1.9
327.07245	8.6
341.05215	3.5
353.05099	0.4
353.09143	0.2
359.06204	2.2
367.06729	13.7
368.07037	0.2
371.06232	7.7
371.10971	0.3
385.07739	3.6
389.07275	4.3
390.07443	0.3
397.07803	2.9
398.08655	0.3
415.09210	0.4
484.02383	0.2
535.11255	1.7
547.10480	0.2
565.12054	6.1
595.12915	1.4
1039.21497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	4.6
85.02943	35.5
85.79408	0.6
86.00091	2.8
87.00868	14.0
87.04511	3.3
89.02432	14.6
95.01384	10.2
96.99301	1.0
97.02951	1.2
99.00870	25.6
101.02438	23.5
103.04018	4.9
111.00861	1.3
112.01686	1.0
113.02440	33.7
115.04005	5.7
115.24979	0.7
119.03494	3.7
125.02406	0.8
129.01920	6.0
131.03485	13.3
139.00368	3.2
143.03505	14.4
145.05070	1.4
157.01454	1.1
161.04562	3.0
163.06097	4.2
205.07191	9.9
219.76234	0.7
400.24197	0.7
483.38058	0.8
603.42175	0.8
641.41229	1.4
707.97394	0.8
967.52789	43.0
968.52716	1.2
969.50427	6.6
1039.50928	3.2
1053.52637	24.2
1071.54639	33.6
1072.55151	3.0
1095.53455	1.5
1113.54858	100.0
1114.56030	7.2
1131.55908	80.8
1132.56274	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	1131.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01375	3.9
83.86903	0.5
85.02470	0.8
85.02953	21.1
86.00130	0.7
87.00859	5.6
89.02445	14.2
95.01369	7.6
97.02905	0.6
99.00877	12.3
101.02435	19.6
111.00903	0.7
112.01661	1.0
113.02444	17.7
115.04028	0.6
119.03477	4.5
129.01939	0.6
131.03511	6.0
139.00392	3.2
141.02051	0.7
143.03490	2.6
145.30304	0.5
157.01402	1.1
159.02983	0.8
161.04579	8.4
170.59375	0.6
179.05663	1.2
221.06679	8.6
245.11777	0.5
262.96738	0.6
263.07837	0.8
295.23001	0.7
347.83929	0.6
348.85599	0.5
370.57935	0.5
693.12549	0.7
911.50104	0.7
967.53192	3.0
1041.52759	40.4
1042.53772	2.4
1053.52417	2.7
1071.54199	2.4
1083.53015	0.9
1084.57239	1.0
1087.55518	0.9
1113.54871	10.9
1114.56409	0.9
1131.56030	100.0
1132.56055	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	1131.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	3.0
84.02113	0.3
85.02949	21.2
85.03435	0.8
86.00027	1.5
87.00868	7.6
87.04504	1.9
89.02439	10.2
95.01389	4.7
97.02875	0.6
99.00877	15.3
99.04445	0.5
101.02439	14.5
103.04009	3.3
105.93618	0.3
111.00888	2.6
112.01577	1.7
113.02444	18.8
115.00320	0.5
115.04014	3.5
123.46332	0.3
125.02316	1.2
127.03938	0.4
129.01909	0.4
131.03502	7.5
139.00371	2.7
142.62617	0.3
143.03497	9.4
145.05000	1.8
157.01488	1.9
161.04565	2.4
163.06111	3.3
163.11139	0.3
166.81514	0.3
191.01802	0.3
205.05429	0.3
205.07193	6.7
247.08154	0.4
367.79236	0.3
450.90570	0.3
451.36206	0.3
463.35788	0.6
483.38525	0.5
527.37396	1.0
532.33331	0.3
641.40564	1.4
911.49854	0.7
913.51025	0.6
949.51532	1.1
967.52795	69.1
968.53400	6.5
984.61847	0.3
1011.52136	3.8
1041.52588	0.3
1051.50977	1.1
1053.52490	2.8
1069.51917	1.8
1071.53833	100.0
1072.54138	10.6
1099.51685	0.5
1113.54663	1.1
1131.54993	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	1131.629
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	18.3
82.02984	5.1
84.04509	0.9
85.04064	30.7
86.02479	1.2
87.05628	12.5
88.04028	8.3
92.12426	1.3
96.31287	0.6
97.04065	1.0
102.00172	8.8
109.04046	3.7
109.04762	0.6
111.01980	1.2
113.03554	3.1
115.20415	0.8
115.85196	0.9
119.02822	5.3
122.98457	1.0
127.04166	0.9
127.05125	32.5
128.03523	88.4
135.05647	6.7
137.09666	0.9
145.06227	3.5
152.08305	5.5
152.99600	4.8
153.06691	4.6
157.06172	52.7
159.07771	1.7
165.12941	1.0
166.06216	7.9
168.04376	1.7
170.09363	1.2
171.10295	3.0
174.02284	20.7
178.06212	10.1
179.04613	9.3
184.04887	3.7
184.07300	3.6
191.04912	1.8
196.07256	21.1
209.11830	3.8
212.04871	1.1
214.08342	2.8
224.07133	0.9
224.10469	1.2
242.11655	1.0
248.07016	1.2
268.09503	6.4
279.23276	39.3
280.23618	1.1
286.10391	13.2
291.19669	5.7
300.12338	1.3
302.08185	4.3
309.20737	1.7
320.09222	100.0
321.09644	3.2
334.10742	6.6
341.32440	0.7
433.36475	0.8
796.51373	25.5
796.65576	1.1
797.51563	1.5
1054.54431	2.7
1072.55627	32.6
1073.56250	4.2
1113.61133	1.0
1131.63013	59.7
1132.63599	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	1133.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95943	0.2
81.03462	0.2
83.01384	2.1
85.02950	15.7
86.00079	1.1
87.00871	5.9
87.04522	0.9
89.02441	6.4
94.75456	0.2
95.01382	3.4
97.02962	0.3
99.00870	11.0
101.02437	11.0
102.02753	0.3
103.03998	2.2
111.00821	0.3
112.01673	0.4
112.51379	0.2
113.02450	12.9
114.02794	0.9
115.00336	0.4
115.03982	2.0
119.03487	1.8
125.02411	0.9
127.04028	0.3
131.03488	5.4
139.00348	1.3
143.03499	5.6
145.05078	1.1
152.01135	0.3
157.01395	1.1
161.04565	2.1
163.06129	1.8
167.00528	0.3
167.03529	0.3
183.75394	0.3
205.07144	4.4
231.05058	0.3
269.04492	1.3
541.21027	0.3
565.54498	0.3
1055.54431	0.4
1073.55408	100.0
1074.55762	21.6
1075.55835	8.1
1076.55737	3.6
1077.55542	1.0
1091.53186	0.3
1133.54517	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	1135.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01390	6.9
85.02949	24.1
85.65936	1.1
86.00079	1.0
87.00875	12.9
87.04513	1.6
89.02419	9.7
95.01385	6.0
97.02901	1.4
99.00877	22.0
101.02428	14.2
103.03992	1.7
111.00880	36.1
112.01665	1.5
113.01704	1.8
113.02448	31.5
115.00325	1.4
115.04009	2.1
119.03482	2.0
131.03468	10.2
139.00395	21.9
143.03494	11.2
148.23180	1.2
157.01517	1.7
163.06091	2.2
205.07227	6.2
239.14812	1.3
461.38589	1.3
495.32343	1.3
755.39960	5.5
846.35736	1.4
873.46033	1.6
935.44122	1.3
941.51074	23.1
942.51917	1.4
983.51428	5.8
984.52539	1.5
1019.52051	1.7
1027.51038	2.4
1028.52661	1.7
1055.54504	4.9
1075.55188	1.7
1081.52356	100.0
1082.52905	8.5
1099.53381	86.3
1100.53320	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	1135.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01390	6.9
85.02949	24.1
85.65936	1.1
86.00079	1.0
87.00875	12.9
87.04513	1.6
89.02419	9.7
95.01385	6.0
97.02901	1.4
99.00877	22.0
101.02428	14.2
103.03992	1.7
111.00880	36.1
112.01665	1.5
113.01704	1.8
113.02448	31.5
115.00325	1.4
115.04009	2.1
119.03482	2.0
131.03468	10.2
139.00395	21.9
143.03494	11.2
148.23180	1.2
157.01517	1.7
163.06091	2.2
205.07227	6.2
239.14812	1.3
461.38589	1.3
495.32343	1.3
755.39960	5.5
846.35736	1.4
873.46033	1.6
935.44122	1.3
941.51074	23.1
942.51917	1.4
983.51428	5.8
984.52539	1.5
1019.52051	1.7
1027.51038	2.4
1028.52661	1.7
1055.54504	4.9
1075.55188	1.7
1081.52356	100.0
1082.52905	8.5
1099.53381	86.3
1100.53320	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	1137.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03451	10.9
81.03927	0.4
83.01388	13.8
83.04993	0.4
84.02173	2.9
85.02950	97.4
86.03281	0.6
87.00846	1.3
89.02436	0.6
89.03976	1.5
91.01891	2.1
91.40946	0.3
95.01399	0.9
97.02948	1.6
99.00875	0.8
99.03870	0.7
99.04516	21.3
101.02439	3.0
108.02174	3.5
108.51967	0.3
109.02968	0.7
111.00884	31.5
113.02477	1.5
113.30467	0.4
117.03460	7.5
119.04988	0.4
121.02948	11.4
123.00884	3.6
123.04519	8.1
124.01618	0.5
125.02454	3.8
127.00365	0.8
127.04010	44.5
128.04349	0.7
129.01942	28.5
132.02202	0.4
133.02979	0.8
134.03741	78.1
135.04103	1.7
136.98813	0.8
137.02452	5.5
137.99629	0.4
138.03256	4.8
139.00371	6.5
139.04025	1.8
141.56981	0.4
145.02977	0.3
147.03004	6.0
149.02446	1.9
149.06075	12.1
151.03992	0.6
152.01195	5.4
153.01942	1.5
153.05580	13.1
154.02580	0.4
154.99875	2.2
160.01646	4.8
161.02457	0.7
161.06041	0.4
163.04005	0.7
164.04863	0.4
166.02734	0.5
166.99884	1.6
167.03493	25.5
171.02997	16.0
173.00847	1.3
175.04013	7.3
177.05450	0.4
178.02719	13.2
179.03442	1.7
181.01395	0.5
181.05115	0.4
182.02220	6.7
187.11386	0.7
189.04091	1.7
189.05711	0.3
190.10071	0.4
191.02026	0.7
191.03592	0.6
192.04230	0.6
193.05069	100.0
194.05482	2.2
196.03764	2.8
197.02739	0.9
197.04565	27.6
200.36166	0.4
204.04286	0.5
205.12344	0.4
207.03000	0.8
207.06697	0.7
215.01991	6.8
217.01430	0.7
219.06631	0.5
222.05336	4.8
223.06116	2.3
232.03783	0.6
233.03084	2.5
233.11871	0.7
235.06116	2.7
237.07704	4.8
250.04822	1.7
253.05078	11.5
261.07693	4.1
265.07214	15.4
279.05042	0.5
297.06351	0.4
309.06107	5.2
323.04224	0.5
327.06937	2.4
339.08331	1.7
342.11285	0.6
353.05142	0.8
357.13455	2.1
365.08832	4.9
367.06635	0.6
369.08289	4.9
369.13452	2.2
371.06317	1.7
383.06116	2.4
401.07169	0.7
409.07776	9.0
413.07111	2.5
427.08804	1.8
431.08221	2.6
457.81683	0.4
529.22931	7.7
547.11243	1.6
607.13336	1.9
963.39966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03450	14.6
81.74078	0.1
83.01381	16.6
83.05019	0.6
84.01676	0.2
84.02158	2.9
85.02943	63.6
86.03255	0.5
87.00871	0.5
89.00317	3.3
91.01878	1.6
91.05511	0.2
93.03449	1.2
95.01372	2.0
97.02935	1.1
99.00876	1.3
99.04507	19.7
101.02418	0.7
103.00344	0.1
106.00594	2.9
109.02927	1.2
110.00094	0.2
111.00872	38.8
112.01186	0.5
112.98799	0.5
113.02374	0.2
117.03445	0.7
119.01357	0.2
119.05012	0.7
121.02941	51.9
122.03253	0.8
123.00867	10.4
125.02399	1.3
125.99602	0.3
127.00374	2.5
127.03997	27.3
128.04376	0.2
129.01924	34.0
130.02281	0.1
132.02121	0.7
133.02966	0.1
134.03712	0.7
135.04524	1.2
136.01631	0.1
136.98795	1.8
137.02437	2.1
137.99557	0.6
138.03212	9.8
139.00359	6.0
139.04037	1.1
141.01923	0.2
144.88725	0.1
147.02994	3.1
147.04498	2.2
149.02432	30.1
150.02744	0.5
151.00342	0.3
151.04039	0.2
152.01144	1.4
153.02028	1.2
153.05566	38.4
153.99065	0.1
154.02701	0.8
154.05907	0.7
154.99863	1.9
155.03513	0.2
161.02444	0.2
163.04028	1.9
164.04785	22.6
165.01955	1.1
165.05219	0.6
166.02670	0.8
166.99846	8.7
167.03482	0.7
169.05061	0.9
171.02983	16.7
173.00934	1.4
175.00343	1.1
177.01894	0.5
177.05447	0.2
178.02679	0.2
179.03595	1.2
179.04877	0.2
179.05473	0.2
179.07106	3.5
181.01387	0.7
181.05092	0.6
182.02203	28.6
183.02534	0.2
187.03967	0.1
189.01959	0.9
189.04039	1.8
190.02722	4.6
191.01901	0.5
191.03503	1.0
193.01399	4.4
193.05061	1.1
194.01984	0.2
194.05804	0.4
196.03767	2.0
197.04556	100.0
198.04854	1.7
204.04266	0.8
205.03136	0.2
205.05063	6.7
206.02209	0.2
206.05719	0.8
207.02988	1.0
208.03769	10.4
211.05963	0.1
214.99983	0.3
215.01971	6.4
217.01445	0.6
217.05031	0.2
219.06622	0.2
221.08176	0.3
222.05345	4.0
223.06123	50.6
224.06459	0.8
232.03716	0.8
232.07393	0.2
233.02841	2.6
235.05959	0.2
237.04112	0.3
237.07658	4.7
247.09723	0.5
248.06804	0.2
250.04816	1.1
253.05067	15.1
254.05338	0.7
263.09109	1.0
265.07181	15.0
266.07397	0.3
284.03110	0.2
291.05106	0.6
291.08740	4.5
309.02795	0.2
309.06180	4.3
323.82846	0.1
327.07162	2.3
335.07657	0.5
353.05191	4.5
353.09402	0.2
354.05447	0.2
369.08295	4.1
371.06244	2.2
379.06604	0.3
387.09631	0.1
395.10074	1.8
397.07666	1.5
413.07288	4.7
431.08249	2.6
439.08871	1.7
457.09885	1.8
533.13147	0.2
554.01575	0.2
561.36029	0.1
577.11780	1.3
582.39404	0.2
637.14447	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	1139.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03454	14.6
81.03935	0.6
82.57355	0.3
83.01388	17.0
84.02161	3.6
85.02949	77.6
86.03306	0.3
87.00852	0.3
89.00321	2.7
89.03975	0.9
90.50597	0.2
91.01894	1.5
92.12395	1.1
95.01370	1.8
97.02940	1.3
99.00893	1.0
99.04517	24.3
101.02467	0.4
106.00579	2.8
109.02950	1.1
110.00133	0.3
111.00878	40.8
117.03462	2.0
121.02946	45.0
123.00876	9.1
123.04521	0.2
125.02451	1.7
125.99579	0.3
127.00349	2.7
127.04006	37.9
128.04416	0.2
129.01936	33.0
130.02324	0.3
132.02173	0.5
133.02968	0.3
134.03735	26.5
135.04468	0.4
136.98814	1.5
137.02429	2.7
137.99608	0.3
138.03227	9.4
139.00371	6.3
139.04001	1.6
141.01910	0.3
147.03001	5.3
147.04504	1.5
149.02444	19.5
149.06061	4.4
152.01207	0.9
153.01945	1.0
153.05576	38.7
154.02754	0.9
154.05917	0.4
154.99852	2.3
155.03490	0.5
160.01700	2.5
161.02483	0.5
163.04005	1.4
164.04787	16.2
166.02690	0.4
166.99849	7.4
167.03529	0.9
171.02988	17.6
173.00940	1.5
175.00331	0.4
175.03972	4.6
178.01192	0.5
178.02707	6.3
179.03484	1.1
179.07109	2.8
181.01485	0.4
181.05046	0.4
182.02219	23.7
183.02678	0.3
189.02068	0.3
189.04018	1.6
190.02760	2.1
191.01920	0.5
191.03488	1.0
193.01463	1.8
193.05066	37.3
194.05490	0.9
196.03809	2.6
197.04568	100.0
198.04880	1.7
204.04407	0.4
205.05083	3.2
206.05824	0.4
207.02974	1.1
207.06587	0.4
208.03815	5.6
215.01990	8.8
215.04019	0.3
217.01413	0.6
219.06654	0.5
222.05356	3.9
223.06137	36.2
224.06509	1.1
232.03854	0.4
233.02974	3.9
233.08110	0.3
237.07695	5.0
247.09775	0.3
250.04727	1.6
253.05090	1.0
261.07651	1.9
265.07208	17.4
268.03812	0.4
291.05737	0.3
291.08774	1.8
305.06796	0.3
309.06268	5.3
310.07071	0.2
327.07239	3.5
351.31094	0.2
353.05185	4.7
365.08813	1.4
367.06638	1.4
369.08286	5.6
371.06116	3.0
395.09665	1.6
397.07712	0.3
409.07672	1.7
413.07376	5.2
427.08948	1.1
431.08347	2.8
439.08899	1.7
457.09897	0.4
547.11041	1.3
577.11426	0.4
607.13031	1.3
637.15631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	13.3
83.01385	15.9
83.04990	0.4
84.02162	2.8
85.02946	54.9
86.03311	0.2
87.00882	0.3
89.00327	2.3
91.01885	1.4
92.52406	0.2
93.03455	0.9
94.64310	0.2
95.01399	1.9
97.02945	1.1
99.00864	1.4
99.04513	19.6
101.02444	0.3
106.00605	2.3
109.02930	1.0
111.00877	35.2
112.01190	0.2
112.98811	0.4
117.03481	0.2
117.24758	0.2
121.02946	47.4
122.03291	0.5
123.00871	9.3
124.01664	0.3
125.02428	1.5
127.00352	2.3
127.04005	27.4
129.01930	29.1
130.02338	0.3
134.03770	0.2
135.04506	1.1
136.98795	1.7
137.02429	1.3
137.99614	0.3
138.03220	8.9
139.00369	5.0
139.04018	1.1
147.03021	2.3
147.04459	1.5
149.02440	23.5
151.04005	0.3
152.01123	1.4
153.01981	0.8
153.05573	38.3
154.02753	1.1
154.05898	0.4
154.99892	1.1
161.02357	0.3
162.03262	0.2
163.03989	1.8
164.04791	18.4
165.01923	0.4
166.02730	0.5
166.99832	6.7
169.05072	0.3
171.02988	17.5
173.00894	1.2
175.00368	1.0
177.05612	0.2
179.03487	0.4
179.07103	3.1
181.01396	0.8
181.05045	0.4
182.02208	24.9
183.02617	0.4
184.22661	0.2
188.02930	0.2
189.02011	0.4
189.04060	1.6
190.02713	3.3
191.02017	0.5
191.03542	1.0
193.01407	3.6
193.05081	0.8
194.05836	0.3
195.77832	0.2
196.03799	1.7
197.04564	100.0
198.04898	1.9
204.04291	0.4
205.05080	5.0
206.05798	0.3
207.02972	1.0
208.03786	9.6
215.01981	6.3
217.01411	0.5
221.08250	0.5
222.05321	2.6
223.06136	41.6
224.06622	0.5
233.02946	2.7
237.07695	3.9
247.09744	0.3
248.06973	0.2
250.05008	0.8
253.05089	11.8
255.03082	0.3
263.09381	0.3
265.07193	14.7
284.03259	0.9
291.05426	0.3
291.08740	3.1
309.06213	3.9
327.07245	2.1
335.07565	0.3
353.05228	4.2
362.71021	0.2
369.08319	4.9
371.06177	2.7
387.09186	0.3
395.09821	1.8
397.07907	1.3
406.19244	0.3
413.07248	4.6
431.08246	2.7
439.08875	1.8
457.09967	1.6
577.11829	1.9
593.14960	0.4
637.14288	1.1
724.78198	0.3
1156.19067	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03459	16.8
82.88726	0.6
83.01381	20.4
84.01714	0.7
84.02168	4.3
85.02950	100.0
88.36973	0.8
89.00352	1.4
91.01880	7.5
92.12386	0.9
95.01392	0.9
97.02939	1.6
99.00898	1.4
99.04513	31.0
105.03453	2.9
106.00586	0.7
108.02187	10.0
109.02901	1.0
111.00877	46.6
117.03440	1.6
119.04993	0.9
121.02956	27.5
123.00891	6.7
123.04508	29.2
124.01694	3.0
125.02402	1.2
127.00325	1.4
127.04007	51.7
129.01935	42.7
129.02893	1.7
132.02116	1.0
133.02962	15.4
134.03743	25.5
137.02452	1.5
137.99577	1.1
138.03253	6.3
139.00371	4.5
139.04010	1.5
147.02998	6.2
147.04543	3.9
149.01262	1.1
149.02443	29.3
149.06035	5.2
152.01169	18.3
152.37305	0.7
152.92227	0.8
153.01866	0.9
153.05569	26.8
154.99905	1.5
160.01675	4.0
163.04018	1.5
164.04784	27.8
166.02684	0.9
166.99788	5.0
167.03494	74.5
171.02998	25.0
172.84947	0.8
173.00879	1.6
175.04010	5.3
177.01944	3.9
178.02766	5.6
179.07100	3.6
182.02219	14.2
186.12828	0.8
189.04012	1.5
190.02631	1.1
191.01848	0.8
192.04370	0.9
193.01373	4.4
193.05052	37.9
196.03766	4.0
197.04561	56.6
202.31114	0.7
204.04285	0.8
205.05093	4.1
207.06644	1.2
208.03766	8.4
215.02013	8.4
217.01619	0.9
222.05258	5.1
223.06126	52.6
233.03078	3.5
235.06195	6.7
237.07745	4.3
250.04829	1.3
253.04959	0.9
261.07751	3.2
265.07153	13.6
268.03748	0.8
269.04440	0.8
273.97769	0.7
279.05017	2.8
283.06409	1.0
291.08636	1.7
309.06265	4.3
323.04144	4.8
327.07126	3.5
339.07199	3.5
341.04965	0.8
349.05923	1.3
353.05170	1.4
365.08820	3.3
369.08224	5.5
371.06152	1.7
383.06088	8.0
401.07178	0.9
409.07874	1.2
413.07309	4.0
427.08871	1.2
431.08392	1.6
439.08640	1.4
577.12140	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02983	4.7
83.02505	1.6
84.00891	0.7
85.02946	1.9
85.04091	0.4
87.23225	0.3
89.02429	0.5
90.45449	0.3
92.12347	0.3
93.03458	1.7
93.84005	0.3
94.03014	0.3
95.01384	0.4
95.02496	0.6
97.00417	0.4
98.01228	0.3
99.00868	1.3
99.01994	10.6
101.02436	0.6
107.05006	0.5
108.00936	0.4
111.02005	2.8
112.05145	0.3
113.02440	1.4
113.03571	5.7
113.07147	0.3
115.08797	2.7
116.05054	3.6
117.03489	0.5
119.05022	12.0
123.01965	0.3
125.02666	0.4
125.03534	3.0
125.07175	1.6
126.83202	0.3
127.05127	0.3
127.08711	0.3
128.04637	0.5
130.04185	0.4
130.06232	0.5
130.08730	15.0
130.09702	0.5
131.03743	4.7
132.04541	2.6
132.05756	1.4
133.05305	1.2
134.06119	2.9
135.05661	0.4
136.04056	0.4
137.03583	0.6
137.07207	4.3
139.05122	2.8
141.06711	6.4
141.10345	1.1
142.06607	3.1
143.03549	0.4
143.11894	6.7
144.04591	0.4
145.02960	0.4
145.06595	0.3
151.05115	0.4
152.05974	0.4
152.08231	0.4
153.06708	5.8
154.09846	0.6
155.03258	0.3
155.08315	2.2
155.11852	0.5
156.04192	1.4
156.06674	1.1
157.05304	0.6
157.07750	0.3
158.06114	0.6
160.04044	1.3
162.05609	5.8
165.06628	0.5
166.09860	0.4
167.08255	0.6
168.04375	0.6
169.09859	2.7
170.09331	3.3
172.03920	0.4
172.10930	2.6
174.05589	2.2
177.03036	0.6
177.06717	1.6
179.04596	4.5
179.08203	2.8
180.07794	0.3
181.07722	1.9
181.09875	0.3
182.05736	1.2
182.09433	0.6
184.10791	0.4
187.05226	0.3
187.10936	2.0
189.06633	0.4
192.07748	0.5
195.62842	0.3
198.08925	2.0
198.12462	0.6
200.14052	5.5
201.04353	0.4
202.05086	0.6
204.07819	0.4
205.06192	12.1
210.08859	0.6
211.08806	4.3
211.11963	0.5
213.06775	0.5
213.08737	0.9
215.12007	0.4
217.06175	1.4
218.09364	0.4
219.07777	2.0
225.06715	1.5
226.12148	2.5
227.11543	1.3
229.13074	0.6
231.11409	0.4
234.08893	1.6
236.10464	1.3
241.09787	0.6
242.10771	0.3
243.08994	0.5
244.09836	2.3
244.12918	2.3
245.09445	0.4
253.13492	1.5
255.11082	1.6
255.15007	1.2
257.16187	1.2
259.10852	1.1
270.11017	0.4
272.17636	0.3
278.15201	0.5
279.11063	0.3
281.12833	0.4
302.11520	1.1
304.13065	1.9
316.13031	0.9
316.16690	2.9
324.13657	0.4
333.15744	2.8
335.17236	1.3
355.17859	0.4
361.15204	2.5
371.17282	0.3
373.18988	1.5
385.15216	1.1
399.16769	0.6
428.19250	0.5
456.18900	2.0
459.19995	0.5
516.21851	0.3
522.20929	0.3
552.25677	0.3
553.24689	0.5
555.26105	0.4
596.25214	0.6
658.30109	0.3
661.30914	0.4
702.29272	1.3
841.39612	0.4
941.49713	0.3
1059.45984	16.9
1060.46533	1.3
1070.95471	0.3
1103.48462	100.0
1104.48596	9.8
1139.46118	14.2
1140.45654	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	1141.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	4.3
84.02156	2.0
85.02944	100.0
86.03287	0.8
87.00871	1.1
89.02481	0.1
89.03970	0.2
89.99335	0.1
91.01888	1.3
92.12455	0.2
99.00877	0.3
101.02438	1.0
101.12128	0.2
103.00347	0.6
108.02146	2.6
109.02946	0.7
111.00872	12.7
115.00313	0.1
117.03471	1.9
121.02860	0.2
123.00874	0.8
123.04512	8.6
124.01647	0.7
125.02425	0.6
129.01927	47.8
130.02234	0.2
132.02141	0.3
134.03728	24.1
135.04463	0.2
136.01651	0.3
137.02429	0.8
139.04053	0.3
141.87022	0.1
145.01431	0.7
145.03003	0.1
147.02997	12.6
149.06084	3.2
151.04047	0.1
152.01141	4.2
153.01511	0.1
154.99887	0.5
158.03696	0.2
160.01668	2.4
161.02451	0.2
161.04492	0.2
162.03316	0.2
163.02620	0.1
163.03958	0.3
164.04712	0.2
165.01913	0.2
165.04137	0.2
166.02748	1.0
167.03485	22.1
168.03827	0.2
173.00896	13.9
174.03262	0.2
175.03970	4.6
176.04796	0.2
178.02699	1.9
181.05067	0.8
189.05528	0.3
191.01965	8.8
192.04286	1.4
193.05055	22.3
194.05301	0.2
197.04533	0.2
199.15155	0.1
207.06592	2.3
209.03012	2.4
209.04747	0.2
217.04973	0.2
218.05890	0.2
220.03754	0.2
231.74200	0.1
232.80699	0.1
233.08110	0.2
235.06128	4.9
261.07736	2.1
269.04663	0.2
279.05078	0.7
285.04172	0.2
295.65994	0.1
297.06161	9.7
323.04050	0.7
323.07721	2.8
341.05154	19.0
342.05740	0.3
349.05591	0.2
359.06250	7.0
367.06705	20.2
368.07193	0.2
385.07791	5.7
517.09412	0.2
535.10980	24.6
536.11133	0.9
561.25452	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	1141.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
79.51723	0.1
82.01711	0.5
82.02980	0.7
82.06625	0.3
83.01395	0.1
83.02505	2.2
84.00908	1.1
84.26693	0.1
85.02950	0.3
85.04082	1.7
87.05621	0.3
92.10522	0.1
93.03436	1.2
95.02499	1.5
96.96017	0.1
97.00419	0.3
97.04065	0.3
98.01205	0.5
98.02424	0.2
99.00912	0.6
99.01999	11.3
99.05637	0.3
100.00391	0.2
101.02446	0.5
101.03529	0.1
107.05029	0.7
109.02914	0.1
109.04073	0.7
110.01243	0.3
110.02487	0.1
110.06166	0.2
111.02007	1.9
112.05176	0.9
113.02415	0.6
113.03571	6.8
113.07224	0.5
115.08770	3.2
116.05060	3.9
117.03503	0.2
119.05019	12.0
122.04862	0.2
123.01994	0.2
125.03570	2.0
125.07213	2.4
126.05676	0.4
127.04251	0.2
127.05136	2.7
127.08769	0.7
128.03642	0.3
128.04659	1.0
130.06129	1.6
130.08730	19.2
131.03745	0.7
132.04553	1.2
132.05762	0.2
133.05334	0.8
134.06120	3.5
135.05679	0.5
136.04089	0.2
137.03598	0.3
137.07199	6.2
138.05650	0.7
139.00409	0.1
139.01491	0.2
139.05132	0.8
139.08768	0.5
140.04768	0.2
140.07201	0.2
141.06706	6.4
141.10326	1.0
142.06613	2.2
143.08276	0.6
143.11909	9.7
144.04565	0.3
144.07764	0.2
145.02953	0.3
146.06102	0.2
149.07190	0.2
151.01503	0.2
151.05130	0.7
151.08783	0.3
152.04779	0.1
152.05948	0.2
152.08325	0.5
153.06703	6.1
153.07945	0.2
153.10222	0.2
154.09825	1.0
155.03346	0.2
155.08276	3.7
155.11931	0.6
156.04161	1.7
156.06657	1.1
156.07813	0.2
157.05336	0.7
157.07750	0.2
158.06049	0.4
160.04085	1.0
160.61105	0.1
162.05606	8.2
163.04015	0.2
163.08771	0.2
164.07132	0.2
164.08391	0.1
165.06731	0.7
165.10330	0.5
166.06273	0.1
166.09816	0.6
167.04626	0.2
167.08263	1.2
168.04276	0.3
168.07851	0.2
168.11465	0.2
169.09818	4.1
170.05823	0.2
170.09354	3.5
171.07767	0.2
171.11395	0.2
172.10930	6.3
173.07155	0.2
174.05582	0.9
175.07536	0.1
176.07179	0.5
177.06723	1.3
179.04640	2.7
179.08261	3.7
180.06683	0.3
181.06247	0.3
181.07745	2.7
181.09843	0.8
182.05774	0.6
182.09348	1.4
183.05606	0.1
183.11404	0.3
184.07518	0.5
184.10913	1.1
186.12505	0.3
187.10886	3.9
188.07091	0.1
189.06763	0.4
191.08299	0.7
192.07855	1.2
193.06241	0.2
194.09425	1.0
196.08803	0.2
198.08849	2.2
198.12526	1.0
199.10945	0.4
200.10690	1.5
200.14069	12.0
201.06668	0.5
202.05138	1.0
203.04715	0.6
203.08284	0.6
205.06218	2.0
206.09393	0.7
207.07797	0.7
208.11018	0.2
209.10432	0.7
210.08856	2.5
210.10648	0.2
210.12634	0.2
211.08829	1.7
211.12039	1.8
212.05638	0.1
212.10466	0.5
212.14084	0.5
213.06650	0.4
213.08879	0.9
214.11963	0.2
215.08366	0.2
217.06221	1.6
219.07784	2.2
220.10951	0.2
222.12474	0.3
224.10443	0.6
225.06741	2.3
226.12013	3.4
227.11571	2.4
228.06697	0.2
229.13113	1.8
231.11440	0.3
233.13005	0.2
234.08894	2.4
236.10358	1.1
237.06737	0.1
237.08855	0.3
238.12013	0.3
239.11537	0.8
240.07314	0.1
241.09825	0.2
241.13118	0.7
242.09381	0.3
242.18826	0.7
243.11426	0.9
244.09889	1.2
244.13049	3.0
250.12012	0.2
253.09848	0.5
253.13464	0.7
255.11179	1.6
255.15065	1.5
257.12735	0.3
257.16235	2.9
261.12579	0.5
262.08368	0.5
263.11545	0.6
267.11029	0.5
267.14502	0.1
268.14294	0.2
269.12692	0.1
270.10846	1.1
272.14090	0.3
272.17758	0.6
273.12567	0.5
276.09961	1.2
276.13574	1.4
278.15134	4.1
281.12625	0.9
283.14209	0.5
284.13571	0.3
285.09909	0.2
286.12070	0.2
286.15369	0.3
288.10175	0.2
288.13538	0.5
290.15106	0.9
293.12698	1.0
294.16110	0.6
295.14148	0.2
298.12125	0.2
298.15335	0.2
299.10486	0.4
299.13943	0.2
299.20880	0.8
300.13446	0.2
301.15210	0.2
304.13110	2.3
306.14832	0.4
306.18152	0.2
312.13324	0.2
315.14624	1.3
316.13074	2.6
316.16730	4.5
317.16602	0.1
319.10519	0.2
329.19958	0.5
333.15756	10.7
335.17340	3.1
338.14951	0.2
342.14713	0.1
345.15805	0.2
347.17261	2.3
355.17816	0.6
356.23010	0.9
361.15268	3.9
362.15790	0.1
363.16544	0.2
363.20493	1.1
369.15686	0.2
370.14566	0.2
373.14923	0.2
373.18954	3.3
375.16678	0.2
378.21640	0.2
382.21097	0.1
386.22150	0.5
387.16760	1.2
390.17841	1.5
391.16306	0.2
392.19199	0.2
394.21283	0.2
395.00345	0.2
399.16980	0.7
404.19781	0.2
407.19504	1.5
412.19977	0.2
418.17441	0.5
428.19693	0.3
430.16992	1.2
440.19904	0.1
453.21356	1.2
456.18689	0.5
485.29175	0.2
496.22168	1.1
506.26178	1.0
519.22791	0.2
527.25983	0.1
529.28638	0.1
532.23962	0.2
536.25189	2.5
541.46838	0.1
555.25787	0.2
558.23645	0.5
561.26587	1.1
563.28326	0.2
584.28290	0.2
598.25995	0.1
633.30334	0.2
635.32043	2.4
657.30560	0.1
661.29504	0.9
673.30518	0.9
690.32654	6.3
691.33911	0.2
692.34058	1.1
704.31421	0.2
717.32684	0.5
724.34119	0.2
734.35278	1.8
853.38495	2.3
869.45380	0.8
870.45660	1.7
871.46155	1.9
897.24170	0.1
897.41675	4.4
930.40155	0.2
1061.47449	17.9
1062.48291	0.6
1087.48645	1.0
1105.50037	100.0
1106.49683	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	1143.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
79.92753	0.1
81.03456	2.4
83.01392	7.2
84.02160	2.4
85.02951	100.0
85.20171	0.1
86.03281	3.7
87.00865	0.8
89.00323	0.3
89.03967	0.8
90.02347	0.2
91.01875	1.4
92.11680	0.4
95.01368	0.4
97.02956	0.7
99.00869	0.9
99.04518	5.0
101.02438	1.1
103.00362	0.6
106.00587	0.3
108.02184	2.6
109.02959	0.9
111.00881	18.6
112.01233	0.3
112.98837	0.1
113.76425	0.2
115.00362	0.2
117.03465	2.3
117.70626	0.1
119.05038	0.2
121.02950	6.1
123.00900	2.4
123.04517	7.7
124.01653	0.8
124.04825	0.7
125.02464	1.5
127.00350	0.7
127.03051	0.3
127.04015	9.9
129.01938	41.6
130.02292	1.6
132.02177	0.9
133.02985	0.3
134.03740	31.4
135.03993	1.3
136.01665	0.2
136.98788	0.2
137.02448	2.2
138.03215	2.1
139.00385	2.7
139.04037	0.9
139.17735	0.2
145.01553	0.2
147.03011	10.6
148.03360	0.3
149.02403	0.6
149.06088	4.5
150.06421	0.2
151.03975	0.2
152.01172	3.1
153.01804	0.2
153.05588	6.4
154.02698	0.2
154.99858	0.9
160.01659	4.9
161.02481	0.8
162.03279	0.6
163.03989	0.9
164.04852	0.8
165.01947	0.3
166.02702	1.2
166.99843	0.9
167.03505	16.4
168.03868	1.2
171.02994	4.1
173.00934	9.3
174.01244	0.8
175.04019	9.3
176.04454	0.7
178.02708	4.1
179.03391	0.2
181.01489	0.2
181.05093	0.4
182.02237	3.4
189.02158	0.2
189.04039	0.7
189.05621	0.4
191.01996	6.6
191.03680	0.4
191.07074	0.2
192.02525	0.3
192.04308	1.3
193.05077	34.6
194.05383	1.8
196.03806	1.2
197.04585	15.9
198.04890	0.2
200.04811	0.2
202.06392	0.9
205.05029	0.2
207.03024	0.7
207.06668	1.8
209.03036	1.7
215.02017	1.9
217.01503	0.2
217.05147	0.2
217.08725	1.0
218.05809	0.7
219.06589	0.2
221.00516	0.2
222.05411	1.8
223.06181	1.0
232.03760	0.2
233.03082	1.3
233.08189	0.6
235.06136	4.3
236.06467	0.3
237.07722	2.1
250.04768	0.3
259.06073	0.8
261.07730	4.1
262.08191	0.2
265.07208	6.1
269.04529	0.8
279.05109	0.8
287.05762	0.2
295.69012	0.2
297.06177	5.5
298.06537	0.7
299.06738	0.3
305.06735	0.3
308.69669	0.2
309.06158	1.8
323.04282	0.3
323.07706	1.3
327.07315	1.5
341.05173	8.2
342.05508	1.2
349.05511	0.2
353.05060	0.2
359.06192	3.7
360.06598	0.3
365.08829	1.0
367.06750	9.0
368.07132	1.5
369.08270	1.1
371.06277	1.5
383.06320	0.3
385.07898	2.7
386.08051	0.6
389.07199	0.2
409.07880	1.5
413.07336	1.0
427.08743	0.6
431.08112	0.6
441.90027	0.2
471.12735	0.2
491.11517	0.5
503.11774	0.2
535.02850	0.2
535.11029	6.4
536.11328	2.9
537.11829	1.5
547.10999	1.0
561.25262	0.7
565.12335	0.2
607.12915	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03457	12.2
83.01386	14.3
83.05048	0.3
84.02163	3.7
85.02949	100.0
86.03282	0.5
87.00860	1.0
89.00338	1.0
90.10522	0.2
91.01884	2.6
93.03431	0.3
95.01390	2.0
96.96004	1.1
97.02921	1.2
97.33057	0.3
99.00872	0.6
99.04514	18.8
101.02431	0.5
103.00384	0.3
106.00594	1.2
108.02174	7.6
109.02946	2.0
111.00879	40.4
112.98880	0.3
113.02455	1.3
115.00464	0.2
121.02947	74.2
122.03292	0.4
123.00884	8.3
123.04510	18.9
124.01630	2.8
125.02416	2.1
127.00372	1.4
127.04007	38.1
129.01933	34.6
131.05009	0.4
133.02983	0.4
133.06598	1.6
134.03694	0.5
135.04501	1.1
136.01659	1.4
136.98772	1.0
137.02437	1.0
137.09718	1.1
138.03218	3.7
139.00363	2.9
145.02963	0.3
145.19539	0.2
147.03000	5.0
147.04494	0.5
149.02444	9.9
151.00320	0.4
151.03990	1.4
152.01151	7.5
153.01932	0.5
153.05579	17.0
154.99849	1.7
159.04485	0.3
161.06024	2.4
161.69666	0.2
163.00290	0.3
163.04027	1.8
164.04784	9.8
166.02705	4.0
166.99852	3.5
167.03493	37.8
171.02998	17.8
171.04309	0.4
173.00896	1.5
174.03215	1.4
175.04021	0.4
176.04782	0.6
179.03677	0.4
179.07118	1.3
179.10814	0.3
181.08713	1.1
182.02194	9.7
183.02605	0.3
189.02606	0.3
189.04036	2.1
189.05583	5.0
190.02719	1.4
191.01982	1.0
191.03535	1.0
191.07100	0.4
192.04314	7.0
193.01468	1.8
193.05022	0.5
196.03798	0.3
197.00868	1.5
197.04570	36.7
197.11879	0.3
198.05000	1.4
199.05049	0.4
202.02773	1.2
205.05067	1.7
207.03096	0.3
207.06628	8.0
208.03784	3.4
215.02005	7.0
217.01517	0.4
220.03726	1.8
222.05322	0.6
223.03937	0.6
223.06151	15.3
224.06508	0.3
233.02942	1.7
235.06123	23.2
236.06468	0.4
237.07817	2.0
251.05580	1.3
261.04001	0.3
263.07819	0.4
265.07184	6.4
271.06119	0.4
279.05133	5.7
291.08673	1.0
293.06595	2.6
295.04605	2.0
297.06149	2.2
309.06250	0.6
323.04175	2.4
327.07111	1.3
337.05807	2.9
339.07245	6.8
353.05124	1.1
355.06784	3.1
359.06424	0.3
369.08221	1.7
371.06387	0.9
383.06049	1.9
395.09677	0.4
401.08658	1.1
413.07086	1.7
431.08148	0.6
439.08499	0.4
445.07852	1.8
457.09854	0.6
473.16428	0.5
505.10028	2.2
505.19296	16.5
1109.63135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
80.80619	0.1
83.00917	0.3
83.01389	5.4
84.02164	2.1
85.02948	100.0
86.03284	0.8
87.00888	1.1
89.00342	0.5
91.01868	0.3
93.03459	0.2
95.01370	0.2
99.00889	0.5
101.02440	0.9
103.00359	0.7
106.00578	0.6
109.02962	0.2
110.00074	0.2
111.00878	13.2
112.98769	0.2
115.00366	0.2
117.03514	0.2
121.02944	12.2
122.03249	0.2
123.00877	2.3
123.04543	0.8
124.01667	0.2
125.02449	1.4
125.38306	0.1
127.00360	0.6
127.03947	0.3
129.01933	46.3
130.02246	0.3
132.02145	0.2
134.03764	0.5
135.04501	0.3
136.98782	0.2
137.02446	1.0
138.03242	2.6
139.00377	2.5
139.03989	1.0
145.01436	0.5
147.01817	0.2
147.03006	10.7
147.04478	1.3
149.02444	18.4
151.00323	0.3
151.03989	0.2
152.01183	0.8
153.01935	0.3
153.05569	9.0
154.99896	0.3
163.03993	1.1
164.04791	13.1
165.01956	0.2
165.05312	0.2
166.02704	0.5
166.99911	1.2
167.03467	1.5
172.21884	0.2
173.00903	12.8
175.00380	0.6
175.03998	0.1
177.01880	0.3
178.06351	0.1
179.03468	0.3
179.07132	1.4
181.01431	0.3
182.02205	4.5
189.01881	0.2
190.02707	2.8
191.01976	8.3
191.03456	0.5
193.01445	1.1
193.05064	0.9
196.03735	0.6
197.04567	19.6
198.04945	0.2
205.05066	3.3
206.05832	0.2
207.02946	0.8
208.03772	2.3
209.03001	1.7
211.06117	0.6
219.06592	0.2
222.05333	1.5
223.06142	19.1
224.06456	0.3
232.03751	0.5
233.04514	0.3
237.07744	1.5
248.06898	0.3
250.04857	0.5
250.82002	0.1
255.02960	0.2
259.06088	0.3
263.09265	0.3
265.07184	5.5
269.04495	0.2
271.02386	0.2
284.03455	0.2
291.08737	1.9
300.02731	0.3
309.06235	0.6
327.07248	10.1
328.07443	0.2
335.07748	0.2
353.05145	0.3
353.08853	2.7
371.06244	13.7
372.06485	0.2
389.07275	6.9
397.07809	14.1
398.08051	0.3
415.08905	5.3
491.12274	0.2
503.14032	0.8
595.13165	8.9
596.13037	0.5
755.19885	0.2
833.12140	0.2
919.58508	0.1
939.07294	0.2
943.74164	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	6.9
83.01385	10.8
83.05012	0.4
84.02164	2.6
85.02947	100.0
86.03307	0.9
87.00865	0.5
89.02433	0.5
89.03963	0.8
91.01878	3.9
91.51186	0.2
92.11668	0.4
95.01389	0.4
97.02931	1.2
99.00900	0.4
99.04513	13.7
101.02438	0.9
103.00348	0.3
108.02177	9.5
109.02966	2.3
111.00877	29.3
113.02478	0.4
117.03445	3.2
118.53525	0.2
119.05060	0.3
119.08670	0.3
121.02943	0.5
123.00883	3.8
123.04512	24.9
124.01657	3.9
124.04881	0.2
125.02444	1.9
127.00304	0.3
127.04005	29.9
128.04338	0.2
129.01933	27.5
130.02316	0.2
132.02153	1.6
133.02954	0.8
134.03732	47.6
135.04153	0.3
136.01645	1.3
137.02437	2.6
137.09734	0.5
139.00348	0.3
139.04044	0.3
146.03754	0.8
147.02994	6.6
147.04317	0.3
149.02386	0.2
149.06088	8.3
151.00401	0.3
151.04018	1.1
152.01158	10.8
153.01912	0.4
153.05574	0.4
154.99858	1.4
159.04469	0.4
160.01660	11.9
161.02376	0.9
162.03256	0.9
163.03949	0.4
163.07658	0.2
164.04790	1.2
166.02695	4.3
167.03490	57.7
168.03845	1.1
171.02989	13.3
171.04465	0.5
173.00977	1.6
173.06107	0.4
174.03241	1.2
175.03996	19.7
176.04724	0.5
177.05516	0.4
178.02702	7.9
181.08687	0.9
189.04126	1.6
189.05455	1.8
190.02716	0.3
191.01981	1.3
192.04301	5.4
193.05060	60.5
194.05386	1.1
197.00919	0.5
197.04581	0.9
197.11864	3.5
202.02769	0.9
202.06422	2.1
207.03104	0.3
207.06628	7.1
215.01997	6.5
217.05096	0.9
217.08734	2.0
218.05760	1.6
220.03758	1.3
223.09697	0.5
233.03009	1.8
233.08136	1.8
235.06123	18.4
241.10802	2.9
261.04401	0.5
261.07684	9.0
279.05121	7.3
283.11908	2.2
297.06198	3.3
305.06512	1.0
323.04105	1.8
323.07568	0.4
339.07242	5.4
341.05225	3.2
343.14029	1.3
349.05545	0.4
361.93521	0.2
365.08801	4.1
367.06775	1.6
371.06424	0.9
383.01413	0.4
383.06201	6.3
401.07272	3.8
403.16034	4.4
409.02689	0.3
409.07840	7.1
410.08157	0.3
427.08679	2.1
473.10880	2.4
517.02283	0.4
517.09882	7.8
565.21393	8.0
566.21527	0.3
577.12054	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	1143.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01402	1.9
85.02950	12.9
86.00098	0.2
87.00867	2.7
89.02441	7.0
93.17611	0.2
95.01374	3.7
97.02942	1.3
99.00871	6.6
101.02435	8.8
111.00873	0.3
112.01650	0.3
113.02445	10.0
114.58512	0.2
119.03491	2.4
125.02429	2.3
131.03497	4.2
131.65791	0.3
139.00403	1.6
141.01947	0.5
143.03513	1.2
149.04561	0.3
157.01437	1.0
159.03043	0.5
161.04564	5.8
179.05650	1.4
221.06693	6.3
263.07874	0.3
350.71710	0.3
476.96375	0.2
584.02765	0.3
584.16010	0.3
723.40930	0.3
969.50745	2.1
983.52893	0.3
1065.53491	1.0
1083.53857	100.0
1084.53833	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	1143.5597
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03400	0.1
83.01382	1.7
84.02168	0.2
85.02943	13.0
86.00079	1.1
87.00868	5.0
87.04508	1.1
89.01878	0.1
89.02434	4.0
95.01376	3.0
96.95988	0.1
97.02971	0.7
99.00869	31.5
99.04525	0.4
100.01209	0.1
101.02430	7.6
103.03997	2.0
103.33447	0.1
111.00886	0.5
112.01656	0.8
113.02438	15.9
115.00337	0.5
115.03994	2.0
119.03483	1.7
125.02445	0.4
127.04015	0.1
129.01965	0.2
131.02750	0.1
131.03490	3.8
139.00360	1.3
141.01932	13.6
142.02333	0.1
143.03497	5.5
145.05067	0.9
157.01404	1.1
161.04532	1.4
163.06126	1.8
205.07176	3.4
247.23033	0.1
437.34290	0.1
465.33743	0.2
485.36584	0.5
529.35333	0.1
543.14386	0.1
643.38464	0.4
767.15747	0.1
768.87860	0.1
823.45203	0.1
867.48120	0.1
941.51251	8.1
942.51532	0.4
951.48480	0.4
967.53076	0.2
969.50684	30.5
970.51038	1.9
1036.50342	0.1
1065.53162	0.4
1083.53821	100.0
1084.54004	8.0
1143.50879	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.5596
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	1.2
84.02171	0.2
85.02947	13.5
86.00094	1.4
86.03242	0.1
87.00872	6.1
87.04514	2.0
89.02435	3.6
89.02956	0.1
95.01379	2.0
96.99305	0.4
97.02947	0.4
99.00875	9.1
99.04525	0.3
101.02440	4.0
103.04004	1.4
109.02932	0.1
111.00871	1.2
112.01659	1.0
112.98836	0.4
113.02444	11.6
114.02782	0.2
115.00377	0.3
115.04002	3.1
119.03510	0.6
125.02452	0.4
127.04008	0.2
129.01933	5.4
131.03491	8.1
139.00365	0.9
143.02368	0.2
143.03500	6.0
145.05042	1.2
157.01431	1.4
163.06131	1.3
187.98524	0.1
191.05450	0.1
205.07167	3.7
247.08235	0.2
333.90234	0.1
348.83893	0.1
537.35291	0.1
549.36188	0.4
569.38739	0.5
613.37201	0.2
727.40662	0.3
787.42078	0.2
893.48755	0.2
1023.51758	13.9
1024.51794	0.9
1065.52417	0.4
1083.53870	100.0
1084.54150	8.2
1143.50244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.56
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01370	1.9
85.02947	15.4
86.00076	1.0
87.00864	5.0
87.04501	1.5
89.02434	4.9
92.12502	0.2
94.20757	0.2
95.01373	3.3
97.02935	0.5
99.00874	31.9
100.66553	0.3
101.02431	8.1
103.04008	2.1
111.00896	0.3
112.01665	1.0
113.02448	16.0
115.00420	0.4
115.04005	2.1
119.03470	1.6
125.02431	1.1
127.04005	0.4
131.03491	4.8
139.00403	1.3
141.01942	13.9
143.03500	5.7
145.05055	1.0
152.43660	0.2
157.01447	1.4
161.04567	1.4
163.06114	2.4
177.23036	0.3
205.07193	4.6
332.32724	0.3
368.11813	0.3
437.34460	0.4
465.34149	0.3
615.39935	0.3
941.51154	11.3
951.50171	0.5
969.50714	35.0
970.51257	1.8
1067.54492	6.2
1068.54456	0.5
1083.53870	100.0
1084.54297	5.7
1116.08838	0.4
1175.87427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
81.87770	0.6
83.01384	1.4
85.02946	13.5
87.00894	5.3
87.04542	1.1
89.02449	5.9
95.01375	7.5
96.95988	4.8
97.02957	1.4
99.00871	14.1
101.02424	7.1
103.03986	1.3
111.00923	0.6
112.31673	0.7
113.02452	14.3
115.04010	2.4
119.03504	2.1
123.00870	4.8
125.02448	2.3
131.03490	3.9
139.00398	1.1
141.01920	5.0
141.49290	0.6
143.03499	6.2
145.05045	1.3
157.01411	0.8
161.04570	1.0
163.06143	3.3
168.56862	0.7
200.56898	0.6
205.07196	3.4
213.19923	0.6
239.70898	0.6
548.54053	0.7
713.83075	0.8
782.11200	0.8
792.64270	0.8
917.86536	0.7
941.50995	1.0
969.51056	3.1
1045.56006	0.8
1065.52869	100.0
1066.53308	5.7
1083.29810	1.2
1083.53833	36.0
1084.54102	0.8
1143.53760	1.1
1177.26025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.5599
Annotation	Unknow
Peak:m/z	Relative Intensity
79.94595	0.2
83.01383	1.7
85.02952	10.2
86.00085	0.4
87.00880	4.9
87.04502	1.1
89.02430	4.7
95.01395	2.4
96.88780	0.2
97.02931	1.8
99.00870	7.6
99.04488	0.3
101.02432	7.6
103.04002	1.9
103.38916	0.2
111.00931	0.3
112.01687	0.5
113.02445	9.9
115.00390	0.3
115.04000	1.5
119.03514	1.1
125.02438	5.6
131.03485	4.3
139.00336	1.0
143.03494	5.0
145.05093	0.4
157.01447	0.9
161.04564	0.5
163.06145	1.5
205.07196	3.7
213.14064	0.2
353.81082	0.2
425.34265	0.3
757.41571	0.4
939.47467	0.3
1065.53650	0.9
1083.53809	100.0
1084.53503	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	1145.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	1.5
85.02467	0.4
85.02950	9.2
86.00106	0.4
87.00875	4.1
87.04477	0.6
89.02425	4.1
95.01365	2.5
97.02940	0.3
99.00877	9.9
99.04532	0.6
101.02436	6.0
103.04018	1.3
113.02446	7.7
115.00357	0.3
115.03979	0.6
119.03490	1.1
120.81564	0.3
125.02425	0.3
131.03511	3.1
135.64253	0.4
136.49657	0.3
139.00375	0.6
143.03496	2.7
145.05052	0.5
157.01442	0.6
161.04631	0.5
163.06148	1.5
203.02724	0.3
205.07239	1.6
255.82437	0.3
263.90671	0.3
319.82843	0.3
386.89362	0.3
465.26358	0.3
483.38776	0.4
613.09692	0.3
733.02344	0.3
759.43439	0.5
934.09418	0.3
967.52332	1.5
1039.51746	0.6
1067.54797	1.1
1085.55408	100.0
1086.55359	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	1145.5758
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03423	0.1
82.47247	0.1
83.01385	1.7
84.02172	0.1
85.02945	11.1
86.00082	1.0
87.00870	4.3
87.04509	1.0
89.01889	0.1
89.02438	4.0
92.12433	0.3
95.01380	2.6
96.99327	0.4
97.02943	0.7
99.00874	7.7
99.04523	0.1
101.02431	6.4
103.04006	1.6
106.83942	0.1
110.60995	0.1
111.00871	1.4
112.01672	0.5
112.98811	0.2
113.02442	8.8
115.00355	0.2
115.04002	1.7
117.78281	0.1
119.03497	1.4
125.02444	0.5
128.03430	0.1
129.01932	1.8
131.00751	0.1
131.03481	3.1
139.00383	0.8
139.01376	0.1
143.03500	4.9
145.05067	0.6
157.01486	0.5
161.04561	0.7
163.06142	1.2
205.07202	2.3
263.16995	0.1
457.37076	0.2
569.38373	0.1
581.38605	0.4
759.43805	0.2
786.19550	0.1
939.50781	0.4
1025.51831	0.2
1053.51208	0.1
1067.53552	0.9
1085.55371	100.0
1086.55542	4.9
1109.55408	3.3
1110.55603	0.2
1145.50720	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	1145.5755
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01387	2.1
85.02945	14.0
86.00074	0.9
87.00864	4.9
87.04507	2.3
88.19680	0.4
89.02441	5.6
92.12416	0.8
95.01364	2.4
99.00877	10.2
101.02442	8.4
102.99072	0.4
103.03983	1.0
111.00848	0.5
112.01677	0.5
113.01707	0.7
113.02447	13.2
115.04045	2.8
119.03528	0.5
131.03500	8.0
143.03494	6.7
145.05054	0.9
155.07664	0.4
156.35378	0.5
157.01416	0.9
163.06161	1.7
205.07133	3.5
308.35861	0.4
464.12973	0.5
541.39044	0.6
928.26593	0.4
995.52271	22.7
996.52179	1.9
1053.03589	0.5
1083.53271	0.9
1085.55359	100.0
1086.55786	10.6
1180.63599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.575
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	1.8
85.02950	11.5
86.00098	1.3
86.41689	0.3
87.00883	5.1
87.04519	1.2
89.02429	3.9
95.01382	2.5
99.00874	7.8
100.31939	0.3
101.02441	6.8
103.04001	1.5
105.40146	0.3
109.57987	0.3
111.00858	1.3
112.01661	0.7
113.02450	7.7
115.00388	0.3
115.04004	1.8
119.03479	1.5
125.02386	0.4
128.03508	0.4
129.01907	2.5
131.03470	3.2
139.00374	0.6
143.03520	4.3
157.01410	1.5
161.04575	0.5
163.06122	1.4
189.08652	0.4
193.93440	0.4
205.07178	2.7
260.63730	0.3
320.09375	0.7
491.73206	0.3
1067.55200	1.3
1085.55408	100.0
1086.55737	8.3
1145.52954	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	1146.5283
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01394	1.7
85.02946	16.6
86.00087	1.5
86.03273	0.4
87.00872	7.9
87.04498	2.2
89.02437	4.1
92.66248	0.1
95.01366	2.2
96.99287	0.3
99.00873	11.5
99.04513	0.3
100.01215	0.3
101.02439	4.2
103.04004	1.5
111.00864	1.6
112.01659	1.2
112.98835	0.2
113.02447	13.5
114.02760	0.7
115.00343	0.3
115.04006	3.4
116.04292	0.2
119.03485	0.4
125.02444	0.4
129.01935	6.8
130.02261	0.3
131.03488	9.5
132.03822	0.3
139.00360	0.9
140.53082	0.2
143.03496	6.9
144.03838	0.3
145.05087	1.1
157.01421	1.1
163.06111	1.7
191.05675	0.2
205.07196	4.5
301.78946	0.2
372.38834	0.2
449.26645	0.2
569.39404	0.3
727.41229	0.7
893.48859	0.3
940.49078	0.2
1023.51666	12.5
1024.52185	1.1
1025.51868	1.8
1026.52747	3.0
1065.52856	0.2
1083.53845	100.0
1084.54175	8.0
1085.54468	11.3
1086.54797	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1146.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01373	1.7
85.02943	13.8
86.00070	0.4
87.00849	2.7
89.02431	7.4
95.01353	3.4
97.02930	1.4
99.00873	6.9
101.02428	8.6
111.00842	0.4
112.01688	0.4
113.02438	11.9
119.03484	2.9
125.02466	2.6
129.01920	0.6
131.03479	5.1
139.00383	1.9
143.03526	1.8
157.01476	0.7
159.03015	0.6
161.04527	6.1
178.31235	0.3
179.05623	1.4
206.63211	0.3
216.52028	0.3
221.06657	5.7
230.56769	0.3
291.21948	0.4
331.50815	0.3
435.28412	0.4
588.12628	0.4
745.42535	0.4
1065.51599	0.7
1083.53784	100.0
1084.53955	7.1
1085.53516	3.0
1086.54968	9.0
1102.55249	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	1147.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01370	3.6
85.02956	12.7
87.00871	4.1
89.02423	7.4
95.01390	3.6
99.00872	13.5
101.02423	15.2
113.02428	15.6
119.03499	1.1
121.92148	0.9
131.03529	4.0
134.05714	0.7
139.00328	0.8
157.01424	0.9
161.04533	1.6
167.83322	0.8
289.49075	0.8
415.19312	1.4
459.46042	0.9
764.46460	1.0
1072.64929	0.9
1147.55322	100.0
1148.55957	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	1149.524
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	1.7
85.02948	11.5
86.00095	1.0
86.03319	0.3
87.00878	5.4
87.04506	1.0
87.36370	0.2
89.02432	5.7
89.02886	0.3
94.98085	0.4
95.01396	2.3
99.00871	8.2
101.02435	7.7
103.04008	1.5
111.00916	1.0
112.01689	0.3
113.02447	11.0
115.00352	0.3
115.04010	2.1
119.03500	1.7
125.02473	0.3
129.01935	4.5
131.03490	5.0
139.00395	1.2
143.03503	5.7
145.05051	1.1
157.01457	1.3
161.04604	1.2
163.06126	1.9
205.07219	3.7
247.37791	0.3
326.09085	0.2
769.40594	0.3
828.84753	0.3
995.52814	0.9
996.52997	3.7
1004.88214	0.3
1030.36853	0.3
1053.52832	11.7
1054.53113	1.0
1085.54602	1.7
1086.55713	14.7
1088.56018	0.4
1089.55640	1.3
1095.54724	0.4
1113.54932	100.0
1114.54810	7.8
1169.76379	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0399
Annotation	Ethyl pyruvate
Peak:m/z	Relative Intensity
55.29416	3.4
71.01367	18.6
81.02797	3.5
87.04506	8.9
87.78288	3.3
88.04842	3.5
112.37951	3.5
114.93382	23.8
115.03992	100.0
116.02533	3.9
116.07167	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0764
Annotation	dimethyl ethyl acetic acid
Peak:m/z	Relative Intensity
59.01381	4.5
64.16934	0.3
65.01438	0.5
69.03432	0.3
71.01382	6.6
71.05016	1.9
76.48560	0.4
89.01442	4.9
92.12430	0.4
97.02955	0.4
97.06590	0.3
97.93127	3.2
114.93403	7.3
115.00359	0.5
115.04037	4.7
115.07645	100.0
116.02545	14.1
116.03371	0.8
116.07189	17.7
116.07970	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	1153.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01372	0.3
85.02948	0.3
91.01880	0.3
91.62234	0.1
92.66356	0.2
97.50694	0.2
101.02424	0.7
107.01392	0.7
108.02247	0.2
113.02453	0.2
121.02937	0.2
123.00859	0.2
123.04559	0.2
125.02438	0.2
132.02174	0.3
133.02950	2.7
134.03716	0.2
135.04517	0.3
136.01657	5.4
137.02423	0.9
151.00389	1.6
151.04004	8.9
151.05231	0.3
152.04520	0.3
157.02991	0.2
159.04509	1.3
160.01567	0.2
166.02702	4.2
167.03517	0.3
169.06651	0.2
171.04378	0.2
174.02789	0.2
177.98657	0.2
179.07126	0.2
180.05829	0.6
181.05084	6.7
181.06584	1.1
183.04497	0.3
187.03938	0.2
196.05299	0.6
197.06081	0.8
199.04012	0.7
199.08765	0.2
201.05621	1.0
211.03918	0.2
213.05692	0.2
223.04062	0.3
224.04770	1.0
225.05533	1.2
227.03540	0.3
237.05650	0.2
239.03506	0.3
240.04352	0.3
242.41888	0.2
245.40918	0.2
253.05019	0.7
255.02992	0.2
255.10355	0.3
267.02957	0.8
268.03772	8.0
268.07242	0.8
269.04556	100.0
270.04941	2.7
271.06012	0.2
279.06723	0.3
280.07446	0.3
283.06357	0.4
283.09763	0.9
291.06659	1.0
293.08255	0.3
296.06906	0.8
308.06854	1.4
309.07660	0.9
311.05682	4.3
311.09180	0.6
321.07611	0.3
322.08405	0.6
323.09265	2.0
324.06268	1.0
324.10104	0.7
329.10245	0.2
335.05734	0.6
338.11505	0.8
339.08725	6.7
340.09018	0.2
354.11185	1.9
357.09805	2.1
369.13437	7.0
372.12210	1.8
375.34406	0.2
387.14520	16.2
388.14484	0.2
470.84113	0.2
473.10953	0.4
566.75446	0.2
964.73993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.544
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03471	0.2
83.01385	1.5
85.02952	8.6
86.00081	0.9
86.03253	0.2
87.00875	3.6
87.04492	0.6
89.02441	2.6
95.01382	2.2
97.02946	1.5
97.93085	0.2
99.00876	6.1
99.46117	0.1
101.02433	5.6
103.03997	1.4
104.69574	0.2
109.59612	0.2
111.00918	0.4
112.01681	0.4
113.02445	7.4
114.93393	0.7
115.03992	1.1
119.03506	0.8
125.02437	3.6
127.04010	0.8
131.03496	2.5
131.43744	0.2
136.14439	0.2
139.00427	0.3
143.03505	2.9
145.05057	0.7
157.01445	0.4
161.04605	0.7
163.06120	0.4
180.92209	0.2
205.07195	1.6
247.08218	0.2
318.99405	0.2
344.68701	0.2
581.68188	0.2
583.39648	0.3
741.42023	0.3
879.51154	0.8
881.28931	0.2
960.94000	0.2
1005.54895	1.0
1037.53430	0.3
1067.54382	1.1
1091.54346	1.2
1109.55371	100.0
1110.55469	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	1155.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	5.5
82.98608	0.2
83.01389	20.4
84.02165	3.2
85.02952	100.0
86.03281	0.4
87.00877	1.1
88.41865	0.2
89.00349	1.3
90.46873	0.2
91.01887	0.4
93.03453	1.0
95.01383	1.2
97.02944	0.4
99.00865	0.9
99.03872	0.3
99.04517	10.7
101.02424	1.0
103.00349	0.3
106.00627	1.7
109.02962	1.2
110.00098	0.4
111.00887	65.4
112.01199	0.2
112.98812	0.4
113.02419	0.8
121.02954	31.0
123.00875	6.3
124.01630	0.2
125.02456	0.7
125.99636	0.7
127.00366	2.9
127.04012	20.9
129.01939	38.0
132.02161	0.4
133.52400	0.2
135.04541	1.1
136.98795	1.6
137.02432	3.6
137.99577	0.4
138.03226	6.6
139.00375	7.9
139.04018	1.0
145.01442	0.2
145.02957	0.2
147.03009	6.4
147.04514	1.3
149.02448	24.3
149.59128	0.2
150.02910	0.2
151.00394	0.8
151.04051	0.2
152.01189	1.2
153.01994	1.4
153.05577	26.8
153.99086	0.3
154.02711	1.1
154.99867	4.5
155.03442	0.5
161.02449	0.8
162.03302	0.2
163.04002	2.2
164.04802	19.4
165.01857	0.4
165.05226	0.2
166.02719	1.2
166.99875	4.4
167.03532	0.2
169.05046	0.5
171.03004	9.8
173.00935	3.7
173.02370	0.3
175.00356	1.2
177.01909	0.5
178.02710	0.8
179.03557	2.0
179.07158	2.6
181.01433	0.7
181.04999	0.9
182.02216	13.1
184.03886	0.2
189.02180	1.7
189.03987	2.5
190.02716	4.1
191.01968	2.8
191.03555	1.3
193.01425	4.3
193.05019	1.5
194.05847	0.9
196.03784	3.0
197.04572	61.9
198.04941	0.8
204.04253	0.8
205.05093	6.7
206.05786	0.8
207.03038	2.5
208.03804	8.7
209.08147	0.2
215.01993	3.2
217.01434	0.9
217.05200	0.2
219.06641	1.9
221.08205	0.9
222.05357	7.6
223.06148	35.8
224.06552	0.7
232.03799	0.5
233.03006	14.5
235.02493	0.3
237.04178	2.0
237.07706	11.8
247.06088	0.2
247.09720	1.0
248.07042	0.3
250.04840	2.0
251.04063	1.2
259.87225	0.2
263.05502	0.3
263.09158	0.8
265.07196	19.0
266.07437	0.3
267.07178	1.3
269.04581	5.9
281.06647	0.2
291.05130	2.3
291.08743	4.2
300.98111	0.2
309.06207	10.7
327.07239	4.7
335.07870	1.4
353.05139	3.3
369.08322	4.7
369.12894	0.2
371.06223	9.1
379.06674	0.4
387.09695	0.2
395.10202	1.4
397.07504	0.4
413.07318	3.7
431.08359	14.8
439.08917	1.2
457.09973	2.4
517.19177	3.8
577.12012	0.3
614.65027	0.3
637.13947	1.2
1052.81311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	12.7
83.01386	14.1
83.05034	0.5
84.01727	0.2
84.02178	2.4
84.66942	0.1
85.02948	53.6
85.50529	0.1
86.03277	0.5
87.00871	0.5
89.03961	0.7
91.01889	7.3
92.11722	0.5
95.00837	0.1
95.01398	0.4
97.02947	0.7
99.00893	0.5
99.04514	19.4
101.02429	0.5
106.04240	0.1
108.02172	14.9
109.02982	1.7
111.00879	34.4
112.01221	0.1
113.02424	0.2
117.03447	2.5
121.02950	0.3
122.03693	0.1
123.00893	2.5
123.04517	36.9
124.01661	1.9
124.04862	0.5
125.02423	1.2
127.00372	0.3
127.04005	26.7
129.01936	30.5
130.02264	0.2
130.42181	0.1
132.02159	0.5
133.02959	0.5
134.03735	31.1
135.03998	0.3
136.01651	0.6
136.98727	0.1
137.02437	1.8
139.00395	0.5
139.04010	0.6
139.39238	0.1
147.02997	3.3
147.04338	0.2
149.06079	5.1
151.04028	0.7
152.01157	25.4
153.01828	0.5
154.99889	1.3
160.01648	3.0
161.02423	0.2
163.04031	0.5
164.04782	0.5
166.02689	2.1
167.03496	100.0
168.03816	1.5
171.02991	15.6
172.03368	0.2
173.00902	1.6
174.03194	0.8
175.03990	5.6
176.04774	0.2
177.05406	0.1
178.02718	6.3
179.10828	0.3
189.04068	1.1
189.05591	0.6
190.02704	0.1
191.01945	0.7
191.03491	0.2
191.07162	0.6
192.04289	3.4
193.05063	42.6
194.05420	0.9
197.00868	1.4
202.02774	0.6
202.06348	0.5
207.03252	0.1
207.06642	3.8
213.84679	0.1
215.02014	6.3
215.04073	0.2
217.08711	0.5
218.05902	0.2
220.03773	0.9
233.02962	2.1
233.08310	0.5
235.06129	13.5
236.06493	0.2
249.06317	0.2
261.03894	0.2
261.07693	2.9
279.05127	4.0
297.06155	1.9
305.06674	0.6
312.00110	0.1
323.04132	5.6
323.07623	0.2
332.45407	0.1
339.07242	4.3
341.05109	2.8
343.08237	0.1
345.94666	0.1
349.05609	0.2
365.05197	0.1
365.08847	1.8
367.06766	1.1
383.06210	6.3
401.07346	3.2
409.07800	2.3
427.08878	1.8
429.17471	0.2
436.29846	0.1
451.87003	0.1
473.10785	0.2
517.10046	1.8
533.19147	0.9
535.10931	0.2
567.83984	0.1
577.11975	1.9
578.13354	0.1
1116.91565	0.1
1135.42542	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	1157.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03447	7.8
83.01382	14.8
84.02151	1.3
85.02946	31.9
86.03258	0.2
89.00362	1.7
89.00821	0.2
91.01826	0.8
93.03443	5.1
93.10620	0.2
95.01388	1.3
97.02944	0.4
98.31709	0.2
99.00838	0.3
99.04512	10.1
106.00587	1.7
107.01379	15.9
108.99268	0.2
109.02926	1.2
111.00875	20.2
117.03453	1.3
119.05013	37.3
120.05372	0.3
121.02943	26.8
122.03263	0.3
123.00873	5.2
123.04459	0.4
125.02420	3.8
127.00366	1.2
127.04001	13.9
127.17352	0.3
129.01930	17.1
132.02132	0.3
133.02921	1.6
135.04520	1.3
136.69884	0.3
136.98796	0.6
137.02437	2.0
138.03212	4.9
139.00348	2.5
139.03964	0.6
143.05032	1.1
145.02946	5.0
147.02971	1.8
147.04518	0.5
149.02438	13.6
150.02814	0.3
151.00372	72.8
152.01010	1.3
153.01984	0.5
153.05576	21.5
154.05925	0.4
154.99887	1.0
161.06126	1.1
163.04044	1.8
164.01170	0.3
164.04803	9.3
165.01926	6.5
166.02808	0.3
166.99875	4.4
167.03557	0.4
169.01440	7.3
171.03003	8.3
173.00885	0.6
175.00319	0.5
177.01921	7.0
179.03493	0.4
179.07137	1.6
182.02223	15.0
183.02515	0.4
185.06073	2.8
187.04019	3.6
189.01990	0.3
189.04027	0.6
189.62534	0.3
190.02696	2.1
193.01457	3.5
193.05115	0.3
196.03804	0.6
197.00926	1.1
197.04568	52.9
198.04887	1.6
203.06801	0.2
205.05084	3.0
206.05772	0.4
207.03029	0.5
208.03766	5.3
215.01982	3.2
217.01334	0.3
222.05389	1.3
223.06137	22.9
224.06548	0.4
227.07149	4.8
229.05095	0.3
233.02997	1.3
237.07668	1.9
253.05171	1.1
265.07190	8.0
269.04639	1.2
271.06137	100.0
272.06445	2.8
291.08777	1.2
295.06100	0.3
295.50305	0.3
302.88760	0.2
309.06320	2.1
313.06955	0.3
327.07144	1.3
335.07990	0.3
353.05179	2.5
355.06622	4.6
369.08264	1.6
371.06100	1.3
395.09875	1.3
413.07321	2.8
431.08362	1.0
433.11627	0.9
439.08978	0.4
457.10254	0.9
475.12491	57.6
476.12723	2.3
505.72366	0.3
519.11438	1.7
637.13959	0.5
1017.47534	0.3
1025.42041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1158.6921
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	4.0
84.92871	0.3
85.02953	2.3
87.00858	2.0
89.02442	15.6
95.01344	0.5
101.02440	8.2
113.02447	8.1
119.03509	5.3
131.03491	0.8
142.05145	0.3
143.03539	2.4
149.04518	0.3
152.99577	4.4
161.04536	3.0
168.04266	1.7
179.05621	5.8
198.09003	0.3
224.06871	0.7
242.08025	1.9
255.23325	100.0
256.23755	0.8
279.23303	27.6
321.24472	0.4
323.09854	8.8
341.10904	39.5
342.11606	0.4
346.87732	0.4
409.23541	4.7
423.25241	0.5
480.30988	38.0
554.34650	3.5
603.33997	11.9
652.90588	0.4
729.92432	0.4
890.94379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	4.7
85.02945	17.7
86.00082	0.9
87.00855	7.1
87.04507	1.0
89.02439	5.4
92.11697	2.4
95.01375	3.0
99.00870	11.5
101.02431	8.1
103.03994	2.9
111.00876	28.9
111.01656	1.0
113.02449	21.2
115.00325	1.1
115.03985	3.0
119.03495	1.2
125.02441	0.7
126.06177	0.5
131.03516	5.5
139.00378	16.3
143.03488	7.0
145.04977	0.7
157.01436	2.0
161.04536	1.9
163.06125	1.0
205.07195	4.7
281.24997	0.5
460.99130	0.6
597.37726	0.7
679.38873	0.7
755.40259	2.0
873.45392	0.7
915.68085	0.6
941.51337	20.1
1019.51953	1.1
1055.53662	3.8
1081.52271	100.0
1082.54468	3.9
1084.41211	0.6
1099.53296	68.7
1100.54041	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	116.0505
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
59.01372	1.0
67.68217	0.2
71.01368	0.2
71.05014	0.2
73.02943	3.9
75.00842	0.2
88.46676	0.2
89.01447	0.4
98.02503	0.2
99.00852	0.7
99.91862	0.2
99.92577	27.8
116.02560	3.0
116.05057	37.0
116.07166	8.7
116.92853	100.0
117.01949	1.1
117.05408	1.5
121.11546	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1161.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	4.7
84.02164	2.0
85.02951	100.0
86.03268	0.5
87.00861	0.7
89.00327	0.3
89.03954	0.2
90.27512	0.1
91.01907	0.3
95.01349	0.2
99.00877	0.2
101.02441	1.0
101.90132	0.1
103.00363	0.6
106.00610	0.5
108.02164	0.2
111.00880	12.9
115.00341	0.5
117.03459	0.8
119.05016	0.2
120.45889	0.1
121.02952	10.2
123.00889	1.6
123.04517	0.8
125.02393	0.2
127.00354	0.5
129.01938	46.2
130.02272	0.1
132.02167	0.3
134.03741	11.8
135.04489	0.2
136.98830	0.3
137.02448	1.1
138.03238	2.3
139.00360	1.6
139.04027	0.8
145.01443	0.6
147.03004	11.1
147.04468	0.9
149.02449	9.9
149.06087	1.4
151.04044	0.1
152.01141	0.6
153.02026	0.2
153.05579	9.2
154.02800	0.2
154.99913	0.2
160.01585	0.9
161.02464	0.2
163.03976	0.6
164.04799	8.2
165.01927	0.2
166.02646	0.1
166.99844	1.1
167.03499	1.8
173.00914	13.1
175.00389	0.3
175.04002	1.9
177.01901	0.2
178.02716	1.0
178.50850	0.1
179.03488	0.2
179.07086	1.1
181.01414	0.3
181.05003	0.1
182.02200	4.1
189.01978	0.1
190.02794	1.6
191.01991	8.7
191.03503	0.6
192.04253	0.2
193.01407	0.7
193.05067	10.5
194.05600	0.2
196.03737	0.9
197.04567	19.1
198.04773	0.2
204.04285	0.2
205.05052	2.3
207.03018	0.4
207.06665	0.1
208.03813	1.3
209.03021	1.7
211.06100	0.6
218.05765	0.2
219.06665	0.2
222.05377	1.1
223.06149	10.7
224.06438	0.2
232.66339	0.1
235.06125	0.5
237.07684	1.7
248.06778	0.2
250.04857	0.5
250.83521	0.1
261.07709	0.9
263.09140	0.1
265.07202	4.6
291.08740	1.2
297.06036	0.7
309.06165	0.8
323.07770	1.7
327.07260	9.9
341.05215	0.9
345.08185	0.2
353.05069	0.5
353.08844	1.5
359.06122	0.6
367.06790	6.2
368.06924	0.2
371.06247	12.7
385.03250	0.2
385.07834	2.7
389.02588	0.2
389.07339	6.7
397.07776	6.8
398.08322	0.1
415.08896	3.2
498.19672	0.1
565.12036	5.8
595.13116	4.4
822.11365	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	1161.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
83.00915	0.2
83.01388	5.3
84.02168	2.4
85.02949	100.0
85.11403	0.1
86.03294	0.7
87.00875	0.8
89.00324	0.6
89.03973	0.4
93.03436	0.1
95.01382	0.3
99.00879	0.6
101.02433	0.7
103.00385	1.1
106.00595	0.2
109.02921	0.1
111.00880	13.8
112.01257	0.2
115.00323	0.5
117.03458	1.6
121.02948	8.9
123.00882	1.7
123.04498	0.1
124.01638	0.2
125.02363	0.2
127.00361	0.2
129.01935	38.1
130.02254	0.2
132.02174	0.2
133.01451	0.1
134.03737	12.1
136.01765	0.1
136.98792	0.3
137.02477	1.2
138.03210	2.1
139.00360	2.2
139.03999	1.2
145.01433	0.8
147.03000	12.1
147.04488	0.7
149.02443	8.9
149.06100	1.4
151.00470	0.2
152.01190	0.2
153.01942	0.2
153.05574	8.7
154.99861	0.3
160.01666	0.8
161.02478	0.3
163.03979	0.3
164.04799	7.7
166.02702	0.5
166.99872	0.8
167.03514	0.3
173.00912	14.6
175.04051	1.5
178.02725	0.9
179.03548	0.6
179.07126	0.9
181.01424	0.3
182.02200	3.2
189.02052	0.2
189.05457	0.2
190.02724	0.9
191.01981	9.9
191.03438	0.5
192.02406	0.2
193.05075	10.1
196.03798	0.8
197.04568	15.3
198.05095	0.1
204.04239	0.2
205.01373	0.1
205.05118	1.4
207.03017	0.7
208.03793	0.8
209.03067	2.2
211.06107	0.7
217.01442	0.6
219.06580	0.2
222.05350	1.7
223.06152	9.2
232.03802	0.2
235.02235	0.1
237.07721	1.8
239.05537	0.2
246.14560	0.2
250.04884	0.6
261.07758	0.9
265.07220	5.1
291.08771	0.7
309.06281	0.6
323.07748	0.7
327.07266	12.2
328.07477	0.3
353.05066	0.5
353.08859	1.2
367.06738	8.8
371.06226	10.5
372.06784	0.2
372.11551	0.2
385.07822	2.3
389.07327	6.5
390.08115	0.2
397.07788	8.3
398.09241	0.2
415.09006	2.7
485.91788	0.2
565.12085	4.7
595.13177	4.8
880.02209	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	1167.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	8.2
83.01390	10.7
84.02163	2.6
85.02950	97.8
87.00898	0.9
89.02464	2.4
89.03967	1.2
91.01878	1.5
94.02968	13.0
95.01397	1.1
96.04550	1.0
99.00864	4.1
99.04510	15.8
101.02452	3.3
107.17696	0.6
108.02194	5.4
109.02958	0.8
110.06117	3.8
111.00146	1.3
111.00877	26.4
111.01644	0.9
113.02393	2.2
117.03464	6.3
120.08189	6.7
121.02923	2.3
122.06123	6.8
123.00894	3.2
123.04512	17.7
124.01640	1.6
125.02422	3.2
127.03059	1.5
127.04004	44.8
129.01933	29.3
130.08705	1.3
131.03539	0.6
134.03737	65.2
136.01627	0.6
137.02451	2.8
138.05594	10.5
139.04041	0.9
144.04584	0.8
147.02985	6.0
147.04614	0.7
149.04927	1.0
149.06096	10.0
151.04036	1.2
152.01154	9.2
153.05638	0.7
154.99884	1.3
160.01653	2.8
161.04771	1.1
163.04036	1.1
164.04771	1.5
166.02718	3.2
167.03502	41.8
168.03914	0.6
171.02992	14.3
173.00888	1.5
174.03308	1.3
174.05608	1.5
175.04015	6.7
178.02750	10.2
189.04155	0.8
189.05621	0.9
191.01939	0.8
192.04305	4.3
193.05075	100.0
194.05339	1.1
197.04594	3.0
203.05954	1.2
207.03043	2.4
207.06647	7.9
215.02049	5.2
215.11955	2.4
218.05780	0.6
220.03841	1.1
223.08882	0.8
233.03027	3.5
235.06151	18.0
236.09529	2.6
237.10338	3.0
249.13985	0.9
250.07443	0.8
250.11053	1.2
251.08118	0.8
251.11897	18.8
252.04417	1.0
252.12613	1.2
253.05103	10.0
254.05365	2.8
261.07758	5.0
263.08255	1.1
263.11996	0.8
264.09088	2.4
265.13437	3.7
266.10568	2.7
269.04623	0.7
276.09122	1.1
277.09811	8.7
278.10648	3.5
279.05154	5.5
279.11273	2.5
281.09534	0.9
282.10046	2.3
283.10815	2.6
284.11890	0.8
291.11459	10.2
292.12238	11.7
293.12955	9.5
295.10858	1.3
296.11453	0.8
297.06223	3.3
323.04147	3.7
324.11258	4.8
329.14014	2.3
335.10449	4.6
336.11206	4.2
337.11942	4.0
339.07294	6.7
341.05222	4.3
344.13953	0.8
344.17865	1.3
346.15674	1.2
358.15433	1.0
359.15601	0.9
360.17218	6.4
361.17938	0.7
362.18906	0.9
365.08850	6.5
367.06989	0.7
372.17172	8.6
374.14819	0.8
374.18896	4.0
377.17780	0.8
383.06271	4.5
388.16663	2.8
390.18198	3.2
401.07266	3.5
402.18417	3.4
406.17679	2.8
409.07745	9.3
414.18427	6.2
415.18738	1.0
418.17780	13.1
427.08871	2.5
432.19348	2.9
436.19107	2.9
446.16754	1.0
457.11194	0.9
459.17859	2.7
469.22308	1.1
476.18436	6.6
477.19232	5.4
478.19965	1.0
508.20969	7.8
511.23486	1.4
517.09924	4.2
529.24725	1.5
545.26257	4.1
547.25610	0.9
573.23987	2.4
577.11963	2.7
605.26208	26.1
606.26563	0.9
615.24542	3.4
633.25800	6.2
647.27283	17.3
648.28210	0.9
665.28448	78.0
666.28687	4.2
1106.53894	2.5
1107.54736	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	1167.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	8.2
83.01390	10.7
84.02163	2.6
85.02950	97.8
87.00898	0.9
89.02464	2.4
89.03967	1.2
91.01878	1.5
94.02968	13.0
95.01397	1.1
96.04550	1.0
99.00864	4.1
99.04510	15.8
101.02452	3.3
107.17696	0.6
108.02194	5.4
109.02958	0.8
110.06117	3.8
111.00146	1.3
111.00877	26.4
111.01644	0.9
113.02393	2.2
117.03464	6.3
120.08189	6.7
121.02923	2.3
122.06123	6.8
123.00894	3.2
123.04512	17.7
124.01640	1.6
125.02422	3.2
127.03059	1.5
127.04004	44.8
129.01933	29.3
130.08705	1.3
131.03539	0.6
134.03737	65.2
136.01627	0.6
137.02451	2.8
138.05594	10.5
139.04041	0.9
144.04584	0.8
147.02985	6.0
147.04614	0.7
149.04927	1.0
149.06096	10.0
151.04036	1.2
152.01154	9.2
153.05638	0.7
154.99884	1.3
160.01653	2.8
161.04771	1.1
163.04036	1.1
164.04771	1.5
166.02718	3.2
167.03502	41.8
168.03914	0.6
171.02992	14.3
173.00888	1.5
174.03308	1.3
174.05608	1.5
175.04015	6.7
178.02750	10.2
189.04155	0.8
189.05621	0.9
191.01939	0.8
192.04305	4.3
193.05075	100.0
194.05339	1.1
197.04594	3.0
203.05954	1.2
207.03043	2.4
207.06647	7.9
215.02049	5.2
215.11955	2.4
218.05780	0.6
220.03841	1.1
223.08882	0.8
233.03027	3.5
235.06151	18.0
236.09529	2.6
237.10338	3.0
249.13985	0.9
250.07443	0.8
250.11053	1.2
251.08118	0.8
251.11897	18.8
252.04417	1.0
252.12613	1.2
253.05103	10.0
254.05365	2.8
261.07758	5.0
263.08255	1.1
263.11996	0.8
264.09088	2.4
265.13437	3.7
266.10568	2.7
269.04623	0.7
276.09122	1.1
277.09811	8.7
278.10648	3.5
279.05154	5.5
279.11273	2.5
281.09534	0.9
282.10046	2.3
283.10815	2.6
284.11890	0.8
291.11459	10.2
292.12238	11.7
293.12955	9.5
295.10858	1.3
296.11453	0.8
297.06223	3.3
323.04147	3.7
324.11258	4.8
329.14014	2.3
335.10449	4.6
336.11206	4.2
337.11942	4.0
339.07294	6.7
341.05222	4.3
344.13953	0.8
344.17865	1.3
346.15674	1.2
358.15433	1.0
359.15601	0.9
360.17218	6.4
361.17938	0.7
362.18906	0.9
365.08850	6.5
367.06989	0.7
372.17172	8.6
374.14819	0.8
374.18896	4.0
377.17780	0.8
383.06271	4.5
388.16663	2.8
390.18198	3.2
401.07266	3.5
402.18417	3.4
406.17679	2.8
409.07745	9.3
414.18427	6.2
415.18738	1.0
418.17780	13.1
427.08871	2.5
432.19348	2.9
436.19107	2.9
446.16754	1.0
457.11194	0.9
459.17859	2.7
469.22308	1.1
476.18436	6.6
477.19232	5.4
478.19965	1.0
508.20969	7.8
511.23486	1.4
517.09924	4.2
529.24725	1.5
545.26257	4.1
547.25610	0.9
573.23987	2.4
577.11963	2.7
605.26208	26.1
606.26563	0.9
615.24542	3.4
633.25800	6.2
647.27283	17.3
648.28210	0.9
665.28448	78.0
666.28687	4.2
1106.53894	2.5
1107.54736	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	1169.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03445	11.9
83.01380	13.8
83.05016	0.4
84.02158	2.2
85.02940	53.2
86.03255	0.2
89.00310	2.3
91.01860	1.3
93.03443	0.9
95.01383	1.9
97.02930	1.0
99.00861	0.9
99.04501	19.4
101.02438	0.4
106.00595	3.0
109.02950	1.0
110.00108	0.2
111.00867	34.2
117.03553	0.2
119.04993	0.3
121.02937	44.5
122.03251	0.3
123.00859	9.5
125.02429	0.9
125.99615	0.2
127.00348	2.0
127.03995	27.5
129.01923	29.8
130.02330	0.3
130.93759	0.2
131.41342	0.2
132.02180	0.3
135.04482	0.8
136.98785	0.9
137.02434	1.6
138.02159	0.4
138.03209	9.1
138.04260	0.4
139.00365	4.7
139.04005	0.4
143.03534	0.2
147.03001	2.4
147.04485	2.1
149.02429	23.2
152.01141	1.2
152.33694	0.2
153.01912	1.1
153.05562	36.6
154.02687	0.5
154.05887	0.4
154.99846	1.6
155.03508	0.2
163.03992	1.5
164.04778	16.8
165.01855	0.4
166.02637	0.3
166.99831	8.2
169.05013	0.9
171.02982	17.5
173.00908	1.0
175.00319	0.7
179.03461	0.9
179.07135	3.6
180.04378	0.3
181.01448	1.0
181.05046	0.4
182.02191	24.5
183.02579	0.3
187.04015	0.2
189.02026	0.7
189.04041	1.6
190.02698	3.5
191.01895	0.4
191.03525	0.4
193.01398	3.9
193.05095	0.2
196.03761	2.5
197.04547	100.0
198.04852	2.0
202.50685	0.2
204.04356	0.3
205.05051	4.8
206.05629	0.3
207.03029	0.8
207.10220	0.4
208.03778	8.6
215.01988	7.2
215.04033	0.4
217.01411	0.4
219.06642	0.5
221.08223	0.4
222.05344	3.5
223.06111	42.4
224.06516	0.8
232.03842	0.4
233.02890	2.4
235.09695	0.2
237.07664	4.1
239.03575	0.2
240.04245	1.1
247.09656	0.3
250.04810	1.0
263.09177	0.4
265.07153	16.8
266.07446	0.3
268.03799	3.5
283.06076	3.4
291.05530	0.4
291.08679	3.2
309.06189	5.3
327.07190	1.9
335.07883	0.3
353.05118	4.5
353.08990	0.4
369.08237	4.8
371.06122	2.5
387.16562	2.4
395.09897	2.0
397.07690	1.1
413.07233	5.3
414.07745	0.3
429.17593	0.9
431.08359	2.9
439.08862	2.7
457.09729	1.7
462.46716	0.2
469.20587	0.3
531.20868	3.3
577.11920	1.2
637.13715	1.4
638.73834	0.2
816.06689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1169.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03453	9.9
81.03931	0.4
83.01386	11.5
83.05035	0.3
84.02161	3.1
85.02946	87.3
86.03271	0.8
87.00865	0.8
89.00341	0.8
90.74860	0.2
91.01884	0.8
91.05515	0.2
92.12469	0.5
93.03450	1.0
95.01360	0.9
97.02968	0.9
99.00887	0.8
99.04509	15.3
101.02429	0.5
106.00600	0.9
109.02943	1.4
110.00071	0.4
111.00874	26.7
112.01161	0.2
112.98763	0.3
117.03429	0.8
119.04980	0.7
121.02943	28.5
123.00884	5.2
124.01625	0.3
125.02433	1.2
125.99574	0.4
127.00361	1.3
127.04001	44.6
128.04323	0.3
129.01929	26.9
132.02179	1.5
133.02946	0.3
134.03699	2.0
135.04517	1.5
136.98795	1.4
137.02449	3.4
137.99535	0.9
138.03220	6.6
139.00377	7.2
139.04013	0.9
141.01938	0.3
142.59314	0.2
146.58701	0.2
147.03008	5.5
147.04514	4.7
149.02438	58.1
150.02789	1.1
151.04002	0.3
152.01157	2.3
153.01953	1.1
153.05568	18.6
154.02699	1.0
154.99837	1.7
155.03500	0.4
161.02452	0.4
162.03233	0.3
163.03995	2.9
164.04790	47.3
165.01924	0.8
165.05167	1.2
166.02701	1.0
166.99840	3.0
167.03517	0.9
169.05060	1.1
171.02983	14.8
173.00900	1.7
173.02274	0.2
175.00371	0.8
177.01958	0.8
177.05528	0.3
178.02724	0.8
179.03517	1.7
179.07127	6.3
181.01419	0.9
181.05045	0.8
182.02213	9.1
183.02562	0.2
189.01979	1.3
189.04018	1.6
189.05536	0.2
190.02707	3.7
191.01935	0.4
191.03494	1.2
193.01442	6.4
193.05049	3.9
194.05801	0.2
196.03783	3.4
197.04559	42.4
198.04880	0.4
204.04298	0.5
205.01254	0.3
205.05074	5.3
206.05800	0.5
207.03015	1.8
208.03781	16.0
215.01964	4.6
217.01483	1.1
219.06676	0.5
221.08110	0.3
222.05350	4.9
223.06131	100.0
224.04527	0.3
224.06436	2.1
232.03745	0.9
233.02913	3.4
233.38524	0.2
237.07680	5.8
247.09734	0.4
250.04793	1.3
263.09140	0.4
265.07181	19.7
266.07535	0.2
283.05865	0.3
291.05460	0.5
291.08719	4.2
307.08493	0.3
309.06195	4.1
327.07266	4.2
335.07986	0.4
353.05142	2.3
369.08310	6.2
371.06403	2.3
379.06494	0.4
395.09860	3.9
397.07761	1.3
401.45081	0.2
413.07281	2.2
431.08411	2.7
439.08820	4.7
457.10004	1.8
480.16281	0.2
577.12030	1.2
617.19763	0.2
637.14941	0.7
780.22540	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0193
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01893	0.3
55.89166	0.2
59.01388	0.2
60.87778	0.2
72.00921	0.4
73.02955	100.0
74.02484	0.5
74.03289	1.3
85.86650	0.2
99.00885	9.6
99.92570	1.1
108.28934	0.2
111.00251	0.2
116.92850	3.6
117.01938	21.2
117.07513	1.6
117.92818	0.2
118.02266	0.4
118.05087	0.4
137.70457	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17843	0.3
53.94224	0.2
55.01888	0.3
59.01387	26.2
59.27411	0.3
59.62446	0.2
60.01741	0.3
60.31958	0.3
63.28275	0.3
68.69304	0.2
71.05021	25.9
72.05351	0.4
72.39149	0.4
73.02945	75.6
74.02467	1.4
74.03288	1.4
75.83554	0.3
87.91309	0.3
92.12406	0.4
99.00879	5.0
99.04509	1.7
99.92578	32.4
100.92585	3.1
115.03965	0.6
116.92855	100.0
117.01929	14.4
117.05572	26.4
117.07439	2.6
117.92865	14.4
118.05099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1171.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	22.5
83.01388	23.3
83.05022	0.5
84.01712	0.3
84.02163	3.7
85.02950	97.0
86.03283	0.5
87.00849	0.5
89.00330	3.2
89.03972	0.5
91.01891	6.5
93.03439	0.5
95.01370	2.9
97.02944	1.4
99.00886	1.9
99.04516	31.6
101.02438	1.4
106.00616	2.3
108.02177	10.3
109.02978	2.6
111.00879	65.3
112.01232	0.4
117.03453	3.5
119.05009	0.3
121.02948	46.1
122.03267	0.5
123.00871	11.2
123.04514	25.8
124.01662	1.6
124.04852	0.4
125.02396	2.0
125.99548	0.4
127.00368	2.4
127.04007	47.4
129.01936	52.5
132.02184	0.4
133.02980	0.5
134.03734	36.7
135.04555	0.4
136.01685	0.4
136.98816	1.9
137.02444	3.6
137.99593	0.5
138.03227	9.9
139.00383	6.4
139.04050	1.7
141.01981	0.3
143.03554	0.3
145.02960	0.3
147.03012	6.0
147.04524	1.2
149.02451	17.2
149.06084	6.1
151.00381	0.3
151.04025	0.5
152.01151	18.0
153.02046	1.8
153.05577	40.3
154.05879	1.0
154.99869	2.9
160.01674	3.3
162.03220	0.5
163.04019	1.9
164.04813	13.2
165.01974	0.5
165.05431	0.3
166.02740	1.9
166.99864	7.9
167.03493	73.9
168.03836	1.0
169.05098	0.3
171.02995	30.4
172.03206	0.3
173.00897	2.5
173.02295	0.6
173.06158	0.3
174.03296	0.5
175.00369	0.5
175.04004	6.0
178.02713	7.6
179.03491	1.4
179.07092	2.9
181.01393	1.0
181.05006	0.9
182.02216	25.6
189.02069	0.4
189.04077	2.1
189.05556	0.7
190.02699	2.5
191.02000	1.5
191.03491	0.8
192.04318	2.4
193.01445	3.0
193.05064	53.2
194.05545	1.1
196.03748	1.9
197.00977	2.5
197.04567	100.0
198.04890	1.7
202.06474	0.3
204.04257	0.5
205.01515	0.3
205.05063	3.7
206.05832	0.5
206.57050	0.3
207.03046	1.9
207.06625	3.5
208.03801	6.8
215.02002	12.2
217.01361	0.4
217.08678	1.0
218.05757	0.3
219.06615	0.5
220.03831	0.5
221.08240	0.4
222.05373	4.5
223.06133	32.2
224.06543	0.5
232.03876	0.4
233.02994	4.0
233.08171	0.5
235.06116	9.0
237.04082	0.4
237.07715	5.5
247.09738	0.4
250.04834	1.3
253.05083	2.9
254.05376	0.3
261.03815	0.3
261.05099	0.3
261.07675	3.9
263.05545	0.3
265.07199	16.0
279.05081	2.8
291.05325	0.9
291.08722	2.3
297.06012	1.7
309.06183	6.0
323.04230	3.8
327.07236	2.5
339.07224	3.9
341.05200	2.7
349.05569	0.3
353.05276	4.9
353.09229	0.4
365.08701	2.9
367.06754	1.3
369.08310	4.9
371.06201	2.8
373.69711	0.3
383.06198	5.1
389.18399	3.3
395.09784	1.2
397.08035	1.2
401.07318	1.9
409.07794	3.2
413.07318	6.7
427.08780	2.2
431.08429	3.2
431.19397	2.0
439.08698	1.6
457.09628	1.7
471.21793	0.4
503.11841	0.6
533.22339	5.7
547.10938	3.6
607.13245	4.3
628.82745	0.3
746.82257	0.3
754.84064	0.3
1025.41907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1171.372
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03479	0.2
83.01391	5.8
84.02170	2.5
85.02953	100.0
86.03296	1.1
87.00873	1.0
89.00374	0.4
89.02451	0.2
89.03956	0.3
89.89063	0.2
95.01379	0.4
95.21687	0.2
99.00896	0.4
101.02450	1.6
101.57122	0.2
103.00357	1.0
108.02156	0.5
111.00890	13.2
111.01660	0.4
113.02454	0.5
117.03470	1.6
121.02959	8.7
123.00876	1.5
123.04524	1.2
124.01611	0.3
125.02437	0.9
127.00363	0.3
127.04016	0.3
129.01941	46.9
130.02254	0.5
134.03737	21.8
135.04523	0.3
136.98824	0.3
137.02408	1.3
137.82170	0.2
138.03242	2.0
139.00360	1.6
139.04022	0.9
145.01424	0.4
147.03012	12.0
149.02467	1.0
149.06093	3.2
152.01221	0.3
153.05582	8.2
154.02724	0.2
154.99863	0.4
158.03740	0.9
159.04431	0.4
160.01653	2.3
163.11342	0.3
164.04790	0.9
166.99858	1.4
167.03479	2.9
173.00916	13.4
173.06114	0.4
174.03270	0.2
175.04008	4.1
176.04745	0.3
178.02737	2.1
181.01405	0.2
182.02216	4.1
189.12848	0.5
191.01993	8.4
191.03687	0.5
193.05064	20.7
194.05646	0.2
196.03773	0.4
197.04565	18.1
205.05058	0.3
207.03090	0.4
207.06648	0.3
207.13759	0.3
209.03111	2.1
222.05298	1.7
223.06168	1.6
227.03596	2.1
229.04980	0.3
233.03069	0.4
233.08333	0.3
235.06088	0.3
237.07671	1.5
250.04799	0.3
255.03029	3.1
261.07797	1.7
265.07199	5.1
281.13312	0.2
284.03268	4.7
285.03995	1.4
297.06284	0.8
309.06250	0.9
311.09280	0.2
323.07697	2.3
327.07272	9.7
341.05219	1.3
353.05273	0.7
359.06296	1.2
367.06744	16.9
368.07257	0.3
371.06235	14.0
371.11035	0.4
372.06091	0.2
385.07721	4.3
389.07312	5.5
397.08502	1.7
415.09167	0.3
501.23730	0.3
519.24329	1.6
561.25220	0.5
565.12036	18.6
566.12054	0.8
662.16071	0.3
755.20557	5.0
778.77454	0.2
894.94574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03451	2.4
83.01381	5.1
84.02168	2.3
85.02942	100.0
86.03270	0.7
87.00853	1.1
89.00330	0.7
89.93032	0.2
91.01862	1.2
95.01360	0.3
99.00873	0.2
99.04504	4.3
101.02404	0.9
103.00376	0.6
105.70764	0.2
106.00582	0.3
108.02163	2.0
109.02965	0.7
111.00871	15.1
115.00346	0.3
117.03461	0.8
121.02936	8.3
122.03282	0.2
123.00887	1.9
123.04507	5.8
124.01623	0.4
125.02425	1.0
127.03992	3.6
129.01924	38.6
131.85741	0.2
133.01413	0.2
134.03726	12.3
135.04436	0.2
136.01660	0.2
137.02374	0.2
138.03168	1.3
139.00349	0.3
139.04039	0.2
141.01807	0.2
145.01430	0.3
147.02991	13.8
149.02449	3.3
149.06110	1.3
152.01129	2.8
153.05562	5.6
153.10918	0.2
154.05988	0.2
154.99866	0.4
160.01675	1.5
163.04088	0.4
164.04779	2.6
166.99840	1.5
167.03473	14.9
171.02957	2.3
173.00893	11.1
174.03210	0.2
175.04002	2.3
176.04794	0.2
178.02722	0.4
179.03444	0.2
179.07123	0.3
181.05063	0.2
182.02196	3.8
189.05556	0.4
190.02734	0.8
191.01968	21.9
192.04286	1.1
193.01421	0.4
193.05042	11.1
196.03661	0.2
197.04543	15.3
198.04849	0.6
199.05022	0.2
205.05099	0.4
207.03017	0.2
207.06630	1.6
208.03748	1.1
209.03020	7.5
215.01895	0.7
220.03792	0.2
222.05281	0.3
223.06142	6.1
224.06361	0.2
233.02780	0.2
235.06113	4.2
237.07512	0.6
261.07629	0.9
265.07159	2.2
269.04578	0.2
279.05103	0.8
291.08740	0.4
297.06146	7.4
309.06155	0.7
323.04257	0.4
323.07703	1.7
327.07129	0.2
335.07755	0.2
341.05145	12.0
353.05215	0.5
359.06226	18.6
360.06415	0.2
367.06714	7.4
369.08151	0.7
371.06342	0.4
385.07782	4.6
395.09866	0.3
413.07132	0.8
431.08319	0.3
499.28488	0.2
535.11047	5.3
643.86163	0.2
820.38470	0.2
926.63983	0.2
1018.75549	0.2
1055.43628	0.2
1115.93567	0.2
1144.31299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	3.2
83.01389	7.0
83.05060	0.1
84.02162	2.6
85.02949	100.0
86.03276	1.3
87.00887	0.6
89.00335	0.7
89.03967	0.7
90.80830	0.1
91.01899	0.9
93.03451	0.6
95.01399	0.2
97.02945	0.6
99.00876	0.5
99.04514	5.5
101.02402	1.2
103.00362	0.5
106.00610	0.8
108.02166	1.4
109.02964	1.0
111.00879	19.0
112.01182	0.5
115.00382	0.2
117.03457	1.7
121.02951	11.3
123.00892	2.6
123.04504	4.0
124.01663	0.9
125.02436	2.9
127.00370	0.7
127.03049	0.3
127.04011	11.1
129.01935	38.2
130.02269	0.7
132.02187	0.7
134.03732	21.2
135.04454	0.7
136.01694	0.2
136.98804	0.8
137.02448	2.5
137.99593	0.3
138.03224	3.7
139.00366	4.8
139.04001	0.9
145.01457	0.3
147.03000	9.4
147.04491	0.6
148.03403	0.2
149.02444	8.8
149.06081	2.8
151.00362	0.7
151.04022	0.2
152.01149	2.2
153.01941	0.9
153.05574	10.8
154.02702	0.2
154.05927	0.2
154.99858	0.8
155.03479	0.3
160.01654	4.1
160.32922	0.2
161.02409	0.8
162.03200	0.3
163.04024	0.9
164.04802	7.5
165.01949	0.9
166.02708	0.9
166.99823	1.6
167.02394	0.1
167.03491	7.8
171.02988	5.0
173.00914	8.7
174.03215	0.2
175.00426	0.2
175.03999	6.8
176.04620	0.3
177.01997	0.2
177.05550	0.3
178.02742	2.4
178.99875	0.2
179.03484	0.9
179.07091	1.1
181.01424	0.7
181.05064	0.7
182.02190	4.4
189.02005	0.3
189.04047	0.6
190.02705	0.8
191.01984	6.3
191.03514	0.5
192.02460	0.3
192.04312	0.9
193.01506	1.1
193.05066	22.8
194.05522	0.9
196.03755	1.9
197.04564	24.2
198.04941	0.3
202.06358	0.3
204.04329	0.3
205.05064	1.5
206.05792	0.3
207.03056	1.4
207.06670	0.9
208.03783	2.4
209.03023	1.6
215.02013	2.6
217.01459	0.6
217.05084	0.2
218.05913	0.7
219.06604	0.3
220.03723	0.2
221.04626	0.2
221.08177	0.2
222.05367	3.0
223.06146	16.3
232.03801	0.3
233.02930	1.5
233.08162	0.5
235.02615	0.2
235.06155	2.2
237.07716	3.5
250.04918	1.1
259.06094	1.3
261.07675	3.0
265.07202	11.7
266.07468	0.3
269.04651	1.1
287.05554	0.7
291.08707	1.1
297.06186	3.2
309.06219	3.0
323.04413	0.2
323.07687	1.7
325.75583	0.1
327.07251	4.1
341.05179	4.6
353.05258	0.9
359.06284	2.3
365.08655	0.3
367.06787	7.7
368.06989	0.6
369.08395	2.0
371.06223	4.7
371.10889	0.2
372.06613	0.3
385.07776	2.7
389.07303	1.6
395.09763	0.7
397.08020	0.3
409.07782	0.9
413.07321	1.6
427.08847	0.2
431.08395	1.3
439.08820	0.8
457.09988	0.5
491.12009	1.5
535.11011	3.2
547.11102	0.6
565.11987	2.7
566.12415	0.7
567.12653	0.3
577.11926	0.7
791.68793	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.57
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03387	0.1
83.01376	1.5
84.02162	0.2
85.02944	11.4
86.00070	0.9
87.00868	4.8
87.04494	1.4
87.34483	0.1
89.02430	4.8
92.11678	0.5
95.01384	2.6
97.02951	0.3
99.00873	8.2
99.04498	0.5
99.92585	0.3
101.02429	8.1
102.45599	0.1
103.04000	1.9
106.81707	0.1
111.00877	1.0
112.01666	0.8
113.02441	9.4
115.00349	0.2
115.03983	2.1
116.38488	0.1
116.92837	1.2
117.46343	0.1
117.92893	0.3
119.03500	1.6
125.02402	0.5
127.03982	0.2
129.01927	4.2
131.03488	3.7
139.00348	1.1
141.15219	0.1
143.03499	4.9
145.05038	1.0
157.01421	0.9
161.04550	1.1
163.06131	1.5
205.07195	3.7
228.32507	0.1
247.08299	0.2
301.02051	0.1
332.48328	0.1
413.28726	0.1
432.51474	0.2
549.35510	0.1
569.38495	0.3
727.41174	0.2
773.88672	0.2
1053.52808	13.8
1054.53040	1.4
1083.55127	0.2
1085.55688	0.2
1095.54175	1.2
1113.54846	100.0
1114.54919	11.0
1155.46594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.6205
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96955	10.2
100.51746	0.3
134.98509	0.3
150.97957	0.5
152.63196	0.3
152.99590	50.0
171.00587	0.4
223.00150	2.1
240.98659	0.7
241.01201	30.6
255.23311	77.1
256.23688	1.7
259.02280	0.4
278.86707	0.3
315.04935	7.9
333.05710	0.4
384.18204	0.3
391.22610	2.2
552.19708	0.3
571.28949	100.0
572.29193	3.8
602.10907	0.3
664.27753	0.3
824.83575	0.3
1057.45471	0.4
1077.20374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.273
Annotation	Unknow
Peak:m/z	Relative Intensity
83.00629	0.8
83.01389	5.2
84.02186	1.6
85.02950	100.0
86.03293	0.9
87.00880	1.0
99.04500	1.2
101.02447	1.1
102.42544	0.9
111.00886	17.1
121.02953	9.1
123.00848	1.2
123.04520	3.9
127.04002	4.0
129.01945	25.5
134.03734	10.1
135.04449	1.0
138.03183	1.2
147.03008	14.3
149.02393	0.8
149.06152	1.3
152.01068	1.1
153.05579	8.8
160.01694	2.1
163.04037	3.4
164.04803	1.4
167.03520	6.1
171.02995	1.1
173.00874	9.1
175.04034	2.1
178.02731	1.0
182.02321	1.7
191.01979	5.9
192.04134	0.9
193.05075	12.6
194.05481	1.1
197.04573	18.1
207.03201	1.4
207.06700	1.1
215.02142	1.1
223.06059	3.3
235.06267	1.6
246.64265	0.9
253.04962	9.8
254.05476	1.5
261.07730	1.2
265.07199	3.6
269.04593	1.0
279.05176	0.9
301.95416	0.9
323.07730	1.7
327.07275	10.3
341.05145	1.8
358.10892	0.9
365.82755	0.8
367.06833	6.0
371.06287	15.3
385.07684	1.0
385.15988	1.0
389.07129	1.6
397.07852	3.9
466.19507	0.8
473.10626	1.3
565.12299	4.5
1012.05084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.6353
Annotation	Unknow
Peak:m/z	Relative Intensity
84.34138	0.2
85.02935	0.2
90.84386	0.2
96.96951	8.6
105.07943	0.2
108.42761	0.2
110.26505	0.2
134.98518	0.3
150.98056	0.7
152.99586	54.0
153.99957	0.2
162.23665	0.2
171.00684	0.7
223.00180	2.4
241.01201	30.1
242.01668	0.2
255.23311	76.3
256.23621	2.1
259.02246	0.7
315.04892	9.7
391.22488	2.5
492.13715	0.2
497.27890	0.2
510.84277	0.2
571.28955	100.0
572.29242	3.0
795.40607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1176.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01363	2.3
85.02949	12.9
86.00089	0.8
86.03291	0.6
86.16688	0.4
87.00866	6.2
87.04488	0.7
89.02435	5.5
92.12296	0.8
95.01367	4.3
98.64394	0.5
99.00867	9.7
100.01244	0.7
101.02436	10.5
103.03998	2.0
111.00865	1.0
112.01632	0.6
113.02441	11.7
115.04003	2.6
119.03483	2.0
125.02438	0.5
129.01932	4.8
131.03491	5.3
139.00352	0.7
139.83214	0.4
143.03510	5.7
145.05067	0.6
157.01373	0.8
161.04538	1.0
163.06125	2.4
205.07153	4.3
206.07555	0.5
228.30983	0.6
371.14014	0.4
505.65985	0.5
667.08276	0.5
667.33594	0.5
921.48651	0.5
922.49225	0.7
1024.75793	0.6
1053.52710	13.4
1055.53113	2.6
1056.54224	4.9
1113.54858	100.0
1114.54614	8.4
1115.55457	16.0
1116.55798	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1183.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01370	0.1
85.02937	0.1
89.00311	0.1
91.01871	0.2
93.03441	0.1
94.02966	0.2
95.01414	0.1
98.74492	0.0
107.01367	0.7
107.05079	0.1
109.02921	0.3
117.03418	0.1
120.08183	0.2
121.02957	0.2
122.06155	0.1
123.00888	0.4
123.04482	0.3
125.02409	0.1
132.02126	0.4
133.02940	1.8
135.00877	0.3
135.04530	0.4
137.02444	1.3
138.05605	0.1
139.03941	0.1
143.04933	0.1
149.02518	0.1
150.99136	0.1
151.00362	3.2
151.03992	0.2
152.01144	0.2
152.04765	0.4
153.01926	0.3
153.05606	0.1
155.04974	0.1
156.05803	0.1
157.02921	0.3
159.04518	1.0
161.02361	0.2
163.00290	0.1
163.04028	0.1
164.04785	0.1
165.01918	0.2
166.02708	9.8
167.03506	0.6
169.06593	0.5
171.04500	0.1
173.02496	0.1
173.06032	0.1
175.03957	0.1
176.01074	0.1
177.01965	0.5
178.02696	0.1
179.03482	0.1
179.07037	0.0
180.05757	0.5
181.05078	12.8
181.06554	1.2
182.03824	0.1
182.05298	0.2
183.04475	0.9
184.03738	0.2
189.05473	0.1
190.06389	0.1
191.03485	0.2
192.04309	0.2
193.05075	0.1
195.03009	0.1
195.04538	0.1
196.05266	0.5
197.06087	0.8
199.03986	0.3
201.05594	1.1
203.03577	0.1
203.05692	0.1
205.05164	0.2
205.08655	0.1
207.06635	0.3
209.06096	0.2
211.04028	0.2
213.05566	0.3
220.07323	0.1
223.04022	0.2
224.04834	0.9
225.05621	0.9
227.03490	0.4
237.05623	0.1
239.03476	0.5
240.04424	0.4
241.05101	0.5
251.11981	0.1
253.05081	0.7
257.04578	0.4
267.03024	0.5
268.03793	7.4
269.04565	100.0
270.04913	2.5
271.06097	0.1
277.09894	0.1
281.04608	0.2
283.06314	0.4
291.06683	0.7
291.11301	0.2
292.12247	0.1
293.13037	0.1
297.04111	0.1
299.05762	0.1
311.05640	5.3
312.05954	0.1
335.05786	0.6
335.09354	0.1
336.11234	0.1
353.06934	0.1
356.12863	0.1
357.09729	0.1
359.11380	0.5
371.15158	0.1
387.10876	3.1
402.13205	2.0
403.13702	0.1
411.33475	0.1
413.08594	0.1
417.15591	18.1
418.16055	0.5
461.10834	0.1
473.10837	0.7
476.18610	0.1
508.21011	0.1
561.19916	0.1
605.26257	0.3
615.24615	0.1
633.25555	0.4
647.27460	0.2
665.28662	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1183.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	11.6
84.02171	3.2
85.02950	100.0
86.03297	1.2
89.03974	0.5
91.01886	2.9
95.01386	1.4
97.02925	1.3
99.00838	0.4
99.04512	12.0
101.02460	0.4
108.02180	10.5
109.02961	2.0
111.00879	27.2
113.02428	0.4
117.03462	3.6
119.05037	0.3
121.02925	0.4
123.00886	4.8
123.04518	25.3
124.01639	3.8
124.04816	0.3
125.02428	2.7
127.04008	31.3
129.01935	27.4
129.02713	0.4
132.02171	1.3
133.02934	0.5
134.03734	49.6
135.04190	0.4
136.01643	1.3
136.98816	0.4
137.02429	2.2
139.04007	0.5
146.03816	0.3
147.03000	6.9
147.04550	0.6
149.06081	8.5
150.03212	0.4
151.04022	1.2
152.01155	10.1
154.99879	1.6
160.01671	7.8
161.02458	0.3
163.04024	0.5
164.04802	1.1
166.02753	4.7
167.03494	51.4
168.03857	0.4
171.02988	11.6
173.00938	2.1
174.03291	2.0
175.03999	14.0
176.04665	1.3
178.01248	0.4
178.02734	8.1
189.04047	1.6
189.05605	1.7
191.02002	1.7
192.04288	7.0
193.05066	67.9
194.05400	1.2
197.00914	0.5
202.02759	1.4
202.06377	1.4
207.03032	0.4
207.06641	8.8
215.02025	6.2
217.08743	1.8
218.05876	1.1
220.03822	1.5
221.04590	0.3
233.03023	3.4
233.08148	0.5
235.06125	23.0
236.06572	0.4
261.04175	0.5
261.07706	7.2
263.40036	0.3
279.05121	7.2
297.06174	4.3
305.06705	0.6
323.04184	2.2
323.07382	0.4
339.07257	6.7
341.05182	4.9
343.08133	0.4
349.05554	1.1
365.08832	4.2
366.09262	0.4
367.07007	1.0
383.06287	5.4
401.07281	4.7
409.07834	10.1
427.08597	3.1
449.28317	0.4
471.25671	0.3
473.10846	1.1
483.87924	0.4
491.30078	0.4
517.09924	8.3
518.10620	0.5
561.25458	1.4
577.12073	6.9
1084.95801	0.3
1211.00757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1183.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02981	1.0
83.01369	0.2
85.02943	0.4
92.11628	0.3
92.63009	0.2
94.02972	20.7
94.06571	0.3
95.05002	0.4
96.04533	2.0
99.00857	0.2
104.94530	0.2
105.05825	0.7
107.01392	0.7
107.03754	0.2
108.04550	1.4
108.39584	0.2
110.06116	4.7
111.00866	0.2
120.08177	21.2
121.05305	0.7
122.06107	8.1
123.02300	0.2
124.04018	0.3
125.75706	0.2
133.02965	1.7
134.06107	0.9
135.04492	0.4
136.04010	0.8
136.07707	0.2
137.04817	0.9
138.05600	12.4
144.04561	2.6
146.06134	0.8
150.05632	1.2
152.07195	1.2
157.02864	0.3
159.04521	0.9
160.03990	0.4
161.04825	0.7
162.05571	2.3
163.04073	0.3
164.07153	2.7
172.04103	0.3
172.07574	0.3
173.04747	0.6
174.05605	3.1
180.05609	0.2
181.06628	0.9
183.04607	0.3
187.06430	0.2
187.08774	0.2
188.03583	1.3
188.07127	0.4
196.05217	0.2
197.06038	0.3
199.08723	0.3
200.07173	0.3
201.05618	0.9
201.10364	0.4
203.05887	4.7
204.06641	1.0
209.10782	0.3
213.10352	1.0
215.11929	2.6
217.13475	0.7
221.10820	0.2
222.07881	0.2
223.08784	2.0
223.12367	0.3
224.04849	0.4
224.09470	0.3
225.05490	0.4
225.10397	0.4
225.13940	0.8
227.11899	0.2
229.13397	0.2
234.11606	0.2
235.08643	0.2
235.12396	0.2
236.09526	2.8
237.10355	4.5
237.13960	0.2
238.11089	1.1
239.08252	0.7
239.11858	1.7
241.09700	0.3
241.13470	0.7
248.09560	0.7
249.10373	2.2
249.13982	1.0
250.07324	1.3
250.11057	1.9
251.08347	0.7
251.11902	18.5
252.12704	1.3
253.09824	1.3
253.13348	0.7
254.10764	0.3
255.11287	0.7
257.13034	0.9
259.10886	0.7
261.12494	1.4
262.07431	0.4
262.11035	0.4
263.08276	4.7
263.11890	4.4
264.09030	4.4
264.12573	1.4
264.69897	0.2
265.09824	1.9
265.13467	5.3
266.10556	1.4
266.14029	0.2
267.07776	0.3
267.11285	0.9
267.15210	0.3
268.03696	0.3
268.08508	1.1
269.04559	58.0
270.04880	1.2
275.08322	0.4
275.11884	0.3
276.09006	4.3
277.09808	21.4
278.10568	6.8
279.11340	3.4
280.08759	0.2
280.12210	0.4
281.09274	1.7
281.12790	0.7
282.10150	2.3
283.10748	2.2
284.11450	0.2
285.12500	0.9
289.13525	0.2
290.10498	0.9
291.11411	25.8
292.12180	26.4
293.09555	0.8
293.12958	19.4
294.10147	0.6
294.13660	1.7
295.10779	1.6
296.08337	0.5
296.11554	0.9
297.12460	0.3
301.11935	1.0
303.13486	1.8
306.10233	0.3
307.11044	0.2
309.12363	0.3
310.09698	0.8
311.10541	1.3
312.11111	0.6
313.11911	1.9
318.10138	0.3
319.10501	1.6
322.09653	0.4
323.10416	0.3
324.11182	5.5
325.11963	2.4
325.15652	0.7
326.12762	0.4
327.13663	0.2
330.12433	0.7
330.16110	0.3
331.13446	0.2
332.14041	1.0
335.10406	10.9
336.11179	11.6
337.11932	6.7
338.12543	0.3
343.13062	1.5
344.14078	1.0
344.17715	0.5
345.14792	0.9
346.15619	2.3
346.19217	0.3
347.16452	0.3
348.17145	0.8
356.13965	1.1
358.15497	0.9
358.19342	0.3
359.16513	0.8
360.13303	0.6
360.17236	4.1
361.14099	0.3
361.18237	0.4
362.14807	0.3
362.18814	0.7
368.10309	0.3
369.14774	0.3
370.19537	0.4
372.13336	0.9
372.17303	6.2
373.18036	0.4
374.14685	1.8
374.19119	2.1
384.13321	0.4
386.14615	1.2
386.18921	0.8
387.15894	0.3
388.16431	2.9
388.20279	0.5
389.17401	1.5
390.18344	2.1
391.18958	0.4
398.15140	0.7
399.15726	0.7
400.16785	1.6
402.18393	3.4
403.18942	1.0
404.15915	0.8
406.17624	2.4
412.16678	0.4
413.17523	0.6
414.18298	8.7
415.18857	2.5
416.15860	0.4
417.16852	0.2
418.17773	6.5
419.18378	0.2
421.16595	0.7
429.17041	0.3
430.17642	0.4
431.18655	0.4
432.19461	6.4
433.20105	0.9
434.16690	0.3
436.18979	1.7
440.16116	0.7
441.16791	1.2
444.15445	0.3
446.16559	1.7
447.18027	1.6
448.18893	0.2
450.20718	0.3
457.22525	0.7
458.17166	4.5
459.18054	8.0
462.16666	0.2
464.21362	0.2
467.24957	0.3
469.22552	1.4
476.18329	11.9
477.19055	10.3
478.19473	1.2
490.19928	2.4
496.20508	0.3
499.23404	0.8
508.20895	25.7
509.21164	1.1
511.23584	2.4
529.24493	2.5
532.23883	0.2
537.21460	0.3
543.22400	0.4
553.24750	1.0
555.22449	2.3
571.25702	1.2
573.23657	6.9
574.23969	0.3
575.25372	0.3
585.23309	0.3
587.25165	2.1
589.27020	0.6
597.23474	2.2
603.24756	0.4
605.26227	39.4
606.26154	1.4
615.24628	9.4
617.26312	0.4
629.26129	2.1
633.25714	27.6
634.26031	0.7
635.27191	1.0
647.27313	24.6
648.27435	1.2
665.28363	100.0
666.28680	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	1185.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	24.1
84.02168	4.2
85.02950	100.0
86.03282	0.4
87.00875	0.5
89.00320	2.8
89.03952	1.6
91.01890	7.6
93.03417	0.4
95.01384	1.7
96.20802	0.2
97.02969	1.7
99.00871	2.1
99.04514	34.1
101.02438	0.6
106.00617	2.3
106.04206	0.4
108.02177	14.6
109.02984	2.1
110.00114	0.2
111.00878	65.2
112.01183	0.3
112.98788	0.4
113.02471	0.2
117.03454	3.7
121.02946	36.5
123.00883	9.6
123.04517	35.4
124.01691	1.9
125.02455	2.4
125.99555	0.3
127.00372	1.8
127.04007	49.2
128.04349	0.5
129.01936	54.9
130.02249	0.5
132.02150	1.3
133.03014	0.4
134.03735	59.4
135.03995	0.3
136.01636	0.4
136.98787	2.2
137.02449	4.7
138.03230	6.7
139.00374	4.3
139.04012	1.7
143.03470	0.3
147.01932	0.4
147.03011	6.3
147.04318	0.4
149.02472	0.4
149.06097	9.5
150.03224	1.0
151.03992	0.5
152.01163	23.7
153.01930	1.4
153.05579	32.2
154.02762	0.9
154.99858	3.0
155.03493	0.3
160.01680	6.5
161.02515	0.3
163.04053	1.2
164.04779	0.6
166.02727	2.4
166.99857	6.8
167.03500	95.6
168.03867	1.0
171.02995	28.3
173.00967	2.4
174.03185	0.5
175.04007	9.5
176.04659	0.4
177.05550	0.3
178.02722	13.4
179.03386	0.5
182.02219	22.1
183.02435	0.3
189.02040	0.4
189.04036	2.5
189.05577	0.6
191.01959	0.6
191.03534	0.5
191.07079	0.3
192.04314	3.2
193.05075	80.0
194.05478	1.5
196.03752	2.3
197.00987	2.3
197.04575	81.2
198.04869	1.2
202.02711	0.4
202.06447	0.4
207.03078	0.5
207.06651	4.7
208.03806	0.3
214.49554	0.3
215.02016	11.5
217.01469	0.4
217.08725	1.3
218.05940	0.3
219.06723	0.3
220.03722	0.6
221.08238	0.4
222.05353	2.6
223.06108	0.4
233.02963	3.5
233.08090	1.0
235.06143	12.6
237.07712	3.8
250.04710	1.0
261.04318	0.4
261.07663	6.3
265.07199	11.9
279.05084	4.3
282.17719	0.3
287.05667	0.4
291.05185	0.3
297.06152	2.1
305.06583	1.2
307.08267	0.3
309.06223	3.4
315.08783	0.4
323.04156	4.7
323.07736	0.4
327.07126	2.4
339.07248	3.9
341.05219	2.7
349.05792	0.4
353.05157	3.3
365.08789	4.1
367.06970	2.2
369.08307	3.6
371.06476	1.7
376.69348	0.3
383.06311	5.8
401.07187	2.3
409.07922	3.9
413.07266	4.1
427.08890	3.6
428.08676	0.3
431.08115	2.5
517.09845	1.2
533.18567	1.3
547.11066	1.5
577.11993	1.6
607.12781	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	1185.257
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	15.9
83.05039	0.5
84.02175	4.3
85.02958	100.0
87.00868	0.3
89.00363	0.5
89.03985	1.7
91.01892	6.6
95.01384	0.6
97.02968	1.5
99.00871	0.6
99.04521	23.6
101.02445	0.7
106.00627	0.4
107.05024	0.4
108.02181	11.6
109.02950	2.5
111.00886	40.1
113.02493	0.4
117.03459	5.2
121.02956	9.7
123.00884	4.4
123.04518	26.0
124.01647	2.0
125.02419	1.8
127.00379	0.7
127.04008	46.8
128.04396	0.6
129.01938	35.6
132.02151	0.7
133.02924	0.7
134.03737	71.4
136.98793	0.5
137.02460	4.3
138.03221	4.1
139.00386	4.6
139.04005	1.7
144.76834	0.4
147.02997	6.0
149.02423	0.7
149.06084	11.9
151.00320	0.3
152.01164	19.0
153.01903	2.0
153.05594	9.6
154.99878	1.7
155.03578	0.4
160.01645	4.7
161.02464	0.8
163.04037	0.7
164.04787	1.8
166.02684	2.2
166.99815	1.5
167.03499	77.4
167.67647	0.3
168.03885	0.6
171.03000	20.8
171.04472	0.8
173.00903	1.8
175.04022	10.0
176.04710	0.5
178.01224	0.7
178.02725	14.1
179.03618	1.2
182.02220	4.6
189.02303	0.4
189.04057	2.6
191.01971	1.4
191.03549	0.5
192.04337	2.4
193.05072	93.6
194.05487	1.7
196.03795	2.1
197.00842	1.3
197.04572	19.5
202.06335	0.4
203.03476	0.4
204.04391	0.4
206.05893	0.4
207.02957	0.7
207.06650	4.1
215.02028	7.5
217.08746	0.7
218.05815	0.5
219.06682	0.5
222.05359	2.4
223.06166	3.0
223.13408	0.6
233.02925	3.6
233.08356	0.6
235.06129	9.7
237.04279	0.4
237.07703	3.5
250.04785	0.5
261.07709	5.7
265.07190	10.6
269.04608	0.5
272.43564	0.3
279.05090	3.3
280.05527	0.4
297.06152	1.5
305.06650	0.5
309.06122	2.3
323.04282	3.3
323.07538	0.6
327.07245	2.5
339.07269	3.9
341.05112	2.1
341.49203	0.4
349.05725	0.6
353.05151	0.6
365.08835	4.2
367.06595	1.9
369.08395	3.6
371.06174	0.7
383.06271	5.4
401.07202	2.7
409.07858	5.2
413.07361	1.7
427.08743	2.1
429.17847	0.4
431.07965	0.8
473.11197	0.4
517.10046	0.7
517.89105	0.4
547.10815	0.5
577.12109	0.7
591.22913	1.9
592.23218	0.8
604.04694	0.4
643.54285	0.4
725.88092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1185.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	10.8
83.05006	0.3
84.02165	2.8
85.02950	94.2
86.03268	0.6
87.00877	0.5
89.03954	1.4
91.01879	2.9
93.03445	0.4
94.02965	0.3
95.01395	1.1
95.99514	0.3
97.02939	0.2
99.00842	0.5
99.04514	16.1
101.02447	0.5
106.04259	0.3
108.02176	7.3
109.02956	2.4
111.00879	28.7
112.01212	0.3
113.02450	0.4
117.03468	6.5
119.05042	0.4
121.02965	1.9
123.00887	3.8
123.04513	18.1
124.01638	2.9
125.02435	1.4
127.04005	43.8
128.04367	0.3
129.01933	30.3
132.02205	0.4
133.02956	1.0
134.03735	75.5
135.04092	0.5
136.01671	1.1
137.02452	3.4
137.07094	0.3
138.03250	0.4
139.00378	0.6
139.04005	1.1
145.03056	0.3
147.03015	6.5
147.04301	0.4
149.02393	0.4
149.06087	11.8
150.03230	0.7
151.00372	1.0
151.03989	0.4
152.01143	8.0
153.05592	1.0
154.99870	2.8
159.04524	0.3
160.01645	3.6
160.05330	0.4
161.02377	0.4
163.04007	0.6
164.04788	1.1
166.02704	3.3
167.03494	40.3
171.02975	12.4
172.03206	0.3
173.00917	1.6
174.03223	1.1
175.03999	7.3
176.04759	0.6
177.05583	0.4
178.02708	13.0
179.10785	1.2
182.02161	0.6
189.04044	1.9
189.05609	0.9
190.02779	0.4
191.01952	0.6
191.07117	0.4
192.04280	5.3
193.05064	100.0
194.05351	2.2
197.00900	0.4
197.04575	4.2
202.02632	0.5
202.06331	0.3
207.03009	0.4
207.06664	7.1
215.01999	5.3
217.08694	1.1
217.87628	0.3
218.05849	0.5
220.03775	1.3
223.06177	0.3
233.03012	3.3
233.08101	0.5
235.06134	18.7
261.07736	4.6
265.07260	1.3
271.06113	0.5
279.05130	6.1
279.58936	0.3
297.06241	4.5
305.06699	1.0
309.06079	0.3
323.04071	1.8
323.07504	0.4
329.13867	2.1
339.07248	6.0
341.05243	2.8
349.05737	0.5
365.08823	4.5
367.06656	1.8
383.06390	3.3
401.07382	3.6
409.02686	0.4
409.07803	8.4
409.28574	0.3
427.08838	2.8
459.22382	0.4
459.93958	0.3
473.11163	0.4
517.09973	2.3
563.23840	1.9
577.12201	1.9
665.28101	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1185.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02961	2.8
83.01373	1.1
85.02944	5.0
94.02973	36.3
94.06582	0.6
94.36562	0.5
95.03289	2.5
96.04527	2.7
99.04524	0.5
105.05838	1.0
108.04555	2.7
110.06097	7.9
111.00863	2.7
111.06475	0.6
120.08179	34.5
121.05250	0.6
121.08527	5.6
122.06115	13.2
123.04476	1.2
123.06429	1.1
127.03976	1.9
127.70780	0.5
129.01924	2.3
133.02972	0.6
133.68858	0.5
134.03717	2.4
134.06105	2.1
135.41791	0.6
137.04842	0.8
138.05603	20.0
139.05905	2.2
144.04555	3.1
150.05629	2.2
151.00133	0.6
152.07191	1.2
160.04121	0.7
161.04797	0.6
162.05580	2.7
164.07188	3.2
167.03479	2.9
174.05602	4.9
186.88968	0.5
187.06406	0.9
188.03543	2.1
193.05176	1.1
197.04561	0.9
201.10359	0.6
203.05907	8.2
204.06326	2.4
215.11929	3.4
216.12408	0.6
223.08765	2.4
224.09360	0.7
225.10420	0.6
225.13930	1.8
227.11911	0.5
233.03128	0.5
236.09526	3.1
237.10295	5.6
238.10785	1.2
239.08241	1.2
239.11809	2.7
240.12276	0.5
241.09802	0.5
241.13408	0.6
249.10278	3.1
249.13960	2.0
250.07463	1.9
250.11044	2.8
251.08125	1.0
251.09044	0.9
251.11920	22.1
252.12360	7.5
253.09738	1.0
253.12656	0.8
254.10529	0.6
257.12906	0.6
259.11142	0.7
261.12488	2.3
262.07455	0.6
263.08276	5.2
263.11807	5.9
264.08936	6.1
264.12595	2.3
265.06970	0.6
265.09567	2.7
265.13486	7.7
266.10468	2.7
266.13705	2.0
267.07648	0.6
267.11099	1.0
268.08533	2.2
269.04562	33.7
269.09012	1.6
270.04929	17.4
271.05222	5.5
271.09872	0.6
275.08289	0.5
275.11774	0.6
276.09048	5.9
277.09805	26.4
278.10397	12.0
279.11227	7.6
280.11951	2.3
281.09332	3.0
281.12741	1.1
282.10007	2.8
283.10812	3.6
284.03598	0.6
284.11392	1.1
285.12305	0.9
291.11411	30.4
292.12125	38.6
293.12863	35.4
294.09995	1.2
294.13144	9.3
295.10739	1.9
295.13776	2.0
296.11588	1.8
301.11877	1.2
303.13522	3.0
304.13663	0.7
306.10007	0.6
310.09634	0.8
311.10501	0.8
313.11911	1.1
314.12674	0.7
319.10327	1.6
324.11111	7.0
325.11801	5.1
325.15378	1.0
335.10400	15.7
336.11102	19.1
337.11768	13.2
338.12222	4.5
343.13098	1.0
344.13965	2.1
344.17825	0.6
346.15533	2.7
347.16214	0.8
348.16977	0.8
358.15689	2.0
360.17233	4.6
361.17694	2.7
362.14761	0.9
362.18814	0.8
372.13177	1.0
372.17215	7.3
373.17752	4.0
374.14691	1.1
374.18719	3.4
375.19330	1.1
384.13110	0.8
386.15167	2.1
387.15320	1.1
388.16534	4.0
388.20844	0.7
389.17197	3.1
390.18106	3.8
391.19003	1.0
398.15393	0.8
400.16364	1.0
402.18451	4.0
403.18552	2.6
404.15887	0.7
405.16672	0.7
406.17679	3.0
414.18301	12.3
415.18805	5.8
416.18655	2.3
418.17874	7.3
419.17944	3.1
420.18961	0.7
421.16269	1.1
422.16534	0.6
430.17728	0.8
432.19543	8.8
433.19699	3.2
434.20865	0.7
436.18921	1.2
441.17154	0.9
446.17010	2.2
447.17877	3.2
448.18182	1.0
457.22629	0.9
458.17291	4.7
459.17975	10.6
460.18155	4.4
461.18237	2.0
469.22586	2.1
475.17929	0.6
476.18301	15.6
477.18970	17.4
478.19366	7.8
479.19736	2.8
490.20032	2.2
491.20181	1.0
499.23254	0.9
506.77939	0.6
508.20911	25.7
509.21234	10.0
510.21524	5.0
511.23447	3.5
512.23865	0.6
529.24628	2.6
530.24750	0.9
537.21429	0.7
542.48303	0.6
553.24713	0.6
555.22906	2.9
556.23187	0.9
571.25427	0.9
573.23682	8.2
574.23840	2.5
575.24377	1.1
587.24701	1.9
589.26135	0.8
597.23553	2.2
605.26288	38.0
606.26630	15.9
607.27045	9.0
615.24591	8.9
616.25201	3.9
617.25641	3.6
629.26563	2.1
633.25708	24.5
634.25977	10.6
635.26160	8.3
647.27350	22.2
648.27618	12.5
649.27936	8.4
665.28375	100.0
666.28772	42.1
666.37915	1.0
667.29041	32.3
673.56976	0.6
871.33148	0.6
950.23944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.273
Annotation	Unknow
Peak:m/z	Relative Intensity
83.00922	0.4
83.01389	10.7
84.02167	2.6
85.02946	100.0
86.03268	0.5
87.00890	0.4
89.03947	1.0
91.01884	3.7
93.03475	0.2
95.01392	1.0
97.02949	0.9
99.04508	12.2
101.02430	0.3
106.04251	0.3
108.02168	9.8
109.02978	1.9
111.00875	29.1
117.03458	3.7
119.94054	0.2
121.02948	0.9
123.00878	4.4
123.04514	23.1
124.01657	4.1
125.02439	1.9
127.00349	0.4
127.04002	30.8
129.01929	29.2
130.02222	0.3
132.02162	1.0
133.02943	0.4
134.03728	47.2
135.04036	0.2
136.01616	2.2
137.02411	2.0
138.03278	0.3
139.00394	0.3
139.04016	0.8
146.45137	0.2
147.03000	7.5
147.04289	0.7
149.02402	0.2
149.06070	8.4
151.00365	0.9
151.03969	1.2
152.01147	10.0
153.01971	0.4
154.99878	1.8
160.01654	6.1
161.02319	0.3
162.03151	0.3
163.03987	1.1
164.04771	0.5
166.02696	4.9
167.03485	49.8
168.03807	0.4
171.02988	13.0
173.00896	1.5
173.02251	0.3
174.03214	2.3
175.03992	12.3
175.05528	0.4
176.04826	1.7
177.05470	0.3
178.02692	7.6
189.04034	2.0
189.05585	1.3
191.01955	1.5
191.03471	0.3
191.07104	0.9
192.04292	7.8
193.05057	68.4
194.05321	1.0
197.00975	1.0
202.02701	1.3
202.06375	0.9
207.06633	9.9
215.02003	6.1
217.08563	0.9
218.05910	0.3
220.03716	1.6
221.04530	0.3
227.03488	0.4
233.02983	3.7
233.04898	0.3
233.08125	1.1
235.06120	26.1
236.06308	0.3
242.50108	0.3
247.41924	0.3
255.02916	0.5
261.04303	0.4
261.07651	5.6
277.07248	0.3
279.05124	8.3
284.03247	0.9
285.04083	0.5
289.33191	0.3
297.06168	4.4
302.35223	0.2
305.06616	0.9
323.04126	2.2
323.07489	0.4
339.07239	6.3
341.05173	3.8
343.08160	0.3
349.05661	0.9
365.08829	3.8
367.06705	1.4
383.06232	6.3
401.07254	4.6
409.07828	7.4
427.08832	3.8
473.10724	1.0
517.09863	6.0
518.08771	0.3
577.12207	4.7
609.14539	1.2
1193.98010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	0.6
83.05039	0.2
85.02955	1.9
89.02446	0.2
91.01871	0.2
93.84088	0.1
99.04521	12.0
101.02445	3.4
103.79415	0.1
107.01419	0.3
108.84105	0.1
111.00884	0.7
113.02477	1.0
121.02969	0.5
122.66574	0.2
123.04539	0.3
125.02444	13.3
127.04017	0.2
129.01920	1.0
133.02979	1.3
134.03755	0.3
135.00856	0.2
135.04445	0.1
143.03476	0.7
149.02472	0.2
153.05594	0.7
159.04546	0.3
161.04539	0.7
167.03464	0.3
181.06677	0.6
182.02188	0.2
183.04547	0.6
187.11246	1.0
189.12810	0.9
193.05128	0.3
197.04568	1.7
197.06097	0.2
198.04854	0.2
199.04120	0.2
201.05618	0.2
203.05630	0.2
205.12357	1.3
207.13980	0.7
213.05582	0.2
219.13928	0.2
224.04836	0.2
225.05647	0.3
233.11858	0.3
233.15495	0.2
243.13846	0.2
245.15520	0.3
247.13388	1.7
248.55357	0.2
253.18219	0.2
259.13443	0.2
261.18631	0.7
263.07568	0.1
263.16522	4.0
267.07269	0.3
268.03766	0.9
269.04584	49.4
270.04932	1.2
273.14902	0.2
273.18423	0.2
287.16367	0.3
289.14487	0.2
301.18146	0.3
303.16122	0.7
305.08838	2.7
317.17661	0.8
319.19174	1.5
321.17108	0.2
345.17111	2.3
359.18738	0.6
363.18201	100.0
364.18521	3.2
377.19748	6.0
378.20105	0.2
405.19244	7.9
406.19647	0.2
499.07187	0.2
507.22397	0.6
517.19397	1.2
525.23566	1.3
567.24683	0.2
608.27869	0.2
625.28772	5.1
669.27747	35.5
670.28357	1.7
770.98749	0.2
915.00586	0.2
981.20276	0.2
1196.30151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1195.6029
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01380	0.1
83.05022	3.4
83.41482	0.0
84.48820	0.0
89.00339	0.1
91.01877	0.4
95.96841	0.0
100.07642	0.0
101.02441	0.0
103.58296	0.0
107.01379	0.7
108.04543	0.2
109.02928	0.1
117.03477	0.1
123.04526	0.2
125.07188	0.3
126.05588	0.1
132.02133	0.4
133.02942	2.1
134.03775	0.1
135.00894	0.3
135.04520	0.4
141.03514	0.0
143.08241	0.1
149.02423	0.0
151.00360	0.2
152.06352	0.1
153.01926	0.1
155.05006	0.2
156.05800	0.1
157.02917	0.5
157.06563	0.1
159.04521	0.9
161.02431	0.2
167.05026	0.1
169.06548	0.5
171.04517	0.1
173.06078	0.1
176.01118	0.1
180.05785	0.5
181.06577	1.4
182.03865	0.1
183.04482	1.0
195.04510	0.2
196.05315	0.5
197.06067	0.8
199.04068	0.3
201.05598	1.1
207.15077	0.5
208.05302	0.0
209.06065	0.3
211.04088	0.4
212.04817	0.2
213.05600	0.4
223.04018	0.3
224.04787	1.3
224.17674	0.9
225.05557	1.1
225.16096	4.5
226.02675	0.1
226.16222	0.0
227.03520	0.4
237.05603	0.0
239.03545	0.8
240.04286	0.6
241.05063	0.5
242.18781	0.2
250.15613	0.0
253.05133	0.7
255.06546	0.1
265.05090	0.1
267.03003	1.0
268.03799	8.9
268.16699	0.1
269.04565	100.0
270.04910	1.6
271.06116	0.2
279.06390	0.0
281.04636	0.2
282.05298	0.1
283.06082	0.3
290.22516	0.1
291.06683	0.7
293.04333	0.1
309.21838	0.3
311.05634	3.7
324.26584	0.2
333.23001	0.2
335.05670	0.3
341.29260	0.3
350.24399	0.0
351.23920	0.1
353.06744	0.3
367.27328	0.6
374.04037	0.0
385.28195	0.3
387.59949	0.0
407.33646	0.0
413.08862	0.1
433.31866	0.4
450.34509	0.6
451.32947	3.6
452.33130	0.0
473.10846	1.2
535.38647	0.1
550.43567	0.5
559.39856	0.3
565.44501	0.2
567.45947	0.1
577.40820	0.0
593.43970	0.3
631.48981	0.0
633.24194	0.1
659.48798	1.4
677.49792	37.8
678.50049	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	1196.6742
Annotation	Unknow
Peak:m/z	Relative Intensity
83.00917	0.1
83.01386	1.3
84.02162	0.1
85.02946	7.8
86.00085	0.3
87.00868	1.6
89.02438	6.5
95.01379	2.3
97.02941	3.2
98.34107	0.0
99.00871	10.5
100.01666	0.1
101.02434	1.9
107.01482	0.0
111.00887	0.4
112.01654	0.9
113.02443	7.8
115.00362	0.5
119.03474	0.2
123.00840	0.1
125.02430	6.8
127.00383	0.0
129.01927	0.6
131.03485	1.4
139.00363	0.6
141.01949	0.0
142.02727	0.2
143.03491	0.2
149.04555	0.3
157.01410	2.0
170.35089	0.0
191.05675	0.2
218.84041	0.0
219.05095	0.1
249.06256	0.2
249.27795	0.0
289.05765	0.1
307.06726	0.1
359.27295	0.0
391.30035	0.1
407.33191	0.1
437.34726	0.0
451.35858	0.0
457.37039	0.1
463.36020	0.2
483.38510	0.1
501.35760	0.0
535.37872	0.2
551.37280	0.2
563.37793	0.3
581.38647	0.1
583.40051	1.1
584.40594	0.1
595.36584	0.1
627.39264	0.2
638.40216	0.0
641.40747	0.1
679.41888	0.0
741.42365	0.7
759.42328	0.1
765.44891	0.1
791.45990	1.5
792.46277	0.1
844.81799	0.0
849.47253	0.1
891.47595	100.0
892.47778	4.6
929.40387	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0294
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
59.09625	0.1
69.89323	0.1
73.45268	0.1
76.57636	0.2
91.01880	0.7
92.02676	0.2
92.11797	0.3
92.93631	0.1
93.03452	1.5
95.01382	0.2
108.02182	2.1
121.02956	100.0
122.03294	4.0
132.55547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0765
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
52.28440	3.8
56.40122	3.1
69.16090	3.5
71.04984	3.6
75.37112	3.2
82.50606	3.7
87.28503	3.5
88.14095	3.4
89.48381	3.4
97.43119	3.3
102.02852	3.5
107.94442	3.6
126.90466	6.4
127.04010	6.8
127.07660	92.0
128.03531	100.0
128.08078	4.3
137.33084	3.8
146.28439	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	129.0194
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
55.01875	0.7
57.03460	1.0
58.02995	4.1
58.37744	0.4
59.01374	1.7
67.01899	1.0
68.99819	100.0
70.00159	2.3
71.01379	2.9
73.02941	3.0
85.02951	26.8
85.06542	0.4
86.03291	0.6
88.04047	5.9
95.70110	0.4
96.99294	0.5
101.02456	4.5
101.89847	0.4
111.00919	0.5
129.01935	12.3
129.03906	0.8
129.05556	3.5
129.07532	0.7
130.04085	0.5
130.05072	0.8
130.08742	12.4
139.74295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0557
Annotation	2-Ketohexanoic acid
Peak:m/z	Relative Intensity
50.13687	4.2
85.02971	5.4
91.85461	5.7
119.68776	6.2
129.05594	100.0
130.08716	13.7
141.48311	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	129.0556
Annotation	2-Ketohexanoic acid
Peak:m/z	Relative Intensity
50.64570	3.3
69.29474	3.4
85.02928	6.8
85.06588	3.8
88.79161	3.8
97.19611	3.6
101.06044	4.0
129.05576	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	129.0556
Annotation	2-Ketohexanoic acid
Peak:m/z	Relative Intensity
58.74514	6.3
70.49403	5.0
90.96887	5.5
92.65869	5.8
99.84201	5.9
101.04180	5.5
101.04895	5.7
110.13345	5.5
129.05557	100.0
135.29236	6.5
141.81726	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	130.0872
Annotation	Isoleucine
Peak:m/z	Relative Intensity
73.02935	1.9
103.25700	0.4
110.38284	0.4
130.08722	100.0
131.09109	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	131.0349
Annotation	Glutaric acid
Peak:m/z	Relative Intensity
53.96863	0.2
54.36774	0.3
58.35984	0.3
61.61652	0.3
66.19713	0.3
67.06995	0.2
69.03461	1.2
71.01388	0.4
82.31075	0.2
82.31539	0.3
87.04512	100.0
88.04038	2.3
88.04848	2.8
91.95032	0.3
92.12404	0.6
110.66827	0.3
113.02454	6.6
114.01903	0.3
115.00356	0.5
115.92041	0.4
131.03496	22.5
132.02971	0.6
132.03860	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0713
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
59.01381	1.1
59.43010	0.6
64.97442	0.5
66.74844	0.6
73.02950	3.0
81.93828	0.8
85.02950	0.7
85.06593	100.0
86.06908	2.3
87.04490	0.8
88.04022	0.9
103.28779	0.6
113.05996	0.9
129.05574	1.0
131.07144	67.4
132.07478	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	133.0141
Annotation	Malic acid
Peak:m/z	Relative Intensity
50.60056	0.4
51.76910	0.4
55.03080	0.3
56.27042	0.4
59.01390	1.0
71.01389	57.3
72.01720	1.0
72.99307	13.0
87.00845	1.0
89.02438	7.5
93.52459	0.5
102.20954	0.4
115.00365	100.0
116.00693	2.3
124.03793	0.5
127.47424	0.4
133.01422	31.8
141.25356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
51.45053	0.4
59.01389	0.8
59.12469	0.3
63.96579	0.4
71.01384	60.4
72.01717	0.8
72.99311	15.7
77.18026	0.4
85.44566	0.4
87.00890	1.0
88.49895	0.4
89.02443	6.8
91.51254	0.5
109.24680	0.4
115.00371	100.0
116.00678	2.0
117.48374	0.4
133.01427	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	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01387	0.7
60.94708	0.5
68.92583	0.4
71.01383	60.5
72.01716	0.9
72.99304	14.1
72.99678	0.8
87.00848	1.1
88.71457	0.4
89.02449	6.5
107.03629	2.3
115.00367	100.0
116.00717	2.6
133.01428	28.9
134.04721	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	134.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59475	0.5
57.99803	0.4
72.01689	1.1
75.00852	0.7
79.95549	0.5
80.05679	0.7
92.02551	5.8
92.11671	0.6
97.29214	0.7
107.03639	21.4
107.05007	0.6
116.00716	3.5
117.66895	0.6
131.29317	0.5
134.04729	100.0
134.86534	3.6
134.87497	0.5
134.89470	11.6
135.04382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0299
Annotation	Threonate
Peak:m/z	Relative Intensity
59.01158	0.5
59.01385	10.2
71.01377	4.2
72.62305	0.6
72.99301	15.9
75.00866	100.0
76.01188	0.5
87.00833	1.0
89.02445	12.2
117.01932	2.9
135.02989	45.3
135.85031	0.6
136.03313	0.7
138.29384	0.5
138.55484	0.5
152.82008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0243
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
65.03969	0.5
93.03455	100.0
94.03790	3.5
119.83961	0.2
137.02441	24.7
138.02779	0.5
146.67232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0608
Annotation	1-(4'-Hydroxyphenyl)ethanol
Peak:m/z	Relative Intensity
61.79076	0.7
66.03498	6.5
67.71295	0.8
81.03446	1.8
81.48486	0.8
82.02962	0.9
93.03458	88.7
94.03005	1.4
94.03815	3.3
97.90324	0.8
106.04247	19.4
107.05045	7.7
108.02199	6.0
109.02953	1.6
119.05025	25.1
136.86304	1.4
136.89194	9.7
137.02449	22.9
137.03470	1.6
137.06084	100.0
137.89186	1.1
138.01944	0.9
138.03079	1.6
138.05582	4.5
138.06468	3.6
141.73581	0.9
154.43483	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
50.80648	0.1
59.19022	0.2
62.15231	0.1
66.03483	1.3
79.95755	0.2
91.79225	0.2
93.03436	0.4
94.02943	0.3
94.03773	1.3
94.98077	0.4
95.01421	0.2
100.76974	0.2
108.02174	45.9
108.04562	0.7
109.02483	1.8
124.01580	0.3
138.01967	100.0
138.05434	1.4
139.02315	3.3
139.04034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0194
Annotation	cis,cis-4-Hydroxymuconic semialdehyde
Peak:m/z	Relative Intensity
55.01885	1.0
57.03455	0.9
59.01388	79.9
65.37792	0.6
66.19582	0.5
67.01907	0.6
68.99819	17.1
69.03459	1.4
71.01382	17.9
72.99304	4.3
73.02950	10.3
79.16000	0.5
81.64906	0.5
85.02951	10.4
95.01382	1.4
97.02937	1.2
99.00875	100.0
100.01218	1.3
103.70224	0.6
113.02444	6.3
114.00986	1.1
115.54210	0.6
131.16101	0.6
141.01967	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	143.0713
Annotation	7-Oxoheptanoic acid
Peak:m/z	Relative Intensity
51.23466	2.3
55.01876	14.1
56.53525	2.4
57.03189	4.0
57.03453	63.1
59.01371	14.2
59.83809	2.5
69.03465	20.9
71.01379	43.4
71.54329	2.6
72.99305	2.8
73.02932	14.9
82.29293	2.6
83.01414	2.6
85.02950	41.0
87.00891	3.8
87.04510	19.0
92.11759	5.3
95.56873	2.5
97.02946	6.8
113.02450	40.4
115.04007	12.0
125.02419	11.8
143.03532	33.6
143.07137	100.0
144.04549	71.9
144.07523	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	143.0713
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
55.01871	7.6
55.84460	3.1
57.03448	47.5
63.02201	3.5
69.03436	8.3
71.01365	23.6
71.05007	22.1
73.02921	5.4
74.49227	3.7
76.47334	3.7
79.82213	3.2
81.26269	3.6
81.65952	3.2
82.84446	3.2
85.02924	22.3
86.06213	3.3
87.04481	19.3
93.52346	3.7
99.08131	4.5
99.66420	3.7
113.02433	22.2
143.03494	21.0
143.07106	100.0
144.04541	21.1
163.20837	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	143.0714
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
55.01876	21.3
55.02179	2.9
55.88935	3.2
57.03461	100.0
57.06185	3.8
58.02937	3.4
58.03781	4.1
59.01373	19.6
59.58566	2.9
60.15221	3.4
61.13346	3.1
64.01666	3.4
68.81689	4.3
69.03452	36.9
71.01029	5.0
71.01385	65.8
71.05019	5.7
72.01677	3.4
72.99316	4.5
73.02931	8.1
74.15575	3.9
83.01373	4.3
85.02956	80.8
87.04511	38.0
89.01421	4.4
97.02934	19.3
99.08144	8.8
102.42504	4.1
113.02436	56.0
115.04024	5.1
125.02396	22.2
140.21049	4.6
143.03532	50.3
143.07150	88.7
144.04572	29.6
144.07516	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	144.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85215	0.1
55.01862	0.2
55.48732	0.1
56.05799	0.1
57.03456	0.3
58.03800	0.2
71.01385	0.2
72.04575	0.1
73.02945	1.4
73.59068	0.1
76.11320	0.2
82.02976	0.3
83.01367	0.2
83.05025	0.3
84.74249	0.1
85.02936	0.7
87.00865	0.3
89.03149	0.1
89.83011	0.1
101.02422	0.3
101.06090	1.3
116.05050	1.3
117.03441	0.2
126.03537	0.3
127.03963	0.2
142.02965	0.2
144.04555	100.0
145.04919	7.8
145.08711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0456
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
63.10365	0.2
67.46022	0.2
69.44935	0.2
99.08150	8.4
116.05043	1.1
126.03484	0.4
128.06010	0.2
144.04555	100.0
145.04916	6.6
145.08711	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	144.1029
Annotation	N-METHYLISOLEUCINE
Peak:m/z	Relative Intensity
50.29691	0.5
52.12457	0.4
57.45889	0.5
68.48671	0.6
73.02918	1.1
77.36057	0.5
80.32356	0.5
82.43470	0.5
85.02926	0.9
98.09734	0.6
108.78799	0.5
110.44216	0.5
115.47054	0.5
144.04529	3.0
144.06642	2.2
144.10298	100.0
145.10663	7.6
164.15959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0506
Annotation	3-METHYLGLUTARIC ACID
Peak:m/z	Relative Intensity
50.65678	0.3
53.36771	0.3
54.68902	0.3
55.01879	0.4
57.03460	2.1
59.01378	1.6
59.89113	0.3
71.01389	0.7
71.05013	2.7
72.48627	0.3
73.02953	1.9
74.02497	0.6
81.03460	1.8
83.01393	0.3
83.05022	19.0
83.97920	0.3
85.02950	0.7
87.00892	0.4
101.02423	3.8
101.06069	100.0
101.67178	0.3
102.05602	43.8
102.06363	3.3
104.02831	0.3
127.04019	5.4
128.03531	17.8
128.04367	0.8
132.20268	0.3
145.05058	24.8
146.04575	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	145.0507
Annotation	2-Methylglutaric Acid
Peak:m/z	Relative Intensity
54.03755	0.4
57.03461	3.3
57.04038	0.4
64.92266	0.4
71.01386	1.0
71.05022	2.1
73.02954	1.9
73.37876	0.4
81.03455	1.9
83.05026	19.3
84.04562	0.4
85.02959	0.7
92.11794	0.8
101.02425	2.2
101.06075	100.0
102.05606	16.6
102.06398	3.2
115.00430	0.6
116.03561	0.5
127.04035	5.3
128.03523	7.0
131.87811	0.5
134.84363	0.4
145.05067	28.4
146.04494	3.3
150.87361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
56.53601	0.4
57.03431	0.5
58.40779	0.4
71.01417	0.6
75.29865	0.5
83.05022	0.6
85.02946	1.2
90.36066	0.5
97.06584	2.1
99.08150	100.0
100.08473	3.3
101.06059	0.5
102.05623	0.6
127.07677	0.9
132.16383	0.7
143.07141	0.9
145.04932	12.2
145.08705	72.6
146.09044	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	145.087
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
76.99490	0.4
85.02953	0.6
92.12379	0.7
97.06594	0.5
99.08154	100.0
100.08493	4.7
102.03510	0.4
127.07628	3.4
130.68420	0.5
136.59196	0.5
143.07150	0.8
145.08707	59.0
146.02440	0.6
146.09033	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	146.0458
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
53.57632	0.3
57.03457	1.4
59.27747	0.3
68.80728	0.3
74.02469	2.4
74.38078	0.3
77.15439	0.3
82.02966	0.4
84.04537	1.5
85.02958	4.4
87.00854	3.2
99.11678	0.4
102.05597	100.0
103.05922	3.4
107.42787	0.3
125.92839	0.3
128.03525	45.1
129.01909	0.8
129.03856	1.8
146.04587	27.8
147.02997	0.6
147.04906	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	147.0122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45041	0.4
55.01893	7.9
57.03453	2.6
59.01394	6.8
66.15211	0.5
68.08488	0.5
68.99803	0.8
71.01384	11.1
72.99283	1.0
75.00864	1.2
85.02961	4.3
87.00871	3.3
89.35415	0.5
99.00877	100.0
100.01201	2.4
101.02418	1.4
103.04027	1.1
103.05960	0.7
115.23445	0.5
129.01923	5.4
130.52087	0.5
147.03008	2.4
147.06631	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	147.0452
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
53.83238	6.6
55.01890	73.2
57.03460	43.2
59.01381	69.1
66.04943	7.6
71.01391	42.0
71.05011	13.2
72.99295	12.8
75.00875	16.9
78.88899	8.5
79.62550	7.9
85.02949	93.3
87.00875	47.2
99.00878	41.6
101.02450	18.0
103.04027	13.8
103.05963	10.1
116.48065	8.7
120.06652	17.3
129.01965	67.7
130.53455	11.1
131.16386	8.5
147.02983	20.8
147.04517	100.0
147.06647	46.7
153.08212	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	147.0452
Annotation	Coumarin
Peak:m/z	Relative Intensity
50.64770	4.7
55.01868	7.8
59.01379	9.2
61.98824	11.9
71.01391	5.7
84.63194	4.7
84.99285	10.1
85.02928	8.4
89.02415	7.0
112.35633	6.0
135.45447	5.1
138.73129	5.3
147.04529	100.0
148.04916	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	147.0453
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
50.80089	2.6
51.40194	2.3
54.82276	3.0
55.01899	34.7
57.03452	18.6
59.01141	3.5
59.01397	58.5
61.98845	76.8
63.90618	3.3
68.76743	2.9
70.02980	6.4
71.01394	33.7
72.99297	3.9
73.02946	3.3
75.00877	25.7
84.99302	26.2
85.02947	24.9
86.02513	3.6
87.00861	16.2
89.02407	6.1
92.65146	2.8
99.00871	7.0
101.02449	6.3
103.04018	4.0
115.22404	2.8
119.05060	6.4
120.06603	6.8
129.01947	23.0
130.02005	2.8
147.03036	17.3
147.04518	100.0
147.06584	12.6
148.04942	7.2
160.55267	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	148.0438
Annotation	D-Methionine
Peak:m/z	Relative Intensity
51.55680	7.1
57.34250	7.6
60.04661	7.0
63.06071	7.1
68.22745	7.9
71.01396	16.0
73.02921	12.8
76.47125	7.3
89.02457	68.4
100.04037	48.3
117.73943	9.5
128.37465	8.4
144.22885	10.1
148.04396	100.0
149.04584	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0244
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
57.03435	7.4
59.01382	100.0
66.81439	4.9
71.01376	27.5
73.02951	5.6
74.30592	5.2
79.95730	35.0
89.02440	25.6
93.03438	10.8
94.99294	43.4
98.78294	5.8
101.02453	9.2
104.97733	14.2
121.02961	54.4
134.03738	8.6
142.22968	6.5
148.96710	11.4
149.02579	80.3
149.04539	11.8
154.60028	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	149.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.4
59.01385	100.0
63.06471	2.0
66.58043	1.9
66.96851	1.8
67.36093	2.0
68.52667	2.0
71.01383	31.5
72.99300	3.4
73.02929	4.4
75.00869	2.1
83.57405	2.1
85.02944	3.5
87.00880	4.4
87.62389	1.9
89.02432	32.1
93.03448	4.5
94.99284	25.4
101.02441	18.4
104.97733	10.4
110.05332	2.4
121.02958	26.8
130.65518	2.2
131.03450	3.3
134.03723	9.4
148.96738	9.3
149.01083	2.1
149.02675	60.7
149.04541	18.9
149.05658	2.6
150.00153	3.4
150.02951	2.5
150.05612	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	149.0454
Annotation	beta-l-xylopyranose
Peak:m/z	Relative Intensity
54.17146	0.6
55.99044	0.6
57.03441	0.7
59.01110	0.9
59.01384	15.4
69.03444	3.3
69.23848	0.7
71.01382	29.6
72.99295	1.8
73.02947	24.6
75.00869	13.9
85.02935	1.7
87.00874	10.4
89.02437	100.0
90.02756	3.1
90.45993	0.8
92.64785	0.8
101.02467	1.2
103.04025	5.5
113.93784	0.9
131.03502	16.9
149.04552	74.5
150.04861	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	149.0454
Annotation	beta-l-xylopyranose
Peak:m/z	Relative Intensity
56.67348	0.7
57.03443	0.7
59.01388	10.2
66.41482	0.6
69.03442	2.9
71.01376	27.7
72.01682	0.9
72.99293	1.5
73.02938	21.7
75.00869	13.0
87.00864	11.0
89.02435	100.0
90.02753	1.3
103.03969	6.1
125.23978	0.6
126.08135	0.7
131.03474	16.1
142.55673	0.7
149.04546	75.1
150.04903	2.9
160.78242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	beta-l-xylopyranose
Peak:m/z	Relative Intensity
53.53471	0.4
55.01870	0.4
55.70893	0.4
55.71348	0.4
59.01386	8.7
64.34939	0.5
69.03457	2.8
71.00988	0.9
71.01381	28.7
72.99312	0.9
73.02946	20.5
75.00482	0.8
75.00857	6.8
85.02947	1.9
87.00875	9.8
89.02443	100.0
90.02782	2.5
92.12408	0.9
101.02432	1.0
103.04007	6.2
124.62655	0.5
129.09995	0.6
131.03497	17.1
149.04561	70.3
150.04909	2.5
151.84563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	Vanillin
Peak:m/z	Relative Intensity
58.00913	0.3
59.01108	0.6
59.01386	15.9
66.03497	0.8
71.01359	4.3
73.02950	0.7
76.33399	0.3
79.02805	0.4
82.00597	0.5
89.02412	1.8
91.01894	1.4
92.02660	4.3
95.00774	0.6
95.01385	14.6
96.01679	0.4
98.93775	0.4
101.02408	1.9
106.00588	0.5
107.05021	0.6
108.01446	0.7
108.02174	14.5
108.04531	0.8
119.01387	0.7
123.00862	1.8
123.04485	0.6
125.02441	0.4
125.05354	0.4
136.01653	67.4
137.01987	2.1
151.04007	100.0
152.04379	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	153.0192
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
54.82645	0.2
59.01381	0.3
65.03966	0.3
73.13542	0.2
80.96489	0.2
81.03442	1.5
82.02965	0.2
83.01403	0.3
91.01883	1.1
93.04627	0.3
93.97913	0.2
108.02171	7.0
109.02945	100.0
110.03286	5.1
124.47207	0.2
137.03568	0.3
153.01929	17.5
154.02280	1.3
154.05051	0.2
154.06213	0.3
160.64157	0.2
168.23233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0192
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
50.68779	0.4
50.79993	0.5
51.59299	0.4
53.24699	0.4
54.25877	0.5
54.49915	0.5
65.03651	0.9
65.03975	18.7
65.67364	0.5
67.01906	7.3
91.01893	6.9
92.11672	1.2
102.59680	0.6
109.02946	100.0
110.03264	4.5
128.95828	0.5
128.96933	0.5
135.00880	28.3
136.01219	1.1
148.94283	0.5
153.01932	74.6
154.02249	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	154.0511
Annotation	(3S,5S)-Carbapenam-3-carboxylic acid
Peak:m/z	Relative Intensity
54.23915	0.2
54.82980	0.3
56.58036	0.2
59.01388	23.3
60.61995	0.2
61.88960	0.2
67.62968	0.2
68.01416	0.6
69.03448	0.3
70.02969	0.5
78.95908	0.4
80.05047	0.4
81.02199	4.0
82.02982	58.6
83.03323	1.8
83.05002	0.3
84.04514	0.3
92.05061	2.2
92.66174	0.3
94.03011	0.3
94.19675	0.3
96.00924	1.1
96.04563	0.4
96.95988	1.4
108.04567	1.2
109.02978	0.4
110.02505	0.4
110.03293	1.2
111.04510	0.5
112.04057	0.5
120.38776	0.3
124.04034	100.0
125.04370	5.4
136.04033	14.4
137.04385	0.4
138.62469	0.3
140.01152	0.6
154.05101	2.5
154.06230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	28.4
66.03494	0.4
67.01882	0.2
67.05073	0.2
68.01421	1.0
68.99829	0.2
69.03460	0.8
70.02979	0.8
72.00934	0.2
78.95901	0.3
81.02203	4.0
82.02983	61.8
83.03310	1.9
83.05025	1.2
92.05056	2.9
93.04594	0.4
94.02959	0.5
94.98058	0.3
96.00911	1.1
96.04549	0.3
96.95996	1.0
102.29153	0.2
108.04581	1.9
109.02975	0.3
110.02515	0.9
110.03318	1.3
110.09731	0.2
111.04521	1.8
112.04068	2.1
124.04041	100.0
125.03685	0.3
125.04397	5.1
136.04041	14.2
137.04420	1.0
140.01190	1.0
153.86844	0.4
154.02420	0.2
154.05112	2.0
154.06200	0.4
155.03459	0.3
159.21751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0351
Annotation	(2S,3S)-2,3-Dihydro-2,3-dihydroxybenzoate
Peak:m/z	Relative Intensity
54.82570	0.6
57.03463	0.9
59.01387	55.4
60.01719	1.0
65.03974	3.1
67.01900	5.5
69.03416	0.7
70.02979	0.9
78.95907	4.5
83.01392	14.6
83.05022	2.9
84.04565	6.5
85.02953	1.3
86.00891	0.7
94.02951	0.8
96.00839	0.8
96.96006	3.9
96.96974	1.2
108.67616	0.7
108.86004	0.6
111.00880	18.8
111.04518	63.0
112.01175	0.9
112.04061	1.2
112.04843	3.1
112.07628	0.7
113.57627	0.7
114.05600	100.0
137.02481	1.0
140.01160	3.8
154.99872	0.9
155.03548	13.0
155.04729	1.3
156.06670	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	157.0505
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
58.07226	0.4
61.41951	0.5
62.84487	0.4
65.12011	0.4
94.63912	0.5
99.94021	0.5
113.06081	100.0
114.06435	4.8
157.05060	11.5
158.05351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.087
Annotation	2-n-Propyl-4-oxopentanoic acid
Peak:m/z	Relative Intensity
54.80264	0.9
57.03457	100.0
58.74449	1.0
59.01382	12.6
68.72653	1.1
69.03435	2.2
74.00600	1.0
77.35625	1.1
84.99293	4.2
85.06564	6.7
86.02457	1.9
95.05029	1.9
97.06573	1.2
99.08134	5.2
111.08205	8.4
113.06063	2.0
113.09728	55.1
114.10071	1.7
115.00317	1.4
128.05009	1.9
129.09268	2.3
130.06631	4.7
156.89453	2.0
157.08699	56.2
157.12309	4.9
158.06116	6.2
158.09157	1.4
169.20647	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89970	0.2
51.95539	0.2
59.01388	2.2
59.35180	0.3
64.35851	0.3
74.92202	0.3
75.16399	0.3
81.13207	0.3
83.35595	0.3
84.93879	0.7
86.95423	1.6
92.11816	0.4
99.92583	32.5
100.92604	2.9
114.94924	24.5
114.95761	0.5
115.92055	0.6
115.94933	1.5
116.92856	100.0
117.92858	7.5
119.51891	0.3
154.71150	0.3
158.93904	12.8
158.95122	0.6
159.94046	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	158.939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47663	0.2
50.82771	0.2
59.01386	1.8
61.60239	0.3
63.81340	0.3
84.93880	0.5
86.44892	0.3
86.95439	3.4
94.64498	0.3
99.92582	35.2
100.92599	2.1
114.94930	21.4
115.92070	0.5
115.94936	2.1
116.92855	100.0
117.92872	7.0
158.93903	11.7
158.95139	0.6
159.93970	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	159.0298
Annotation	D-2,3-Diketo 4-deoxy-epi-inositol
Peak:m/z	Relative Intensity
52.76577	1.0
55.01883	12.1
57.03192	1.7
57.03455	33.4
58.00594	4.0
59.01376	4.7
59.05022	1.5
60.44773	0.9
68.99801	2.0
69.03455	1.2
71.01386	7.3
71.23951	0.9
73.02940	4.3
75.27127	0.8
76.53923	0.9
83.01382	100.0
84.01714	2.0
85.02946	13.7
87.04507	19.8
87.05621	2.5
89.54678	1.0
90.00764	1.2
92.11755	3.2
97.06577	6.3
98.68059	1.0
99.00874	47.2
99.92591	2.3
113.02436	1.9
115.07639	5.9
116.92860	7.5
123.15890	1.0
127.00375	8.9
141.01950	6.9
159.02960	6.0
159.06573	2.2
159.50949	1.0
159.89420	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0819
Annotation	beta-Cymaropyranose
Peak:m/z	Relative Intensity
52.24533	1.5
54.05637	1.4
54.59605	1.5
55.01869	1.8
57.03445	3.5
59.01386	33.9
61.02117	1.7
63.68342	2.1
71.01386	34.2
71.05020	33.6
72.99297	3.0
73.02933	11.1
81.03450	2.5
83.01371	4.0
85.02959	33.0
87.04498	16.8
89.02440	9.0
92.12406	3.7
96.99321	2.9
97.02934	2.4
99.04514	91.8
101.02467	14.6
113.02425	3.8
115.03297	2.2
115.04012	38.4
115.07629	9.6
117.05575	50.2
119.03632	14.1
129.01927	10.3
129.18193	2.0
131.03514	17.0
143.03490	2.6
161.04585	16.5
161.08192	100.0
161.09546	3.8
161.89539	1.9
162.04221	17.8
162.08521	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	161.0819
Annotation	beta-Cymaropyranose
Peak:m/z	Relative Intensity
52.41779	0.7
53.69108	0.7
54.94289	0.8
57.03460	14.8
57.29692	0.7
59.01153	0.9
59.01386	17.0
61.17978	0.8
71.01379	15.1
71.05020	39.7
73.02941	5.5
81.03456	1.0
83.01365	1.1
85.02949	13.2
87.00832	1.1
87.04509	15.1
88.04839	0.9
89.02453	1.3
97.02962	1.0
99.04519	98.1
100.04850	4.2
101.02435	17.9
115.04018	37.3
115.07642	8.3
116.04368	1.4
117.05576	43.3
129.01903	1.3
131.03497	2.1
143.03455	4.8
161.04575	10.0
161.08191	100.0
162.08537	3.9
181.80655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.04
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
55.46722	0.2
56.46435	0.2
59.01369	0.2
89.61478	0.2
92.05033	1.3
93.03434	0.9
105.40295	0.2
119.05017	100.0
120.04534	2.3
120.05360	5.0
136.03969	0.2
163.04010	7.6
164.04427	0.3
175.86934	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	Phenylpyruvic acid
Peak:m/z	Relative Intensity
52.32314	0.7
54.89162	0.7
64.34212	0.9
71.10192	0.7
73.13371	0.7
74.22618	0.8
74.25854	0.7
84.22355	0.8
89.59656	0.8
91.05531	100.0
92.05853	5.0
117.10770	0.9
119.04997	4.0
135.04539	6.1
147.04478	1.0
163.03951	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
56.73855	0.2
58.67110	0.2
65.60439	0.2
85.50188	0.2
91.05516	0.3
92.05070	3.0
93.03447	1.1
114.99065	0.2
117.38663	0.2
119.05022	100.0
120.04537	5.3
120.05373	5.1
121.56104	0.2
136.04021	0.4
163.04008	7.9
164.04462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49273	17.2
63.46169	14.8
80.53468	18.8
87.84992	18.2
94.24052	22.7
119.04993	77.6
163.11304	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	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
52.37241	0.6
72.00905	34.7
88.76594	0.8
91.05508	3.4
98.89268	0.9
110.69405	1.0
121.03004	1.2
124.27615	0.8
147.04527	100.0
148.04868	4.9
164.07172	49.5
164.08563	1.4
165.07512	4.6
167.63702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
59.01386	0.9
66.20999	0.5
67.73932	0.6
72.28200	0.6
73.41005	0.6
84.62819	0.6
93.03442	1.1
121.02950	100.0
122.03278	6.8
164.83664	1.1
165.01950	8.9
169.45442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0402
Annotation	L-Lyxonate
Peak:m/z	Relative Intensity
51.33523	0.6
52.75031	0.5
55.01870	3.3
57.03447	0.9
59.01387	7.0
59.35983	0.5
71.01374	5.3
72.99305	5.6
75.00866	100.0
76.01198	1.0
77.67748	0.6
85.02934	1.0
87.00858	3.0
89.02426	1.6
92.95875	0.7
96.91770	0.6
99.00867	0.6
101.02417	1.1
117.01917	0.8
129.01938	14.5
147.02959	3.5
158.94373	0.7
165.04037	38.2
166.04227	0.8
179.67419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0557
Annotation	3-(3-Hydroxyphenyl)propanoic acid
Peak:m/z	Relative Intensity
59.01382	15.1
62.31233	0.9
66.05612	1.0
72.98931	1.6
72.99313	34.7
77.03956	2.5
79.95729	6.9
83.13891	1.0
85.97742	0.9
93.03461	8.9
93.26097	1.2
101.03994	1.6
119.05029	41.3
120.05325	2.1
121.02958	56.3
121.04855	5.5
121.05673	2.4
121.06596	7.3
122.03272	4.7
138.41757	1.1
147.04533	100.0
148.04852	5.5
150.03174	1.4
164.89667	1.1
165.01918	3.9
165.04163	2.0
165.05592	60.5
166.05965	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	166.0511
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
50.27861	0.7
55.12489	0.8
59.01387	3.8
61.56736	0.9
62.02683	0.9
66.03501	2.4
75.00855	2.1
80.05047	1.5
80.86401	1.0
90.83825	0.9
91.01893	4.4
92.05061	100.0
92.65488	1.1
93.03474	0.9
93.05408	4.2
94.02979	1.4
95.01390	1.2
96.00937	2.4
96.04548	1.3
97.04062	1.9
108.02182	30.6
108.04575	1.4
111.00896	1.1
115.47984	1.0
117.14564	1.1
120.04529	1.2
121.02913	1.5
122.03271	5.0
122.06124	4.0
123.00924	1.4
123.04535	15.1
124.04059	1.9
125.02411	1.4
136.04041	95.2
137.04407	3.5
138.05525	1.2
146.97495	1.1
152.01157	59.0
166.05128	21.7
167.03529	21.5
167.06139	6.5
184.36922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.035
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
52.34761	0.3
57.03458	1.6
59.01385	3.5
63.02420	0.4
65.00328	2.1
66.64603	0.3
67.01904	0.8
69.48347	0.3
74.17735	0.3
76.57352	0.3
80.02695	0.5
81.03457	23.1
82.03776	0.4
83.01389	7.7
95.01410	0.7
95.05020	2.7
107.01387	2.0
108.02184	4.3
123.04518	100.0
124.04847	3.9
125.02435	6.8
139.14330	0.4
140.05859	0.4
151.00345	4.6
152.01161	6.1
167.03503	84.0
168.03850	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	167.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63325	1.3
61.98846	16.4
69.03471	2.3
75.21433	1.2
80.05050	1.6
82.95415	28.6
91.01869	6.1
92.12411	5.2
95.01366	6.0
97.02955	2.5
98.83049	1.5
99.08107	1.9
108.02177	56.9
108.04556	6.7
121.02966	1.7
123.00860	8.4
123.04514	27.2
123.05598	2.7
123.08119	1.8
132.86766	3.5
140.02548	8.3
141.02069	5.7
150.05650	1.5
152.01160	100.0
153.01459	6.0
154.71135	1.5
167.03528	57.5
167.06136	10.1
167.10774	30.6
168.03168	7.7
168.06644	1.5
170.48859	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	168.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88998	0.3
53.48272	0.2
59.01366	1.6
65.99854	0.7
71.01386	0.4
73.90781	0.3
83.02512	5.5
83.05055	0.3
85.25852	0.2
97.02904	0.5
99.04489	0.7
108.04572	0.5
125.02487	0.4
125.06014	0.5
126.03084	100.0
127.02642	0.3
127.03467	2.6
132.86815	1.1
145.72446	0.3
168.04192	2.8
168.06610	0.5
169.01382	0.6
173.39400	0.3
174.78528	0.3
177.09860	0.3
177.15730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71956	1.3
58.02982	100.0
62.10423	1.5
70.42375	1.5
108.04511	2.2
153.01492	1.8
168.13925	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	170.046
Annotation	Cetoniacytone B
Peak:m/z	Relative Intensity
57.68081	0.6
59.01377	4.1
63.38029	0.6
66.03474	0.7
69.03452	2.4
70.02983	0.5
78.95897	3.3
83.01357	1.0
83.05018	4.9
84.04526	3.2
88.89783	0.6
94.02994	6.3
96.00857	0.8
96.04569	0.9
97.01639	1.0
97.02931	4.5
97.13818	0.6
98.02539	0.8
99.04498	1.5
100.26297	0.6
109.02938	0.8
110.02476	10.9
111.00862	6.4
112.04028	8.3
122.02473	7.5
124.04047	4.4
125.01188	36.5
127.04016	2.4
127.05093	0.6
127.07658	1.4
128.03525	3.9
134.04739	1.3
136.26369	0.7
138.01970	15.3
139.00391	0.9
139.02753	10.1
140.03540	100.0
141.03882	3.7
152.03569	2.7
160.30585	0.6
168.02975	1.2
170.04602	64.6
170.08258	1.2
171.03119	4.6
171.04890	3.1
171.06668	1.1
171.10234	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	171.0665
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
51.08827	0.8
55.61649	0.7
56.03857	0.8
56.30520	0.9
58.02966	1.2
59.01381	1.7
83.05047	1.1
87.04518	1.2
99.04539	1.3
109.06593	10.6
111.00928	1.9
125.09719	1.2
127.07658	53.9
127.11236	1.7
128.07983	1.8
128.10831	2.6
130.08742	100.0
144.04546	4.2
153.05635	2.1
171.06654	58.9
171.10278	26.3
172.09756	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	171.0662
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
52.25871	0.6
58.57165	0.8
58.63498	0.7
65.06883	0.6
92.12316	1.5
127.07636	100.0
128.07945	3.9
171.06625	10.0
171.10347	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1026
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
54.60282	1.6
61.26597	1.5
68.21031	1.5
71.05022	43.5
74.29136	1.3
83.05029	4.1
99.08139	4.1
125.09718	8.3
127.07626	3.1
127.11281	100.0
128.11606	7.3
153.09259	20.1
171.10274	99.8
172.10603	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	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01868	2.0
57.03459	8.3
59.01364	1.2
69.03434	1.2
71.05022	29.0
83.05016	4.7
96.47083	1.0
97.06567	2.0
99.00876	2.2
99.01692	1.1
99.08154	100.0
100.08498	4.5
112.72684	0.9
123.08019	0.9
125.09715	36.1
125.77277	1.1
126.09991	1.5
126.99606	1.7
127.07619	2.1
127.11285	66.1
128.11620	2.4
153.09210	11.6
171.02023	1.3
171.10268	60.2
172.10635	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	172.0979
Annotation	N-Acetyl-L-isoleucine
Peak:m/z	Relative Intensity
57.03451	2.5
58.02995	4.4
59.01385	1.9
67.01890	2.0
71.01388	0.8
73.02934	0.5
85.02953	69.2
86.06128	0.7
92.12394	0.5
93.03453	2.1
96.04624	0.4
99.00894	0.8
100.07680	3.2
111.00879	24.1
111.04511	4.3
112.98833	1.5
128.07170	4.0
128.10803	5.7
129.01945	11.6
129.05629	0.7
130.08731	100.0
131.08253	4.0
131.09088	3.6
155.03529	0.9
156.35379	0.4
172.06158	4.4
172.09798	16.7
173.00931	0.9
173.04601	0.8
173.08138	5.1
173.09293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.082
Annotation	Suberic acid
Peak:m/z	Relative Intensity
51.10100	0.5
53.31520	0.4
57.03189	0.8
57.03456	19.6
58.03008	0.6
59.01376	3.0
66.54022	0.5
71.05010	0.9
77.88694	0.6
81.03440	0.8
83.05025	1.4
84.02142	0.7
85.02950	31.1
86.03304	0.7
93.03500	0.9
99.00861	3.8
99.04526	1.0
109.06570	0.7
111.00887	13.9
111.04510	2.4
111.08163	7.8
112.88019	0.6
113.02454	1.1
125.06062	3.9
127.07643	7.7
129.01912	4.3
129.05505	1.3
129.09239	6.0
130.06665	0.6
130.08713	0.9
131.08250	21.0
131.09085	1.7
146.74889	0.6
155.07117	4.2
171.06575	1.2
173.00693	0.7
173.08183	100.0
174.08601	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	173.1183
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
50.67988	0.5
54.02137	0.5
56.99027	0.6
57.03461	0.9
59.01380	3.3
65.79930	0.6
71.01378	0.7
83.05027	1.2
85.02957	8.8
91.81428	0.7
111.00880	3.6
111.08128	6.9
123.53249	0.7
125.09667	4.4
127.11282	100.0
128.11629	6.5
129.01924	1.1
129.09270	0.7
130.06581	2.7
146.25163	0.6
155.10742	2.5
156.15335	0.6
173.08212	5.0
173.11827	69.7
174.12125	5.2
189.82401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.27617	0.7
59.01377	3.9
85.06586	41.1
86.06911	1.6
87.80680	0.6
92.86988	0.7
113.06088	39.5
115.04007	100.0
116.04352	3.7
129.05598	1.1
131.07143	7.0
157.05074	8.9
175.06122	57.1
176.06451	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	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
50.22486	0.4
53.67239	0.4
54.91008	0.4
57.03458	0.5
59.01389	7.5
69.03451	0.6
71.01416	0.4
71.05023	1.2
72.00912	0.7
72.99305	4.4
76.71480	0.4
85.02965	1.1
85.06597	42.0
86.06934	1.1
87.04517	2.1
89.03589	2.2
92.65797	0.6
102.05585	0.9
108.25853	0.4
113.06089	42.5
114.06422	2.6
115.04008	100.0
116.04353	5.0
128.03540	1.0
129.05554	1.0
131.07133	6.1
132.04170	0.8
157.05054	10.2
175.06120	47.4
176.06389	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	175.061
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
53.82560	0.5
58.76467	0.6
59.01382	5.0
71.05001	0.7
75.95321	0.6
76.80293	0.7
79.65932	0.5
85.06583	45.5
87.04487	2.7
90.05720	0.6
101.35712	0.6
108.51740	0.8
113.06083	40.5
114.06419	1.4
115.04003	100.0
116.04320	1.5
129.05563	1.3
131.07132	8.0
157.05046	8.8
160.58067	0.7
175.06110	53.7
176.06473	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	176.0565
Annotation	(4S,5R)-4,5,6-Trihydroxy-2-iminohexanoate
Peak:m/z	Relative Intensity
52.30349	0.8
54.39603	0.8
54.82134	1.1
56.69127	0.9
59.01397	3.7
60.50642	0.9
63.16333	0.9
66.06596	1.0
72.00902	1.4
73.02960	1.3
86.52714	1.0
89.03552	1.5
96.04549	1.4
98.02495	1.2
100.04035	5.9
102.05611	100.0
103.05907	1.6
114.05605	8.9
128.03540	81.9
129.03822	1.7
132.06654	8.3
146.04608	81.0
147.04964	4.3
158.04588	23.5
159.02992	1.8
176.05655	57.8
177.04103	1.9
177.05879	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	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52097	0.3
59.01382	6.5
71.01379	3.5
76.57560	0.4
77.58942	0.4
79.15947	0.4
89.02416	2.5
96.96004	0.8
101.02450	0.5
104.28145	0.4
114.01223	0.4
118.51872	0.4
134.96088	5.8
135.96062	0.5
136.93996	100.0
137.94083	8.8
149.96500	0.4
151.92699	14.2
152.92752	0.6
154.95068	0.4
178.95059	38.7
179.95151	4.5
196.96165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Aspirin
Peak:m/z	Relative Intensity
58.00599	1.0
59.01389	29.5
60.01705	0.6
68.93043	0.4
71.01385	22.7
72.01740	0.5
72.99313	0.6
74.25983	0.4
83.01383	0.7
85.02952	1.8
87.00862	2.1
89.02441	11.1
91.05534	28.1
92.05864	1.1
101.02427	3.9
113.02427	1.1
117.94037	0.5
135.04523	100.0
136.04852	5.2
161.04556	0.6
179.03503	9.9
179.05714	0.9
195.13667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0665
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
50.91510	1.0
59.01374	2.2
72.00527	1.6
72.00903	31.4
74.02459	3.1
93.02904	2.3
93.03449	56.4
103.49149	1.4
106.04247	4.8
107.05018	1.2
119.05009	77.8
120.05390	1.5
134.06090	1.7
136.07628	1.6
137.02451	2.6
137.36525	1.1
137.78027	1.2
139.75349	1.2
162.05559	1.3
163.04002	87.2
164.04369	5.6
180.06653	100.0
181.01387	8.3
181.07037	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	182.046
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
52.63298	0.2
53.01954	0.2
56.27323	0.2
67.26556	0.2
69.03471	0.2
70.10843	0.2
77.07298	0.2
83.05044	1.4
92.05056	5.3
94.02979	1.4
94.03778	0.5
107.03838	0.3
108.04554	63.9
109.04900	2.4
110.06124	0.6
111.04531	0.9
120.04544	6.4
122.02476	1.3
123.03255	1.0
127.20922	0.2
135.03284	0.3
135.11104	0.2
136.04056	1.0
138.05606	100.0
139.05952	5.2
152.03635	0.3
182.04594	22.6
183.04933	1.1
184.27209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22786	0.7
59.01388	87.5
60.01709	0.9
63.90971	0.8
72.72455	0.7
72.77979	0.8
92.11736	1.7
97.06547	1.0
115.02489	3.2
117.00439	10.1
125.09703	14.5
127.87082	0.9
142.89372	7.0
144.99947	1.5
159.01495	100.0
159.54921	1.0
160.01608	8.6
187.00989	10.6
187.09727	5.9
200.87120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0249
Annotation	(E)-2-(Methoxycarbonylmethyl)butenedioate
Peak:m/z	Relative Intensity
50.53928	0.4
54.82894	0.4
58.00586	0.9
59.01389	56.1
62.36132	0.6
64.34663	0.5
67.01899	16.0
71.05056	0.4
73.02949	6.2
73.44185	0.5
81.03460	2.1
83.05021	2.7
85.02946	0.7
97.06577	2.0
99.04526	13.5
102.05602	0.7
109.24812	0.4
111.00880	100.0
112.01205	3.0
115.04021	2.1
125.02425	2.6
125.06084	5.6
127.04023	0.9
130.25389	0.5
136.02545	0.5
143.03497	10.0
143.07133	15.2
146.09534	0.5
187.06137	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	187.0248
Annotation	(E)-2-(Methoxycarbonylmethyl)butenedioate
Peak:m/z	Relative Intensity
53.24504	0.4
58.00601	0.9
67.01902	16.8
73.02950	23.3
74.03291	0.5
74.80092	0.4
74.86348	0.4
79.67349	0.5
81.03465	0.9
83.01379	1.2
85.02962	0.5
99.04507	9.0
111.00877	100.0
112.01205	1.9
115.03959	0.8
117.70039	0.5
121.62495	0.5
143.03502	16.4
143.11916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0612
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
55.04899	0.4
58.00611	2.0
58.02991	0.6
59.01387	100.0
60.01733	0.6
61.19897	0.5
67.01894	13.6
67.02245	0.7
71.05007	1.8
73.02954	2.9
76.96536	0.5
81.03471	2.1
83.01419	0.5
83.05048	5.3
91.70055	0.5
97.06591	3.7
99.04517	10.5
102.05634	3.1
111.00878	85.1
112.01251	2.6
115.04021	4.1
116.03542	0.8
125.02440	5.3
125.06061	9.1
125.09691	0.6
127.03999	1.0
143.03537	7.5
143.04620	0.8
143.07138	33.3
144.07552	0.8
169.05164	0.6
187.06100	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	188.0353
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
59.01390	1.4
59.01627	0.2
61.98847	0.2
65.99799	0.2
87.00877	0.3
88.73158	0.2
94.08611	0.2
99.00893	0.2
99.04541	0.2
102.03477	0.5
103.92002	0.2
111.00839	0.3
116.05020	0.3
118.79295	0.2
120.92320	0.2
123.94643	0.4
126.10056	0.3
129.05585	0.5
139.00386	0.3
141.86795	0.9
144.04546	100.0
145.04901	6.5
159.87886	0.8
188.03546	3.2
188.09990	0.2
189.03941	0.3
189.07710	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03458	7.7
59.01376	2.6
67.01884	3.4
75.85297	0.6
85.02953	32.9
86.03328	0.9
87.00874	53.7
88.01221	0.9
92.12433	0.7
100.52929	0.5
111.00877	100.0
112.01203	4.8
120.34000	0.6
129.01900	4.9
165.73647	0.7
173.00912	1.2
179.72929	0.6
191.02022	13.4
201.07401	0.6
205.53398	0.8
211.40338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
52.26040	0.3
54.39785	0.3
57.03456	6.9
59.01381	0.9
64.68594	0.4
67.01891	2.6
68.79770	0.4
72.11607	0.4
85.02956	31.9
85.96891	0.4
87.00878	51.3
88.01188	0.6
111.00877	100.0
112.01196	3.3
129.01920	5.6
130.99837	0.8
154.99896	0.8
173.00916	2.2
173.68463	0.4
191.01979	12.6
192.02361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0196
Annotation	Citric acid
Peak:m/z	Relative Intensity
50.15268	0.4
53.27827	0.5
54.99077	0.5
57.03451	7.1
59.01369	0.8
67.01888	3.2
85.02943	31.1
86.03260	0.7
87.00866	54.8
88.01203	0.8
92.12404	1.8
111.00872	100.0
112.01223	3.2
128.09900	0.5
129.01930	5.1
140.58237	0.5
154.99983	0.6
173.00940	2.1
183.45900	0.5
191.01991	13.5
192.02287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03454	8.5
58.04664	0.6
67.01887	5.2
77.02786	0.7
85.02948	30.5
87.00867	57.9
88.01236	0.9
111.00873	100.0
112.01215	2.7
129.01883	6.6
173.00859	1.5
191.01959	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	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
51.02316	0.6
54.82467	0.6
57.03456	8.1
57.91333	0.7
59.01387	9.2
59.73228	0.7
60.83297	0.8
67.01890	3.9
68.27094	0.6
69.31888	0.6
73.02957	1.0
73.22578	0.7
77.95290	0.8
83.54739	0.7
85.02955	33.9
85.57876	0.8
86.03299	1.1
87.00872	53.0
111.00882	100.0
112.01186	1.3
112.47182	0.8
129.01909	6.3
154.46315	0.7
173.00929	2.8
175.97520	0.8
191.02008	15.1
191.10805	7.3
192.03239	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	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
56.52868	0.4
57.03218	0.7
57.03457	8.3
59.01378	3.0
63.36227	0.5
67.01887	2.9
72.99307	1.2
73.02927	0.9
76.58178	0.6
85.02948	32.8
86.03321	0.6
87.00873	50.8
88.01192	0.6
111.00884	100.0
112.01243	3.8
129.01921	5.3
130.99829	0.6
154.99959	0.9
173.00935	2.7
191.01988	12.7
191.03606	0.9
192.03111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03463	6.4
57.27076	0.5
59.01398	4.6
64.64991	0.5
67.01900	4.4
73.02950	0.8
85.02959	31.9
87.00880	58.3
88.01208	0.7
110.65760	0.6
111.00880	100.0
112.01227	2.7
129.01955	5.6
130.76372	0.6
151.57806	0.7
154.99989	0.8
173.00935	2.5
184.97897	0.6
191.02010	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	191.0351
Annotation	Anemonin
Peak:m/z	Relative Intensity
54.82858	0.3
56.42561	0.3
57.03461	0.7
59.01391	5.6
67.01876	0.3
71.32695	0.3
73.02953	0.6
74.38673	0.3
75.25808	0.3
85.02960	6.3
87.00888	9.5
92.12405	1.1
111.00879	18.9
112.01285	0.3
118.99335	0.4
119.05019	2.0
121.02953	100.0
122.03288	3.3
129.01947	1.2
129.45834	0.3
142.10007	0.3
147.04536	7.0
173.00941	0.6
177.10449	0.3
191.01976	2.8
191.03546	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	194.0459
Annotation	2-Carboxy-2,3-dihydro-5,6-dihydroxyindole
Peak:m/z	Relative Intensity
59.01378	1.0
66.03458	0.2
71.01381	0.3
72.23057	0.2
73.02934	0.3
80.05033	0.3
85.02966	0.2
99.67554	0.2
106.06622	100.0
106.79496	0.2
107.06944	2.9
116.46647	0.2
150.05609	23.7
151.05836	0.7
186.12386	0.3
194.04579	4.5
194.07668	0.2
195.05048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0511
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
57.03461	5.5
58.00596	0.7
59.01389	26.5
59.01686	1.1
63.88891	0.5
64.34481	0.6
68.62843	0.5
71.01386	12.5
72.99303	8.2
75.00877	100.0
76.01218	0.8
78.95915	1.2
83.01399	0.6
85.02956	8.3
85.84891	0.6
87.00882	11.5
89.02456	10.9
89.09515	0.5
96.96011	12.8
96.96941	2.7
99.00876	8.4
101.02415	2.4
105.01937	0.7
111.00869	3.1
129.01933	22.4
130.02234	0.7
131.03459	0.6
131.17659	0.5
139.92007	0.6
141.01878	3.0
141.40056	0.6
153.20409	0.6
159.02985	8.3
171.94846	0.6
177.04002	7.3
178.92860	0.7
195.05098	76.6
196.05453	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	195.0663
Annotation	2,3-Dihydroxy-p-cumate
Peak:m/z	Relative Intensity
57.03457	1.6
58.83044	0.8
59.01388	15.0
65.00330	1.7
71.53820	1.0
75.00872	4.4
78.19389	1.0
81.03464	23.4
83.01381	1.8
85.06606	1.3
85.60294	0.9
87.04520	2.4
107.01376	1.7
109.06610	12.1
111.04514	17.9
116.57869	1.0
122.03738	8.1
123.04582	1.4
123.05531	1.1
125.02410	9.9
129.01900	1.1
133.06573	1.2
135.06612	1.2
151.00410	1.5
151.07648	100.0
152.07999	1.3
177.05653	1.8
195.05161	4.4
195.06636	99.7
196.06996	6.8
213.03651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0662
Annotation	ACETOSYRINGONE
Peak:m/z	Relative Intensity
50.66176	0.4
50.91750	0.4
51.27703	0.3
54.82566	0.4
58.71724	0.3
59.01372	3.2
60.01711	0.3
67.01876	0.9
70.41000	0.4
75.15745	0.4
81.99431	0.4
93.03442	1.0
109.02930	3.7
137.02440	28.1
151.03992	0.9
159.21539	0.5
165.01929	100.0
166.02255	3.7
166.54300	0.4
179.03447	0.7
180.04289	92.9
181.04626	4.0
182.97162	0.5
195.04887	0.9
195.06624	17.5
196.07013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01389	4.8
59.16738	0.5
66.03490	0.8
75.00858	3.1
80.02661	4.5
81.03442	2.9
88.64792	0.6
95.05022	74.2
96.05349	2.6
104.03724	0.6
108.02151	0.9
109.03035	0.6
110.09854	0.5
114.20895	0.6
120.05809	0.7
124.01678	0.6
129.01949	0.7
135.04536	1.3
135.08159	57.7
136.08470	0.8
137.02467	0.7
149.09711	4.9
151.11285	100.0
152.11603	4.6
165.02007	1.3
177.09229	3.1
180.04323	1.3
195.05122	1.3
195.10275	39.9
196.10622	3.8
207.06206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0446
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
52.56851	3.0
53.96187	2.9
54.17497	3.0
95.01384	19.9
106.84516	3.6
121.02953	26.1
123.00874	100.0
138.03223	19.8
147.96002	3.6
153.05542	15.5
153.09218	5.7
166.99831	63.1
182.02211	95.3
192.60173	3.7
197.04573	23.7
197.11833	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	197.0609
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
50.42299	0.8
50.43071	0.7
60.24244	0.9
61.98847	1.4
67.01908	1.1
69.03431	1.1
95.01378	19.8
95.55794	0.9
97.02943	1.8
106.00608	1.3
121.02967	16.6
123.00877	74.6
124.01212	1.2
125.02430	1.7
131.61673	1.0
138.03215	16.4
138.38939	0.9
153.05577	11.2
166.99861	54.0
182.02209	100.0
183.02545	5.5
197.04527	24.8
197.06122	57.4
197.11909	1.8
198.06424	5.2
203.24106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0772
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
57.03435	0.9
59.01395	2.6
61.42735	0.6
61.98834	1.4
69.03446	1.8
71.01379	1.7
71.05025	5.6
73.02940	1.3
77.92429	0.6
78.27708	0.7
83.05035	0.8
85.02949	1.7
89.25428	0.6
92.11727	0.9
93.79777	0.7
95.65074	0.8
97.02921	0.7
99.04513	1.6
102.06710	0.7
110.02454	3.1
111.08192	0.9
113.02470	8.8
116.92846	3.1
119.80492	0.7
124.01201	1.2
125.02420	1.5
127.04002	5.8
136.07645	1.2
138.05623	1.2
156.89502	3.1
160.84174	1.0
162.83914	3.8
168.00247	1.1
172.64697	0.8
183.02524	1.4
197.80905	1.2
198.07724	100.0
199.08121	5.4
199.09662	0.7
207.48915	0.7
213.60762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.0
57.03447	1.5
59.01379	2.8
59.13081	0.6
63.62397	0.8
66.03458	0.6
67.01886	7.8
67.59486	0.7
69.03445	3.2
71.01371	1.3
71.05022	8.7
73.02948	3.0
81.03489	0.7
82.02982	18.9
82.03438	1.2
83.05019	1.2
85.02962	3.2
92.05112	0.8
92.65981	0.8
95.05029	1.0
97.02972	1.3
98.02457	1.0
99.04516	1.1
108.04547	3.9
109.02954	1.1
110.00694	9.0
111.00867	6.7
112.04048	1.2
113.02438	10.1
120.46387	0.8
122.03337	0.8
122.06095	4.3
124.01229	3.5
124.04047	15.8
124.07671	100.0
125.02461	1.2
125.08020	3.1
127.04020	5.1
134.06111	0.8
136.02260	4.5
136.03996	1.2
136.07675	53.3
137.08023	0.8
139.19453	0.7
154.03360	6.7
154.05081	11.1
154.07094	1.1
154.08733	1.7
154.99854	1.4
156.89505	2.7
168.00215	1.0
168.06662	9.9
178.29831	0.7
180.06667	55.1
181.07022	0.8
183.02570	4.7
198.04124	3.6
198.07762	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	198.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	13.4
57.48791	1.1
59.01383	6.6
59.69641	1.2
66.03495	1.9
71.01378	1.8
71.05004	2.9
78.49965	1.2
80.05093	1.8
81.02207	52.8
82.06634	13.5
85.02938	1.6
91.69032	1.5
92.03478	1.4
95.05016	1.6
96.00917	69.8
97.39732	1.3
103.32877	1.3
108.08165	1.9
111.08176	2.6
112.07692	1.6
113.02453	7.4
122.03242	2.0
123.00960	2.3
124.01228	8.2
124.19485	1.3
127.03995	1.7
138.09250	100.0
153.95642	1.4
166.08742	56.3
167.09120	2.4
168.00177	3.4
170.11893	7.9
183.02542	12.4
184.09747	18.1
198.04961	2.0
198.11436	8.4
199.06157	1.9
214.72844	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	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.99771	0.5
52.81424	0.5
68.81435	0.5
71.05027	0.5
73.02937	3.3
113.02432	0.8
127.04025	0.5
135.08162	1.2
137.09715	7.1
155.10774	100.0
156.11139	4.0
163.50949	0.5
199.09749	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	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
59.01384	0.3
59.21241	0.3
67.61757	0.3
71.05009	2.1
73.02935	3.4
74.15319	0.3
78.03494	0.5
85.02933	0.7
103.97541	0.4
113.02445	1.4
115.91658	0.3
125.02460	0.4
127.04029	0.6
131.63057	0.3
135.08115	2.0
137.09723	9.1
140.03468	0.3
155.10777	100.0
156.11107	4.9
167.00119	0.4
199.09776	6.4
199.13414	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	200.9866
Annotation	4-Sulfobenzoate
Peak:m/z	Relative Intensity
59.01388	11.8
59.01692	0.4
60.33473	0.2
61.60783	0.2
61.87036	0.2
70.27270	0.2
71.01367	0.3
77.16350	0.2
80.96491	0.3
85.02946	0.2
87.00877	0.2
88.98799	0.2
91.48782	0.2
93.03430	0.4
96.00905	1.5
97.01228	0.3
99.52815	0.2
99.92570	1.2
108.02200	0.2
110.96978	0.2
115.34586	0.2
116.93954	0.2
121.02949	100.0
122.03291	3.8
134.18652	0.2
139.07625	0.2
139.11305	0.3
141.86786	0.3
141.93684	0.8
158.89340	0.3
159.01476	0.3
159.88033	0.2
159.89420	0.9
200.98657	6.4
201.02536	1.3
201.07791	0.4
201.11346	0.8
208.71791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48277	0.5
54.28059	0.6
58.88229	0.6
59.01388	100.0
60.01714	1.3
71.05932	0.7
73.97825	0.7
74.29753	0.7
81.23192	0.8
91.30537	0.8
94.45656	0.7
126.60703	0.8
151.11801	0.8
157.03574	5.3
159.01532	5.2
201.02609	14.2
202.02681	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	201.1135
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
53.12191	0.5
53.19376	0.5
57.03448	0.7
57.47125	0.6
59.01393	8.2
59.68151	0.6
73.02953	2.4
82.36248	0.6
83.05041	0.7
85.02956	2.9
85.06569	4.6
88.31306	0.5
93.30734	0.6
97.06568	5.2
99.04530	2.7
99.08131	1.0
102.19186	0.6
109.06603	5.4
109.75224	0.5
111.08146	3.2
117.44604	0.6
125.93694	0.7
127.07653	0.7
137.09706	3.8
139.11288	75.2
140.11664	2.5
153.09146	0.7
155.14018	0.6
157.12338	3.7
183.10280	2.8
192.25734	0.6
201.11343	100.0
202.11639	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	201.9577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65197	0.3
59.01385	82.2
60.01723	1.8
60.84238	0.4
61.98827	0.5
66.95333	0.4
80.00912	0.4
89.03378	0.4
99.22179	0.5
99.92577	100.0
100.92603	5.2
103.92007	0.9
115.92063	1.9
116.92844	9.3
117.92869	0.7
121.11160	0.5
121.92272	0.4
127.87032	0.5
130.94365	0.7
131.64017	0.5
141.86810	33.3
141.93634	84.2
142.13928	0.5
142.93620	6.1
148.95399	0.6
158.06186	1.5
159.87888	23.5
159.89349	3.0
160.89265	2.0
160.97659	0.6
164.83603	0.7
174.99243	0.5
201.80190	0.5
201.87770	0.5
201.95767	6.3
202.94109	0.6
202.95836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.9577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	97.1
60.01723	1.1
80.09880	0.5
99.92580	100.0
100.92587	6.5
100.93214	0.7
103.92020	2.8
104.97773	0.7
115.92083	2.1
116.92850	9.7
127.71221	0.5
130.94374	2.4
141.86821	36.2
141.93640	93.8
142.86826	0.7
142.93614	4.1
148.95454	3.1
158.06061	0.7
159.87894	29.2
159.89351	3.8
160.88000	0.8
160.89297	2.3
164.83607	1.2
166.83252	0.7
174.93369	0.9
174.99118	0.6
201.80191	0.7
201.95776	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.035
Annotation	1,4-Dihydroxy-2-naphthoate
Peak:m/z	Relative Intensity
50.07974	0.2
51.60848	0.2
55.01889	1.1
57.03462	1.1
59.01388	100.0
69.03441	0.3
71.01384	3.3
73.02951	1.3
79.95709	0.2
80.96520	0.6
85.02953	1.2
97.02950	0.3
99.04528	0.3
103.92033	0.4
104.97744	0.3
113.02455	2.4
116.05055	0.4
125.02435	1.2
130.94356	0.5
143.03546	0.6
147.04517	0.5
148.95438	0.5
158.03773	1.6
159.04518	68.5
160.04857	2.3
160.89334	0.4
171.48128	0.3
185.02425	0.4
190.02756	0.3
202.94177	0.4
203.03514	5.6
203.05650	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83600	0.5
54.82432	0.5
59.01144	0.6
59.01388	10.0
71.01396	6.2
72.76673	0.5
73.69823	0.6
85.04075	39.4
88.04038	59.5
96.39680	0.6
97.04067	100.0
98.03770	1.1
98.04397	1.4
98.05334	0.5
103.74450	0.6
125.07220	1.0
130.08699	1.3
131.02855	12.2
131.09109	1.1
139.13777	0.7
157.06186	45.3
158.06534	1.3
169.06181	30.9
170.06528	0.9
197.58838	0.6
203.04980	16.7
222.36386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34747	0.7
72.00899	17.2
74.02467	30.2
75.14088	0.8
116.05050	100.0
117.05371	1.0
130.06573	1.9
142.06622	27.3
144.33420	0.9
156.77945	0.8
157.07686	1.0
159.09258	15.1
176.47240	0.8
186.05597	4.3
203.08272	59.1
222.63246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55927	0.9
72.00901	16.5
74.02074	1.6
74.02468	33.9
79.66111	0.9
97.21180	1.0
101.40406	1.0
116.05057	100.0
117.05392	4.2
130.06584	4.7
137.19951	0.9
142.06616	32.5
143.06940	1.5
151.45416	1.1
159.09273	16.3
186.05577	4.7
203.08276	60.7
204.08548	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	204.0303
Annotation	6-Hydroxykynurenic acid
Peak:m/z	Relative Intensity
55.02152	0.2
59.01109	0.3
59.01387	6.4
61.67972	0.2
71.01373	0.3
72.99294	1.5
73.02911	0.3
81.03414	0.4
88.04001	0.3
90.03473	0.3
99.08119	0.4
111.00879	0.3
115.07629	4.1
118.02970	4.9
121.87717	0.2
123.04518	0.6
124.04842	1.8
125.02412	0.4
129.05560	1.4
130.08658	0.3
131.03749	2.6
132.04550	9.7
133.04890	0.3
143.07147	1.1
159.01900	0.5
159.03259	38.2
160.04042	100.0
161.04404	5.0
162.89308	1.2
175.02727	0.4
204.00531	0.4
204.00890	0.4
204.03056	5.7
204.08731	0.3
204.99770	0.2
205.03410	0.3
205.07169	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	205.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01379	4.6
71.01382	0.7
72.99300	44.3
73.02943	4.4
75.00855	2.5
75.95597	0.5
81.07072	4.4
82.73994	0.5
85.02949	2.0
85.06577	3.2
87.00852	0.8
88.04021	0.7
97.06574	1.2
99.00864	0.8
99.04502	3.4
99.08141	13.7
101.02440	3.4
101.06084	1.9
104.20352	0.5
111.00869	9.7
113.06073	5.0
114.95425	0.6
115.07632	100.0
116.07947	3.8
117.01891	0.5
125.02452	5.4
125.06046	2.3
128.14046	0.5
129.05565	56.5
130.05896	2.7
133.73065	0.5
143.03485	0.7
143.07124	33.7
144.07457	1.1
145.01414	2.1
159.06636	5.1
161.08226	1.0
182.01830	0.6
187.02507	0.8
187.06070	0.7
205.03616	2.5
205.07188	46.1
206.07497	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	206.0824
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
52.24619	0.9
58.02984	48.2
62.54629	0.9
70.02985	11.2
72.00912	7.8
83.53017	1.0
85.61738	1.0
88.01633	1.0
91.05540	18.9
132.60411	1.0
147.04518	45.8
154.63875	1.1
164.07188	100.0
165.07458	5.0
175.89101	1.0
180.21446	1.0
183.93098	1.0
206.08263	45.8
207.08539	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	209.0304
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
54.82544	0.6
55.01875	3.1
56.49601	0.6
56.73193	0.6
57.03193	1.2
57.03456	20.1
59.01112	1.2
59.01387	23.0
63.30627	0.7
68.99821	1.6
71.00986	1.1
71.01378	34.4
72.99304	9.2
73.02936	0.6
75.00864	8.4
83.01395	3.0
84.02139	2.8
85.02948	100.0
86.03278	3.8
87.00861	3.9
89.02441	14.1
92.84727	0.6
101.02448	1.2
103.00360	3.2
111.00877	4.7
115.00430	2.0
129.01903	9.9
133.01421	12.2
142.24150	0.7
147.02969	1.2
173.00836	1.7
191.01959	22.9
191.03654	0.8
192.02327	1.1
209.03029	30.1
210.03329	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0304
Annotation	L-glucaric acid
Peak:m/z	Relative Intensity
55.01887	2.0
57.03460	19.9
59.01103	1.2
59.01389	22.2
60.01711	0.7
61.98767	0.6
65.12803	0.7
68.99818	1.7
71.01382	37.4
72.99304	9.2
73.02951	1.0
73.89632	0.7
75.00879	8.3
77.21710	0.8
83.01385	4.3
84.02177	1.7
85.02950	100.0
86.03285	1.4
87.00893	1.8
89.02441	13.5
92.11654	0.7
93.03460	1.9
95.92760	0.7
99.00885	1.0
103.00368	1.3
104.30956	0.7
111.00888	5.0
115.00398	3.2
121.02935	0.8
129.01930	9.7
133.01433	12.5
141.84157	0.8
147.03043	5.9
173.00865	1.2
173.52583	1.0
191.02010	25.2
198.96837	0.8
209.03055	34.5
209.06668	1.8
226.18689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
56.45573	0.5
59.01373	2.9
61.98839	0.8
63.18726	0.6
68.35395	0.6
71.01385	0.6
85.02930	0.7
85.58748	0.8
89.02434	0.9
92.12447	1.9
101.29795	0.6
120.02189	0.8
121.02946	25.6
122.03323	1.1
124.04013	1.0
161.30565	0.6
188.07034	0.6
201.70587	0.7
209.04517	3.0
209.11848	100.0
210.12161	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	211.1341
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
50.27169	0.5
59.01382	7.4
60.99309	0.7
72.97314	0.5
81.03455	1.0
83.05047	1.0
85.89790	0.7
89.02435	1.0
97.06581	5.2
101.02466	0.8
103.06898	0.7
109.02921	0.9
110.35008	0.6
125.97646	0.5
127.39662	0.5
132.82181	0.6
139.25301	0.6
149.13365	1.2
151.06136	6.4
151.20213	0.5
165.12851	2.5
167.10762	2.1
167.14420	6.8
193.12343	7.3
209.11845	1.0
211.13419	100.0
212.13824	5.7
224.63307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.077
Annotation	GEIR-2
Peak:m/z	Relative Intensity
59.01392	26.2
62.86031	0.4
69.03478	0.8
71.01386	1.1
71.04939	0.4
76.31108	0.5
78.00123	0.5
78.95900	1.9
81.03445	0.6
87.00879	2.3
88.04057	0.5
96.96944	0.8
97.06506	0.6
98.02486	2.0
98.06127	3.5
99.00883	4.7
99.04500	1.0
107.05026	3.2
109.06590	100.0
110.06197	0.7
110.06928	2.5
114.05582	0.6
115.00332	1.0
115.03979	2.8
122.06136	0.6
141.02003	4.4
151.07619	0.7
153.05571	32.7
154.05930	0.8
169.08716	1.8
170.08212	1.9
190.29927	0.5
195.06619	1.0
213.07709	30.2
213.42955	0.4
214.07173	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
57.03456	4.1
57.03680	0.5
59.01369	0.8
59.10493	0.5
77.98820	0.4
83.04996	0.8
92.12392	2.0
111.08150	6.3
123.08157	55.0
124.08466	1.0
125.09747	3.8
137.09706	10.6
139.11288	71.4
140.11646	2.4
149.09723	0.6
151.11287	9.4
153.09164	0.8
167.10757	2.4
169.12376	5.9
180.26292	0.5
186.60181	0.5
213.11346	100.0
214.11708	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1134
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
51.77943	0.5
54.09379	0.5
57.03460	0.6
59.01401	0.8
61.68000	0.5
68.12041	0.6
81.91219	0.5
151.11281	12.0
154.65100	0.5
169.12337	100.0
170.12796	2.1
170.29662	0.7
175.03452	0.7
200.66246	0.7
213.11324	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	213.1499
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.41822	1.0
55.48263	1.1
66.84988	1.2
72.50822	1.2
125.83624	1.2
169.12328	2.4
183.13889	28.6
195.13933	24.7
213.14995	100.0
214.15372	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	215.0828
Annotation	6052-68-2
Peak:m/z	Relative Intensity
59.01376	3.6
65.61613	1.4
72.00906	19.1
77.58029	1.5
86.02476	77.6
87.03923	1.6
92.05048	92.4
93.05396	2.1
99.04497	2.1
110.89798	1.7
116.05045	100.0
126.98810	1.6
129.05859	3.2
130.06596	2.7
130.08713	24.3
142.06610	41.2
144.08206	13.6
153.09200	2.1
154.06573	13.8
156.06915	13.3
167.06172	3.0
169.07709	17.3
171.09259	92.3
172.09727	12.1
215.08208	59.4
216.08621	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	215.0927
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
54.82695	1.3
59.01384	7.7
69.63969	1.1
73.02947	65.8
79.05540	1.7
85.02945	1.9
95.05025	2.5
97.06583	5.2
101.94097	1.2
105.39608	1.1
118.38466	1.3
125.09713	8.4
127.11282	5.9
141.05594	17.6
143.10643	4.0
153.09229	8.0
171.10265	100.0
172.10509	2.2
193.94154	1.4
215.00893	1.4
215.09288	83.4
216.09641	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	216.0877
Annotation	CJ 15801
Peak:m/z	Relative Intensity
54.83530	1.0
58.02988	1.0
59.01389	2.1
64.35538	0.9
64.43582	0.8
71.01388	14.3
72.00909	1.3
72.04540	1.2
77.42702	0.8
83.41718	0.9
86.62550	1.0
88.04040	73.4
90.11093	0.9
96.99279	6.1
100.07682	100.0
101.06075	24.4
101.07985	1.5
114.01978	4.0
115.00363	19.5
116.07156	5.7
127.09726	0.9
128.10806	1.9
130.07808	1.7
130.08734	32.8
131.71678	1.1
154.08745	5.9
172.09810	41.2
198.07645	8.0
200.03520	1.0
216.08783	46.4
217.09158	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.7
56.19564	0.5
59.01372	3.2
67.63525	0.7
73.02944	32.1
83.01778	0.7
84.85373	0.7
90.92224	0.7
96.96005	11.0
97.06577	10.4
99.08124	1.7
102.05177	0.6
125.06075	19.0
143.07138	100.0
144.07495	3.4
148.04344	0.8
151.64317	0.8
155.10783	24.7
157.08702	2.9
181.03630	0.7
199.09766	4.6
209.35555	0.7
217.10832	34.2
218.11276	1.7
221.40883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36667	0.5
54.82744	0.7
59.01379	4.1
60.51890	0.6
64.61362	0.7
71.01375	12.0
71.05019	25.9
72.00913	0.7
74.02457	4.5
88.04031	100.0
88.75890	0.7
89.04363	0.9
90.34185	0.7
99.04524	8.1
116.03513	0.8
116.07162	5.0
129.05580	1.0
132.04533	10.4
144.04543	5.4
146.08226	58.4
147.08557	1.6
158.06131	1.0
175.08760	1.2
205.68988	0.7
216.13458	1.0
218.10341	33.1
219.07727	9.7
219.10585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93945	0.6
56.17870	0.7
59.01386	2.7
65.49740	0.6
71.01390	12.0
71.05025	29.4
72.00916	1.2
88.04043	100.0
89.04407	0.9
99.04501	8.9
101.15323	0.6
112.83947	0.6
116.07159	1.5
125.81984	0.6
129.05585	0.9
132.04558	4.8
146.08238	59.6
147.08521	1.0
196.94507	0.7
218.10361	33.3
218.12381	1.4
219.07823	1.0
232.11394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12928	0.7
59.01379	5.1
71.01384	1.0
71.05025	1.7
72.00912	4.8
74.02472	13.1
79.93390	0.8
81.45323	0.8
86.02474	25.5
88.04043	7.3
89.04356	1.7
92.05069	9.2
93.55529	0.7
102.17800	0.8
116.05095	0.9
118.02998	1.1
120.04514	1.4
128.05057	1.4
130.06613	8.8
131.03770	16.7
132.04549	53.1
140.04884	0.9
143.61401	0.8
144.04555	40.0
146.04871	4.2
146.08249	3.3
147.08580	3.2
157.07707	100.0
158.06136	11.7
158.08081	4.3
175.08665	0.8
184.04082	0.9
201.06726	3.0
202.05138	1.6
219.07768	28.6
219.09981	1.3
219.10756	1.1
220.08107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14087	0.2
58.74361	0.2
59.01370	1.7
59.01630	0.3
63.20022	0.2
66.15229	0.3
78.02961	0.3
78.73232	0.3
84.46449	0.3
85.02943	0.4
86.02452	0.4
88.04034	0.5
92.05048	1.8
116.05071	0.4
116.19669	0.4
120.04544	0.3
128.05048	0.5
130.06570	2.5
131.03740	1.6
132.04547	0.6
134.06097	0.5
141.04556	0.5
144.04543	1.7
146.04906	2.8
146.05836	0.3
154.78389	0.3
157.07712	100.0
158.08092	3.9
175.08812	2.3
201.06755	2.5
201.79625	0.3
219.07782	11.1
219.17577	0.4
220.08093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05453	0.2
59.01385	100.0
60.01720	1.1
61.98820	0.1
62.12569	0.2
66.81554	0.2
73.75798	0.2
85.90711	0.2
98.93310	0.2
196.78482	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0457
Annotation	Sphagnum acid
Peak:m/z	Relative Intensity
50.33640	0.4
55.01885	14.2
59.01387	100.0
59.71623	0.4
71.01379	1.3
73.02943	2.3
82.81699	0.6
83.01389	1.3
85.02937	6.6
89.02461	2.1
92.69138	0.5
97.02943	0.7
101.02437	2.2
115.05569	2.2
118.98457	0.5
131.03490	3.7
131.05014	10.2
133.06589	96.7
134.06935	1.2
159.04506	11.8
161.04552	12.5
177.05571	3.6
203.03520	3.0
221.04593	8.2
222.35808	0.5
225.78627	0.6
244.61995	0.6
244.87476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26350	1.7
53.57463	2.4
55.01876	2.8
56.25562	2.1
57.03458	16.3
59.01385	10.7
63.93397	1.8
71.01380	10.4
72.99306	43.2
75.00887	4.8
76.15166	2.3
79.68538	2.2
81.03446	21.2
82.53375	2.2
83.01405	2.8
85.02948	66.3
87.00881	2.8
89.08136	2.1
99.00874	19.6
101.02458	2.4
111.00898	13.9
113.02428	4.8
117.01968	2.7
125.02429	48.2
129.01938	84.4
132.42378	2.0
136.48393	2.1
142.65195	2.3
143.03438	4.2
145.13054	2.4
147.03024	31.5
180.79617	2.4
187.96059	2.5
205.03534	38.0
208.28712	2.3
223.04599	100.0
223.06685	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
59.01387	100.0
65.25789	0.6
97.06577	4.6
135.08156	0.9
147.08148	4.0
165.09161	1.2
185.40276	0.6
193.56691	0.6
225.11342	31.3
226.11624	1.4
236.28009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59531	0.6
59.01381	7.6
61.98817	0.8
71.01380	1.2
73.02959	1.0
77.36468	0.7
89.02417	0.8
93.03404	0.9
94.93617	1.7
97.02953	11.6
99.00864	2.7
102.28147	0.9
106.08703	0.7
109.06564	1.6
110.03727	4.9
123.04460	1.0
125.09706	1.4
135.08150	1.6
136.05301	1.6
137.09663	0.9
142.02724	9.4
152.26785	0.8
161.09647	1.0
163.11279	13.5
181.12349	41.3
182.12701	1.3
194.93475	0.7
197.11867	2.8
201.16670	0.7
207.10281	87.7
208.10619	4.8
225.11340	100.0
226.11655	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97065	0.6
56.40891	0.5
56.76714	0.6
59.01382	7.1
59.06647	0.5
60.86681	0.5
63.68158	0.5
66.33166	0.5
71.01372	0.7
73.02946	22.2
74.35609	0.6
89.02408	0.9
93.03467	0.6
95.05038	0.7
149.83008	0.7
157.65053	0.8
163.11293	10.1
181.12349	100.0
182.12692	2.9
207.10275	1.2
207.38290	0.7
225.11298	8.6
226.11520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.161
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
53.91071	0.9
54.37056	0.8
59.01395	8.5
59.01635	1.3
62.85661	0.7
71.01370	3.3
71.58643	0.9
80.05029	0.9
81.03462	15.3
83.05032	88.4
89.02437	2.0
96.96008	27.2
105.04501	0.8
108.04543	1.4
118.13274	0.9
125.07207	4.4
137.02440	1.6
143.08243	2.0
145.08720	8.8
173.33383	0.9
207.15039	11.2
225.04391	10.5
225.16104	100.0
226.16393	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	225.1861
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
50.70152	0.5
58.93651	0.6
59.01383	7.1
61.98822	4.3
64.72446	0.7
66.10941	0.8
68.72638	0.6
70.62432	0.6
71.01374	1.0
72.21555	0.6
73.76299	0.6
74.54425	0.6
86.35487	0.7
89.02437	0.9
126.09875	0.8
136.00232	0.8
138.15247	0.8
157.45540	0.6
175.30600	0.8
187.53137	0.7
192.45879	0.9
225.18629	100.0
226.18936	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	226.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38050	1.0
55.01876	5.6
57.03448	4.9
59.01378	2.5
61.13905	1.1
61.98827	2.3
69.03449	12.4
71.01377	2.4
72.00900	7.6
80.02654	1.5
81.03458	6.9
82.02969	11.4
83.01392	5.1
83.05022	100.0
84.05337	1.4
85.02947	4.8
90.28727	1.0
92.11716	2.5
93.03454	15.4
95.01374	2.2
95.05010	6.5
96.96011	1.8
97.02922	9.6
100.00388	11.8
102.24084	1.2
103.20230	1.0
108.00914	2.8
108.97584	1.1
111.04515	59.2
113.02444	22.9
121.02908	4.9
124.01651	2.9
125.99512	1.2
138.05533	1.6
139.03999	39.9
140.03476	2.6
149.49110	1.4
150.74149	1.2
154.42535	1.3
165.01843	1.9
182.04582	2.3
182.70680	1.1
183.02974	76.5
184.03336	1.8
194.49376	1.2
226.09186	1.9
228.58626	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1293
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
57.03450	1.0
58.73132	0.5
59.01386	8.0
60.99317	0.8
62.85798	0.6
63.91943	0.7
65.76692	0.7
66.91017	0.7
81.01746	1.3
81.02196	25.0
82.02945	0.9
95.05037	0.9
96.00912	14.1
96.53684	0.8
97.06580	1.7
109.01708	3.6
111.08152	1.7
124.07671	29.9
126.09295	1.0
147.11751	0.8
151.11281	1.1
152.07173	15.6
153.12842	4.7
156.10361	3.3
163.11301	2.9
165.12845	20.5
170.08217	15.1
177.66560	0.7
179.10780	1.1
183.10309	1.1
184.09778	15.4
196.06149	1.7
197.11821	4.8
209.11829	9.3
227.12915	100.0
227.20212	1.3
228.13293	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	227.129
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.76664	0.6
111.08152	1.0
165.12869	18.4
173.99773	0.8
183.13898	100.0
184.14281	3.5
221.87195	0.8
227.12904	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1292
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
56.26730	0.5
74.43781	0.6
75.00868	0.5
76.91528	0.5
85.50800	0.7
100.88793	0.6
141.62082	0.6
145.72566	0.6
165.12857	18.0
183.13902	100.0
184.14233	3.0
209.11835	1.5
227.12938	23.8
227.20113	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	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03446	1.7
58.89119	0.6
59.87158	0.6
77.81220	0.6
80.19166	0.6
81.03446	0.8
92.11710	1.2
97.06590	7.1
109.06605	0.7
126.16853	0.7
147.11774	1.5
149.09677	0.7
151.11266	1.5
153.12857	15.4
165.12854	10.2
166.13008	0.7
191.10835	1.0
197.11836	4.5
209.11853	10.1
212.16216	0.8
227.12915	100.0
228.13208	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	228.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01373	1.5
60.01628	0.5
64.33887	0.6
68.25811	0.6
80.05058	0.8
80.81201	0.6
81.02198	84.2
82.02978	2.4
88.93088	0.6
94.06588	1.0
95.05013	1.1
96.00908	49.7
96.08163	2.6
96.11217	0.5
97.06583	4.0
109.01686	13.2
115.52369	0.5
123.65714	0.5
124.07674	100.0
125.08014	2.4
126.09218	2.5
138.90352	0.6
152.07175	49.2
153.07558	1.0
154.08754	1.3
156.10312	10.0
165.12886	0.7
166.13202	2.3
170.08240	50.0
171.08530	1.3
184.09804	43.7
185.10176	2.9
187.39995	0.6
196.06180	8.0
210.12340	0.7
227.12885	3.5
228.13234	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	228.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48477	0.5
57.30724	0.6
59.01380	2.1
64.85419	0.5
65.13449	0.5
68.01959	0.4
71.31155	0.5
73.02954	0.7
79.27234	0.4
85.24128	0.4
87.00880	100.0
87.28704	0.6
92.71315	0.5
92.80377	0.5
102.94411	5.8
111.00922	2.1
111.01689	0.6
140.83359	0.6
142.97537	20.2
166.97528	8.7
168.95476	2.9
169.00052	0.9
184.98441	0.9
186.96533	3.3
189.06992	0.6
228.97626	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	230.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21749	0.6
58.08037	0.6
59.01381	1.5
70.02962	1.7
71.01387	11.3
80.39119	0.7
82.02969	4.8
88.04041	100.0
92.66154	0.8
96.99296	4.1
114.01983	5.3
114.09247	71.4
115.00364	16.6
115.07645	25.8
115.09575	1.5
130.08716	3.3
132.03006	5.7
140.10815	3.5
142.12363	0.8
156.37901	0.8
166.77220	0.8
168.10356	3.3
186.11349	21.4
187.11697	1.0
212.09276	6.0
230.08389	2.0
230.10333	45.0
231.10684	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1238
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
50.93276	0.4
54.82610	0.7
59.01391	41.2
66.07677	0.5
81.02432	0.6
82.02983	0.9
92.11710	1.6
94.70068	0.6
116.32466	0.6
125.09720	1.0
127.11298	1.3
130.52773	0.8
151.11301	3.1
159.95950	0.6
169.12344	31.0
171.10272	100.0
172.10568	3.0
204.58534	0.6
213.11325	8.5
231.12393	49.1
232.12672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	4.0
68.01414	3.1
69.08044	0.4
81.02195	21.0
85.18081	0.5
91.05517	3.2
92.11748	0.8
96.00908	100.0
100.04039	1.0
116.05056	0.6
118.06617	5.3
123.94641	0.9
127.17019	0.4
138.46765	0.6
141.53645	0.5
145.06619	2.4
172.07680	12.9
204.10367	2.0
215.48073	0.5
226.25706	0.5
232.09782	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	232.119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82875	0.8
56.41681	0.4
58.32707	0.5
59.01383	9.5
71.01380	8.1
72.00891	0.9
85.06586	36.7
87.92516	2.2
88.04037	100.0
88.13633	0.6
113.06072	6.4
123.94626	1.1
130.08717	2.6
148.72079	0.6
156.88338	0.5
160.09792	27.2
161.10112	0.8
232.09729	1.2
232.11911	19.5
233.10265	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42339	1.3
59.01390	21.3
67.77557	1.3
71.01376	1.3
74.99067	3.5
75.00894	2.2
93.00136	3.4
110.13250	1.7
121.34023	1.7
134.99390	3.1
136.97298	3.1
149.00945	74.5
159.08472	3.0
160.17107	1.9
161.06400	6.2
189.05681	1.9
196.82178	1.7
198.83258	1.8
217.07228	100.0
217.62605	1.8
218.07289	2.2
229.09549	1.7
233.07979	3.2
233.10344	81.8
233.15460	9.6
234.10574	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	234.1137
Annotation	10-Hydroxydarlingine
Peak:m/z	Relative Intensity
54.83034	1.5
59.01381	13.8
65.11499	1.6
68.38435	1.5
71.01350	2.1
79.79836	1.7
105.21368	1.6
183.63023	1.7
190.12375	93.4
204.63266	2.3
229.81616	2.2
234.11359	100.0
234.15993	2.5
254.47412	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	236.0776
Annotation	N-Glycolyl-D-glucosamine
Peak:m/z	Relative Intensity
55.01875	0.8
55.05182	0.5
58.02984	0.8
59.01389	6.8
70.02988	4.4
71.01387	5.1
72.04557	7.2
74.02483	100.0
82.41558	0.6
84.04550	2.3
87.00888	5.9
88.04065	7.3
89.02441	0.7
98.02483	11.9
98.06090	2.3
99.00890	2.2
116.03539	80.4
126.05569	3.9
129.01920	2.4
130.57997	0.5
140.03555	6.5
143.90269	0.6
146.04582	9.7
147.03024	0.9
236.07773	16.0
258.08401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11665	0.3
59.06486	0.3
69.86623	0.3
71.01381	22.1
71.57372	0.3
86.20613	0.3
88.91212	0.3
115.00357	7.0
116.81812	0.3
117.84975	0.3
121.02946	100.0
122.03284	0.5
134.03769	0.4
159.48134	0.4
202.85155	0.4
237.04045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27473	0.3
66.27248	0.3
66.33121	0.3
68.24532	0.3
71.01396	21.8
71.96684	0.4
111.00938	0.4
115.00387	8.5
118.59926	0.3
121.02956	100.0
184.25903	0.3
189.55403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1861
Annotation	Hanamyol
Peak:m/z	Relative Intensity
54.35955	0.7
55.08221	0.8
59.01109	1.3
59.01387	32.6
61.55534	0.7
61.98842	6.9
64.29121	0.8
67.70035	0.7
71.01378	2.2
75.00864	4.6
89.37115	0.8
91.34451	0.8
96.53882	0.9
100.37627	0.9
113.44852	0.9
116.92934	0.9
119.45623	0.8
121.02953	4.7
127.26264	0.9
129.01961	1.2
134.14874	1.0
150.93687	0.9
209.94666	1.3
237.18617	100.0
238.18976	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	239.2017
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
58.03273	0.8
59.01385	13.7
71.01372	2.0
89.02440	3.4
89.68954	0.8
103.18552	0.7
121.44202	0.8
126.16364	0.9
163.62262	0.8
179.05565	1.6
195.13774	1.1
223.02855	1.2
239.20190	100.0
240.20456	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	241.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	6.1
57.77711	0.6
59.01387	100.0
66.77347	0.7
67.05518	1.4
69.63036	0.6
71.05017	1.0
83.05040	0.9
97.06577	0.8
99.04531	3.2
119.08656	4.6
127.59860	0.8
135.08156	0.9
137.09712	10.6
159.16098	0.7
161.09727	1.1
163.07622	0.9
163.31775	0.9
174.84880	0.8
179.10762	3.4
181.07181	1.6
181.08682	19.1
197.11844	37.3
223.09766	1.2
232.55000	0.8
241.08571	1.0
241.10838	16.8
244.08386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03028	0.6
54.04581	0.7
59.01387	10.2
64.87347	0.7
79.85155	0.8
97.06561	1.4
150.53470	0.7
151.11285	1.0
153.12813	3.4
175.72559	0.7
179.10774	9.3
195.10316	4.9
197.11842	100.0
198.12175	1.5
241.10840	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	241.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	6.1
59.01393	100.0
61.51233	0.7
61.98830	1.1
67.05534	1.4
71.01383	1.6
81.31918	0.8
95.01316	1.0
99.04476	1.9
103.33692	0.9
113.85136	0.9
119.08650	2.1
137.09729	5.1
163.07671	1.7
179.10786	4.6
181.07210	3.5
181.08694	22.0
197.11836	32.6
207.81071	1.0
241.10771	14.9
248.38635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.5
64.97199	0.7
73.65832	0.6
83.02833	0.6
88.50693	0.7
107.05081	0.8
151.11353	0.9
153.12814	1.7
179.10759	8.6
195.10269	5.0
197.11839	100.0
198.12178	1.5
241.10838	22.6
245.92883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03003	2.1
59.01383	7.4
59.51109	0.8
61.98840	2.4
67.32434	0.8
70.02998	4.9
71.01393	1.0
72.82951	0.9
75.57982	0.9
81.03522	1.0
82.02983	40.4
84.04567	2.1
84.10489	0.8
85.91561	0.9
89.02398	0.9
97.06057	1.6
97.06577	11.0
104.59425	0.9
109.04131	1.9
110.56800	1.0
111.03272	1.4
112.04013	8.0
114.09267	1.7
126.09281	1.9
127.05173	6.6
130.08746	15.8
140.10880	1.1
141.10352	27.7
141.11362	1.6
151.11296	2.4
153.12904	5.6
168.09055	1.4
169.13551	1.4
179.10873	4.5
181.07277	4.8
195.10332	1.7
197.11806	42.0
197.13094	72.9
210.36380	1.0
241.12064	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	241.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82891	0.9
58.02967	4.3
59.01391	1.8
67.96065	0.8
70.02975	4.9
71.01394	0.9
71.04671	0.7
72.37444	0.8
82.02976	39.9
84.04548	4.1
92.12373	1.5
109.04077	1.1
111.03252	0.9
112.04039	12.3
114.09264	1.8
126.09256	1.7
127.05157	3.6
130.08711	8.1
141.10336	29.9
154.12297	1.0
169.09845	3.3
169.13405	0.9
174.35748	0.8
197.13010	93.5
198.13229	1.7
217.66112	0.9
223.98643	0.9
241.11967	100.0
242.12225	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	242.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78418	0.5
57.40968	0.5
59.01393	4.6
61.98825	3.3
70.02972	0.9
71.01378	8.0
85.02975	1.0
88.04040	100.0
110.12720	0.6
112.75447	0.5
114.01978	5.3
115.00368	14.0
118.92810	0.6
126.09228	1.1
127.07679	5.9
132.03029	49.8
163.56570	0.6
165.87692	0.5
198.11351	2.8
242.10361	23.4
242.67305	0.6
244.76884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
59.01362	5.6
61.98834	6.3
81.02197	100.0
82.02992	1.4
86.65892	0.8
92.12366	2.0
96.00909	43.0
109.01689	11.2
110.09742	1.3
111.08153	3.9
138.09250	96.7
139.09587	1.1
140.10788	1.9
141.82117	0.9
166.08733	62.0
170.11876	10.4
184.08243	1.7
184.09805	41.0
198.11377	53.2
198.42912	1.1
207.10246	1.3
210.07652	5.0
225.11366	6.2
242.05435	2.3
243.12373	5.2
250.65154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
66.03504	15.2
68.01418	1.6
71.01392	1.8
71.06673	1.0
72.34879	0.9
82.02986	43.6
83.01382	1.4
84.56684	1.0
92.95503	1.0
94.02985	4.1
96.04525	2.1
105.75714	1.0
108.04514	1.8
110.02477	100.0
111.02006	13.5
111.02709	1.8
122.02471	9.0
124.04010	2.7
140.03537	9.6
143.86848	1.3
152.03522	16.9
153.03044	10.5
200.05676	34.9
236.27856	1.1
243.06227	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
57.78503	1.1
59.01399	1.3
64.83093	1.3
66.03490	16.0
68.01431	2.4
71.01376	2.1
82.02539	2.2
82.02985	39.3
84.45669	1.8
94.02969	1.5
96.00948	1.6
96.04584	2.0
108.04550	2.3
110.02481	100.0
111.02056	12.2
122.02473	11.7
124.04086	2.8
140.03517	8.5
152.03485	14.5
153.03058	7.8
159.00865	1.4
200.05675	33.2
243.06232	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	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82448	1.6
57.03447	3.9
59.01387	100.0
64.93301	1.4
65.76491	1.9
66.89174	1.8
69.96363	1.4
73.02953	2.1
85.94035	1.5
92.65125	1.5
139.09608	2.3
139.11293	56.7
142.01656	2.0
163.11330	2.2
165.09261	2.5
167.09102	2.2
181.12355	31.8
183.10271	63.2
199.13387	18.1
201.11301	2.8
207.10298	8.2
225.11368	35.6
243.12390	97.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93908	0.6
55.44426	0.7
59.01377	3.6
60.41736	0.7
63.73377	0.6
71.01374	0.7
71.05016	3.7
83.05021	0.9
92.65194	0.9
97.02941	1.7
97.06563	1.3
99.00874	12.4
102.65359	0.7
110.03731	1.2
117.77531	1.0
125.09689	5.5
137.88016	0.9
141.78348	0.8
142.02780	1.0
155.14450	1.3
163.11276	6.0
169.12390	1.2
181.12354	20.0
182.12634	1.2
197.11906	3.3
199.13425	26.6
203.88383	0.9
207.10265	35.1
218.86235	0.8
225.11342	52.4
226.11646	1.1
232.28140	0.8
243.12381	100.0
244.12720	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07535	0.7
54.82536	1.0
55.30012	0.7
57.03421	0.7
57.26820	0.8
59.01390	2.0
69.39946	0.8
70.61345	0.9
71.05019	4.5
73.02935	5.0
76.05528	0.8
83.05023	0.9
97.02949	7.1
97.06577	1.5
99.00880	18.6
105.84994	0.9
109.06585	2.1
110.03736	4.2
125.09727	9.9
129.82906	0.8
135.08136	1.3
142.02719	1.2
153.12892	1.5
155.14536	1.2
157.47348	1.0
162.97165	1.0
163.11270	13.3
168.54201	0.9
179.10709	1.1
181.12352	29.3
197.11845	1.1
199.13425	27.4
207.10278	64.4
225.11348	88.4
243.12389	100.0
244.12642	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	243.1964
Annotation	13-Hydroxymyristic acid
Peak:m/z	Relative Intensity
59.01385	100.0
61.98830	1.2
151.76686	0.6
164.60800	0.6
185.24052	0.6
190.16228	0.6
197.19136	0.8
243.19673	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1966
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
54.44256	0.3
57.03460	2.9
59.01379	3.7
61.98840	6.0
71.05021	14.6
85.06559	2.0
89.42213	0.3
97.06584	0.5
101.06062	0.4
116.92833	0.5
151.65829	0.4
153.12833	1.2
155.14420	15.3
167.91039	0.4
169.15970	15.2
181.15961	0.8
197.19122	33.0
225.18594	3.2
241.18109	3.7
243.19670	100.0
244.20047	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	244.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12341	0.8
58.61952	0.8
59.01384	4.7
61.98835	11.9
72.10327	0.8
73.97958	0.7
81.02197	23.7
81.96387	1.1
92.11713	1.8
96.00917	2.3
97.31252	0.8
109.01703	100.0
117.03476	5.5
161.31792	1.0
172.07622	0.9
201.05540	1.4
244.06136	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	245.0931
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
53.03810	1.3
58.02990	29.0
67.32488	1.1
67.66259	1.2
70.02982	15.8
71.17626	1.1
72.00896	6.1
72.04553	2.4
74.02473	100.0
95.29276	1.2
98.02473	27.6
102.24732	1.4
106.20488	1.6
113.80687	1.4
114.75397	1.5
116.03534	22.0
116.05042	40.6
130.06615	3.1
138.69450	1.4
142.06633	9.5
152.65128	1.3
159.09299	7.1
186.05710	2.5
201.10413	10.1
203.08295	72.4
204.08511	1.7
245.09320	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.093
Annotation	N-Acetyl-L-tryptophan
Peak:m/z	Relative Intensity
57.03453	3.3
58.02975	31.3
59.01108	2.3
59.01385	40.1
64.91708	1.9
65.79050	1.6
65.95325	1.8
69.17350	1.9
70.02973	11.6
71.01376	4.1
72.00902	9.4
72.04530	3.1
74.02469	100.0
75.00869	8.3
84.31594	1.7
85.02946	2.6
87.63949	1.7
92.65241	2.1
98.02483	26.7
99.00847	2.2
113.02424	2.6
116.03547	24.5
116.05058	34.9
120.05021	9.6
130.06593	3.4
137.09740	7.2
142.06636	7.5
143.07202	1.9
145.71013	2.2
151.61606	2.0
159.09276	4.1
181.08693	11.1
183.76965	2.0
186.05632	2.3
197.11588	1.8
201.10419	8.1
203.08296	89.6
245.09296	73.4
249.06221	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	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79807	0.6
54.83134	0.7
54.96722	0.6
59.01384	37.1
61.98848	0.6
63.41570	0.7
66.16090	0.6
67.12161	0.7
73.02894	0.7
85.82336	0.6
116.05039	1.6
116.50729	0.6
131.20602	0.7
139.11310	0.8
149.38196	0.7
165.12801	1.1
173.07179	9.6
183.13893	23.9
185.11826	100.0
186.12260	1.1
203.08241	0.7
204.40395	0.8
209.11877	0.9
227.12895	8.3
245.13940	47.5
246.14410	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	245.1395
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
56.56982	1.3
57.03464	2.4
58.03009	1.6
59.01387	21.0
65.00348	1.8
71.05032	1.9
74.33647	1.4
75.00876	14.4
78.95861	1.5
83.05025	2.1
96.71069	1.4
96.89003	1.4
97.61289	1.2
99.81064	1.4
101.02383	1.5
106.64783	1.3
107.01398	1.9
111.08159	3.1
114.98811	1.4
125.09744	11.9
129.41962	1.6
135.04529	16.5
143.02478	10.4
151.00357	9.4
163.11327	1.6
165.12831	18.4
178.21501	1.4
183.13914	26.4
187.09775	10.9
199.13460	2.1
201.14923	10.8
209.11844	11.2
227.12958	52.6
245.13953	100.0
246.14462	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1912
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
52.59024	0.3
53.03668	0.3
53.46114	0.3
59.01370	2.2
61.98818	0.8
65.75904	0.3
70.06486	0.3
82.95398	0.5
85.48955	0.3
86.00230	0.3
99.92557	1.5
109.60411	0.4
116.92860	1.7
169.09726	0.3
229.16017	3.3
245.19122	100.0
246.19418	3.4
257.37698	0.4
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	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
59.01387	0.3
60.61596	0.1
64.13816	0.1
71.06478	0.1
121.02908	0.3
132.98137	0.2
174.99321	0.2
179.15437	0.2
184.00182	0.4
186.95648	0.3
189.09552	0.2
205.15962	0.2
220.17018	0.3
231.13919	0.6
247.17039	100.0
248.17403	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	250.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67527	0.4
59.01375	0.7
62.86698	0.4
70.02971	0.9
71.01390	9.8
75.78172	0.5
88.04037	100.0
91.05527	3.7
92.12363	0.6
114.01979	4.9
115.00364	15.8
132.03024	87.1
134.06139	1.2
135.04543	3.2
145.43951	0.6
204.24129	0.6
206.08275	2.7
220.66748	0.6
250.07240	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	251.2018
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
51.69715	0.4
51.76250	0.4
59.01384	0.8
117.66106	0.5
130.35132	0.4
142.01146	0.5
208.47408	0.5
251.20193	100.0
252.20564	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	252.0514
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
52.16388	0.3
59.01389	3.2
60.27641	0.4
60.27954	0.4
62.68429	0.4
63.94571	0.4
71.01376	10.4
88.04036	3.5
91.01891	0.9
92.05056	10.7
93.03446	20.4
114.79766	0.5
115.00368	9.7
118.02982	18.8
121.02917	0.9
132.02997	3.5
136.04028	100.0
137.02425	5.0
137.04353	2.0
146.06107	0.9
162.05602	0.4
164.07173	7.0
181.22095	0.4
185.51631	0.4
208.06200	5.1
234.04128	0.9
252.05132	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92268	0.3
59.01161	0.2
59.01386	4.1
65.32088	0.3
67.86920	0.3
70.26930	0.3
79.11349	0.3
82.20594	0.3
87.57360	0.4
88.35248	0.3
91.01879	2.1
110.71510	0.3
131.51927	0.4
132.02176	1.3
133.02937	3.0
135.00902	2.5
147.36830	0.3
169.06602	0.8
180.05858	0.7
183.04431	0.3
193.07126	0.7
195.04488	0.4
196.05312	1.8
197.06084	1.9
208.05281	4.0
209.06146	3.6
211.04088	0.4
223.04042	2.0
224.04819	5.8
225.05548	2.3
252.04329	1.3
253.05081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43377	0.2
58.39003	0.2
59.01400	2.0
64.12608	0.2
79.82526	0.2
91.01900	3.1
102.62118	0.2
117.03463	0.4
132.02171	1.2
133.02956	3.7
135.00905	2.3
153.01933	0.9
169.06555	0.8
180.05800	1.3
181.06578	0.3
183.04446	0.2
193.07237	0.2
195.04492	0.8
196.05347	2.2
197.06067	1.8
203.67566	0.2
208.05298	4.3
209.06093	3.7
211.04033	0.5
223.04004	2.7
224.04779	5.1
225.05591	2.1
252.04218	1.4
253.05078	100.0
254.05264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70779	0.2
53.56652	0.3
54.82664	0.2
59.01377	2.0
68.84179	0.2
85.91309	0.3
91.01891	3.0
92.11613	0.5
117.03492	0.5
132.02182	1.1
133.02974	3.5
135.00914	2.0
142.49957	0.3
153.01944	0.5
167.05002	0.4
169.06596	1.2
180.05786	1.0
181.06601	0.5
195.04483	0.4
196.05240	2.1
197.06058	2.0
208.05258	3.2
209.06168	3.4
210.03218	0.3
223.04111	2.0
224.04811	4.5
225.05618	1.8
242.84515	0.3
252.04314	0.7
253.05093	100.0
254.05530	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	0.2
59.01392	4.3
87.65740	0.2
91.01891	3.1
97.31938	0.2
105.12688	0.2
105.23499	0.2
107.90388	0.2
117.03453	0.2
132.02177	1.2
133.02979	3.5
135.00879	1.8
153.01976	0.3
160.01672	0.3
167.05078	0.3
169.06618	1.2
180.05765	1.4
181.06578	0.4
182.03807	0.3
183.04475	0.4
193.07161	0.5
195.04520	0.7
196.05287	1.9
197.06148	2.1
207.04521	0.2
208.05316	4.0
209.06119	3.7
211.04051	0.3
223.04033	1.6
223.47302	0.2
224.04822	5.4
225.05620	2.4
252.04321	1.1
253.05090	100.0
254.05402	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	253.0929
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01881	0.3
57.18686	0.3
58.08884	0.4
58.72573	0.3
59.01384	100.0
71.01382	1.6
73.02951	1.8
85.02950	1.6
87.00877	0.9
92.05038	0.4
97.02966	0.7
99.00885	1.8
101.02457	2.7
121.51569	0.4
125.02431	0.7
155.03581	0.4
161.04561	5.8
189.09138	0.4
193.07179	18.1
193.08911	0.6
253.05327	1.4
268.82111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32285	0.4
59.01110	0.5
59.01387	11.3
59.54462	0.3
60.11212	0.4
81.78831	0.4
90.22574	0.4
94.64967	0.5
118.64242	0.5
138.89131	0.4
193.07150	1.7
238.92645	0.5
253.05113	0.7
253.21747	100.0
254.22032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02455	4.0
56.50934	3.8
59.01376	25.1
60.26024	4.0
62.55470	4.0
64.24488	4.2
71.67392	4.1
74.08026	4.7
77.49616	4.1
81.78415	4.5
89.28355	4.3
92.11695	20.0
105.17686	4.4
120.43853	4.9
155.63666	4.3
164.31503	5.9
183.05736	32.3
213.06885	100.0
256.23697	24.1
257.05814	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	257.2124
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
52.08640	0.4
53.66613	0.5
55.92904	0.5
57.03445	2.7
59.01369	3.0
71.05020	12.8
78.43299	0.5
85.06577	1.2
85.17669	0.5
86.19476	0.5
87.04498	0.7
93.28966	0.5
112.13889	0.5
116.92815	0.6
119.55799	0.6
137.30255	0.5
152.14420	0.6
167.14380	0.5
169.15974	12.3
183.17538	14.4
195.17673	0.7
211.20700	26.0
221.15477	7.9
221.84288	0.8
239.20229	1.0
250.95566	0.5
255.19705	2.5
257.21243	100.0
264.76340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78227	0.2
54.09172	0.2
56.24128	0.2
59.01384	0.5
79.95721	2.3
86.02437	0.2
87.00865	0.4
96.96005	100.0
105.75832	0.2
144.04573	0.9
146.06120	1.2
173.07176	0.5
195.10222	0.3
212.42325	0.3
215.08354	0.5
250.50032	0.2
259.06485	24.9
259.11853	1.0
260.06921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67822	0.6
53.06168	0.7
59.01390	6.5
59.01640	0.7
63.98174	0.8
71.01366	1.3
80.54822	0.8
92.12406	0.9
110.07542	0.7
116.05048	1.6
144.04543	100.0
145.04887	0.9
187.05124	48.4
187.06821	1.6
200.54001	0.9
259.07242	64.3
259.11880	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	259.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25266	0.5
55.63886	0.5
58.72399	0.5
59.01364	1.0
63.31289	0.5
67.25356	0.5
74.02451	2.5
82.02960	2.7
84.04533	3.1
85.29742	0.5
86.02451	0.8
97.58083	0.6
115.92088	1.1
128.03525	88.0
129.03821	0.8
130.08723	100.0
141.10333	1.1
151.08791	0.6
153.10333	0.8
169.13474	0.9
170.66620	0.8
179.11957	4.4
197.12973	7.9
223.10887	9.0
236.86714	0.7
241.11974	8.4
259.13019	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	259.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10513	0.6
55.25398	0.6
56.54271	0.6
59.01377	1.0
63.46677	0.5
74.02489	1.1
78.25607	0.7
82.02984	4.8
84.04556	1.5
92.55485	0.7
128.03543	86.8
130.08740	100.0
141.10342	1.4
179.11916	3.0
197.12999	8.0
223.10899	8.7
241.11940	8.4
259.13037	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	259.1915
Annotation	Ipurolic acid
Peak:m/z	Relative Intensity
54.82843	0.3
56.57027	0.3
58.00595	2.0
59.01391	3.2
61.91121	0.3
65.37945	0.3
69.56260	0.3
70.21631	0.3
71.01382	2.7
71.05024	13.7
73.06583	0.5
74.85498	0.3
83.05022	0.4
85.38091	0.3
87.04520	2.8
97.02931	0.7
99.04521	1.5
99.48316	0.3
100.05313	0.5
101.06077	9.1
118.34201	0.4
125.19856	0.3
139.11261	0.8
141.12871	24.8
145.87187	0.4
153.12881	0.4
155.14450	1.2
158.12474	0.3
169.12347	0.5
170.13173	0.5
171.13904	3.6
171.57646	0.4
180.96449	0.3
183.17535	2.9
185.15486	3.7
195.17555	3.0
197.19099	0.7
211.17087	0.6
213.18622	11.3
228.81477	0.4
241.18207	3.5
257.17645	4.4
259.19171	100.0
260.19519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.9
66.03516	2.4
71.01373	2.0
81.02213	18.4
82.03004	10.5
91.50785	2.7
92.05080	2.8
92.12360	3.5
92.65914	2.6
96.00914	18.0
96.96014	16.1
98.00732	19.3
108.04572	19.4
109.01723	15.5
110.01773	4.9
110.02486	80.3
112.04050	14.0
113.04340	20.6
120.48388	2.4
122.46596	2.4
131.05347	29.6
136.04033	41.5
141.02536	2.5
154.03377	2.7
156.04901	83.2
168.06660	2.8
169.02074	15.6
174.07567	2.7
184.04393	100.0
184.06030	4.7
186.06078	2.5
188.07547	12.8
195.56100	2.4
202.05525	4.1
216.07016	88.8
228.03383	12.2
261.08112	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	261.0881
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
50.54804	0.7
55.32193	0.7
59.01381	7.4
70.02974	9.1
71.61457	0.7
72.04540	4.5
73.02948	0.8
74.02468	100.0
84.04549	1.9
84.24914	0.7
85.10406	0.7
96.88672	0.8
98.02462	29.7
115.45994	0.7
116.03527	39.3
127.87355	0.8
128.03549	3.8
132.04546	42.5
144.04533	7.1
201.06700	9.2
219.07776	1.5
261.08820	24.6
261.13358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58403	0.4
52.51070	0.3
59.01370	1.7
76.57403	0.4
78.10674	0.4
84.04548	0.9
87.02736	4.1
90.68822	0.4
92.11795	0.5
102.55498	0.4
120.84010	0.4
124.73481	0.4
131.05325	1.8
133.06937	100.0
229.07465	0.4
262.11234	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58256	0.2
55.34640	0.2
59.01384	100.0
60.56185	0.2
71.01385	0.2
73.02935	0.9
73.30471	0.2
75.18806	0.2
92.11745	0.4
101.02473	0.4
115.08765	0.3
122.78233	0.3
131.07234	0.2
149.97211	0.2
176.76213	0.3
226.39412	0.2
263.10391	0.3
267.72482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82302	0.3
55.02890	0.3
59.01389	100.0
62.08443	0.4
101.02443	0.6
103.09984	0.4
113.85532	0.3
115.05139	0.3
175.04018	0.5
249.24207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31327	0.3
59.01387	100.0
68.00740	0.3
71.01416	0.3
71.55736	0.3
73.02946	0.4
83.60325	0.3
92.12450	0.8
101.02438	0.5
130.26207	0.3
180.84505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58251	0.6
54.51451	0.7
59.01389	38.3
62.40728	0.6
71.01382	2.8
72.00908	13.9
73.02953	1.1
74.02471	22.4
78.07420	0.7
85.02943	1.8
86.03267	1.3
96.04549	3.4
97.04864	1.7
101.02433	2.7
116.05051	65.0
129.05722	0.8
130.06628	0.8
131.58662	0.7
142.06625	19.7
159.09279	9.5
183.11423	0.9
186.05721	3.0
203.08290	100.0
221.10349	3.8
227.10365	3.2
231.11763	0.8
263.03885	1.2
263.14719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1289
Annotation	Hirsutic acid C
Peak:m/z	Relative Intensity
51.38440	0.9
56.80040	0.9
57.03426	0.8
59.01388	33.7
63.01749	0.9
63.33566	0.8
65.61512	0.9
92.12354	3.2
96.55488	0.9
99.06406	1.0
99.97892	1.0
109.06576	2.1
111.04539	1.1
112.62238	1.0
119.08701	1.7
125.06050	5.1
135.08096	1.3
136.05330	9.9
139.07716	1.1
143.45064	1.1
148.05305	1.5
152.08397	2.5
161.09720	1.7
164.08415	1.5
171.08348	1.2
172.84108	1.0
173.16896	1.1
175.07784	1.0
185.09726	5.6
188.08551	1.6
189.09232	7.9
201.12885	23.0
203.10786	27.0
204.11575	58.2
219.13934	41.8
245.11739	1.1
263.12891	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	263.129
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
57.03452	2.3
59.01386	37.7
63.20369	1.4
71.01385	2.8
81.03389	1.3
83.05022	2.7
84.18031	1.4
85.02961	1.9
92.12393	2.2
95.05000	3.6
97.02956	11.4
107.05029	2.3
108.05812	7.3
108.39221	1.6
109.02970	9.2
109.06587	3.6
111.04531	12.6
113.06085	7.8
119.08652	7.4
121.06589	3.4
122.03744	21.3
123.04544	1.9
123.08179	9.1
125.06071	23.9
130.26205	1.7
135.08153	6.5
136.05298	27.9
137.06093	10.5
138.06860	33.3
139.07660	35.8
141.88707	1.7
148.05324	13.3
149.06100	2.1
151.07648	82.5
152.04805	11.2
152.08426	41.4
153.09238	10.0
159.11800	2.8
160.78824	1.4
161.09785	6.3
162.48032	1.7
163.07611	14.0
164.08414	1.6
167.07162	3.2
179.27049	1.5
185.09795	2.3
186.10439	2.0
188.08453	2.3
189.09216	13.0
195.93445	1.9
201.12878	29.7
203.10783	33.2
204.07440	1.7
204.11577	81.2
219.13911	100.0
248.10498	2.1
263.12927	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	263.2018
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01386	11.2
60.78954	0.4
61.98830	2.8
64.34799	0.5
82.95427	0.6
96.97513	0.5
133.78668	0.5
157.14857	0.5
184.88988	0.5
219.20961	0.5
263.20172	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	265.148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.5
66.20888	0.3
68.88384	0.3
79.95719	2.0
95.95225	0.5
96.96004	100.0
101.16765	0.3
110.36297	0.3
110.54233	0.3
161.86899	0.3
189.32924	0.3
198.32930	0.3
265.14801	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2174
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
50.54481	0.2
54.14638	0.3
59.01389	0.6
74.61050	0.3
85.02369	0.3
96.95998	1.2
106.03563	0.3
124.38538	0.3
150.39302	0.3
205.15997	0.6
247.20580	0.3
264.02621	0.3
265.21741	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	266.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72682	0.5
58.53826	0.6
59.01366	1.0
61.98829	9.5
67.03019	9.8
68.01419	18.9
70.29023	0.6
71.01395	1.0
71.32278	0.5
81.04591	9.3
82.02988	1.0
88.04043	9.0
89.38634	0.7
92.65614	0.7
94.02985	1.1
96.00914	100.0
108.05685	46.4
108.06278	0.6
109.01653	0.7
110.02485	17.6
115.00365	1.2
118.04146	0.8
120.05682	17.2
128.03534	2.5
132.03049	9.0
133.02940	0.6
134.04703	3.3
134.07198	1.5
162.06723	9.1
179.87985	0.6
188.04655	1.4
190.06242	57.7
234.05174	6.0
266.06735	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	266.0895
Annotation	Adenosine
Peak:m/z	Relative Intensity
64.66921	0.2
69.28619	0.2
76.51163	0.2
77.58696	0.2
77.95114	0.2
78.95852	0.2
88.04031	1.0
91.77559	0.2
92.02527	1.7
96.95982	0.9
107.03633	6.2
125.71294	0.2
128.57205	0.2
132.03014	1.3
134.04718	100.0
149.50342	0.2
176.19264	0.2
266.09024	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	267.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44108	0.6
55.01889	8.0
57.53476	0.6
59.01388	11.0
60.20013	0.5
61.98843	1.4
70.63716	0.6
71.01389	7.3
72.99283	3.0
73.02948	32.2
78.97328	0.5
83.01397	11.3
87.00862	3.4
89.02428	0.6
92.11671	0.7
93.03461	0.7
99.00874	8.6
101.02438	26.1
121.02953	100.0
122.67690	0.7
127.00361	1.0
135.04523	3.7
145.01424	7.1
147.04443	1.2
177.05571	4.3
212.60521	0.8
267.07254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0662
Annotation	Dorstegin
Peak:m/z	Relative Intensity
54.82735	1.4
54.91409	1.1
59.01395	12.8
60.81735	1.0
61.98821	1.4
62.18062	1.0
87.00861	6.1
101.10215	1.2
103.68122	1.1
104.55388	1.2
105.07790	1.1
183.30948	1.5
197.06079	100.0
223.07692	6.0
260.88083	1.4
267.06625	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0663
Annotation	Formononetin
Peak:m/z	Relative Intensity
59.01385	2.9
60.09208	0.3
66.80154	0.4
87.00853	1.8
91.01896	1.8
108.34954	0.4
129.22673	0.4
132.02171	9.6
135.00900	3.1
153.01894	1.4
161.92676	0.4
166.77936	0.5
167.05066	0.6
171.48779	0.4
192.08365	0.4
195.04506	7.8
208.05283	4.6
219.36626	0.4
223.01794	0.8
223.04010	23.5
224.04784	5.9
239.03465	0.6
251.03511	16.3
251.06075	0.7
252.04292	100.0
267.06650	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0734
Annotation	formycin b
Peak:m/z	Relative Intensity
52.06543	0.2
59.01388	5.7
61.98819	0.4
63.35780	0.2
71.01390	0.6
73.02946	0.5
75.00441	0.2
75.00867	0.3
85.02936	0.3
87.00856	1.0
101.02415	0.5
107.03619	0.3
108.02036	12.3
113.02447	0.4
118.30473	0.3
121.02955	0.5
126.03098	0.5
132.03024	0.3
134.03806	0.4
134.04738	4.4
135.05072	1.1
141.20937	0.3
144.73645	0.3
150.01837	0.4
151.02621	100.0
177.04211	2.5
267.07364	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	267.1967
Annotation	Epijuvabiol
Peak:m/z	Relative Intensity
50.04274	0.5
54.82757	0.7
58.02319	0.5
59.01387	100.0
61.98821	0.7
71.01360	0.9
72.51656	0.6
84.73232	0.7
92.64657	0.7
155.14352	1.0
206.44904	0.7
207.78072	0.7
267.19681	36.5
285.19128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2331
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
54.14888	0.4
66.88050	0.5
73.04515	0.5
89.67419	0.6
91.28146	0.5
99.12848	0.5
100.76573	0.5
124.32610	0.5
236.05316	0.6
267.23309	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	267.2331
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
59.01377	2.0
59.69786	0.4
61.26040	0.4
70.63054	0.4
73.49749	0.3
79.68024	0.3
93.85440	0.4
109.26630	0.3
121.02925	0.4
127.25612	0.4
140.72858	0.4
148.51836	0.4
249.22328	0.4
267.23322	100.0
280.74548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0435
Annotation	3,7,4'-Trihydroxyflavone
Peak:m/z	Relative Intensity
54.95039	0.8
60.92245	0.9
68.83883	0.9
72.39115	0.9
85.81754	1.0
99.02346	1.0
133.30370	1.1
169.06500	1.3
185.06114	1.3
188.56099	1.0
195.04639	1.6
197.06136	4.2
213.05652	2.4
225.05652	1.7
239.55244	1.1
240.04309	6.4
241.05147	4.1
268.03696	1.2
269.04578	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	269.0457
Annotation	Genistein
Peak:m/z	Relative Intensity
52.40398	0.3
56.03270	0.3
63.02409	3.7
65.00330	2.5
84.07874	0.3
84.08439	0.3
89.00351	0.5
90.71401	0.3
90.73943	0.3
91.01889	1.5
107.01398	2.4
117.03452	0.3
123.04541	0.6
132.02243	1.1
133.02950	10.3
135.00887	0.5
135.04543	1.7
155.05025	0.6
157.02957	1.5
158.28928	0.3
159.04520	4.1
169.06575	0.7
171.04626	0.4
173.58968	0.3
177.27525	0.3
180.05853	2.6
181.06616	2.2
183.04498	3.3
196.05362	0.7
197.06104	1.3
199.03986	1.3
201.05652	2.2
213.05527	0.8
224.04797	2.5
225.05682	0.7
227.69763	0.3
241.05234	0.4
269.04581	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	269.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50661	0.0
59.01385	0.0
63.02411	5.0
65.00331	2.6
67.01890	0.1
68.99814	0.1
75.02403	0.0
83.01395	0.5
89.00328	0.7
89.03958	0.1
91.01888	2.3
93.03439	0.1
95.05025	0.0
107.01390	3.8
109.02945	0.2
117.03468	0.6
119.05004	0.1
123.04521	0.8
129.03453	0.1
130.04240	0.2
131.05032	0.4
132.02156	1.1
133.02950	10.8
134.03712	0.2
135.00882	0.9
135.04514	2.5
141.03453	0.2
143.05034	0.3
145.02885	0.0
148.01688	0.1
151.00392	0.8
152.06329	0.1
153.01915	0.3
154.04228	0.2
155.05025	1.1
156.05792	0.4
157.02951	1.6
157.06570	0.4
158.03763	0.2
159.04523	4.3
161.02437	0.4
167.05022	0.2
168.05798	0.3
169.06586	1.5
171.04533	0.6
173.02441	0.0
173.06061	0.5
176.01079	0.2
179.04997	0.1
179.27791	0.0
180.05800	2.2
181.06598	3.1
182.03754	0.6
183.04517	2.9
183.06213	0.1
185.06076	0.2
195.04526	0.5
196.05304	1.3
197.06094	1.3
198.03252	0.1
199.04019	1.0
200.04878	0.0
201.05600	2.4
208.05316	0.1
210.03230	0.0
211.04053	0.2
212.04840	0.1
213.03943	0.0
213.05589	1.1
223.04016	0.6
224.04811	2.2
225.05602	1.9
226.02858	0.0
227.01460	0.1
227.03513	0.7
239.03387	0.3
240.04332	0.6
241.05087	0.7
252.04460	0.0
268.03735	0.3
269.04565	100.0
270.05048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58855	0.2
57.40747	0.2
63.02410	4.8
65.00329	2.3
69.52567	0.2
73.42030	0.2
83.01399	0.5
89.00346	0.3
91.01890	2.1
107.01395	3.9
131.05005	0.2
132.02130	1.0
133.02943	10.1
135.00882	0.4
135.04541	3.3
151.00378	0.3
155.05042	1.2
156.05817	0.3
157.02942	1.6
159.04497	3.6
169.06583	1.2
172.46614	0.2
173.06079	1.0
180.05836	2.0
181.06615	3.2
183.04515	3.0
195.04541	0.3
196.05289	1.2
197.06067	1.5
199.04056	0.9
201.05611	3.3
211.34087	0.2
213.05614	1.2
223.04211	0.3
224.04839	2.4
225.05627	1.9
227.03531	0.4
240.04257	0.9
241.05078	0.4
243.25708	0.2
269.04575	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	269.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44234	0.4
57.90899	0.4
59.64965	0.4
63.02400	4.7
64.09801	0.4
65.00326	1.0
91.01884	2.4
92.11738	1.0
107.01385	2.7
122.92333	0.4
132.02171	0.9
133.02946	9.4
135.04535	1.9
143.05072	0.6
148.23688	0.5
155.05022	0.7
157.02917	1.8
159.04524	3.2
168.36609	0.5
169.06610	1.0
173.06059	0.4
180.05843	2.0
181.06615	2.8
182.03632	0.5
183.04526	2.3
196.05276	0.6
197.06133	1.8
199.04004	0.7
201.05649	3.0
213.05513	0.6
214.52209	0.5
224.04781	3.0
225.05595	2.0
227.03481	0.7
241.05090	0.7
246.61314	0.5
268.03723	0.6
269.04578	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	269.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43148	0.3
54.09241	0.3
63.02411	4.4
65.00325	2.0
65.40419	0.3
82.33981	0.3
89.00336	0.5
91.01891	1.5
92.11578	0.6
98.58604	0.4
107.01413	3.4
119.33861	0.3
123.04502	0.6
128.84317	0.4
132.02185	0.8
133.02956	9.1
135.00871	0.7
135.04521	2.4
137.74384	0.4
155.04985	0.7
156.05833	0.4
157.02953	0.5
159.04520	3.7
169.06622	0.8
173.06099	0.4
180.05817	2.3
181.06676	3.3
183.04543	2.7
196.05257	0.7
197.06053	0.5
199.04036	0.9
201.05600	1.3
213.05594	0.6
219.91518	0.5
223.86316	0.4
224.04784	1.6
225.05574	1.7
269.04578	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	269.2123
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
50.97299	0.5
60.05963	0.6
63.02380	0.5
75.52400	0.6
79.85356	0.7
90.50822	0.6
97.06572	2.6
99.08169	8.8
113.77525	0.6
116.52045	0.7
125.06039	0.7
133.02925	1.0
143.07140	14.5
223.20744	1.4
251.20184	16.3
267.19614	1.3
269.04617	15.4
269.21240	100.0
270.04843	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	269.2124
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
50.31613	0.4
50.71309	0.4
51.53833	0.5
52.39936	0.4
58.85321	0.5
60.34399	0.5
80.22646	0.5
84.02177	1.0
100.77207	0.5
101.23167	0.5
106.63297	0.4
122.02991	0.7
133.02925	0.8
162.15787	0.6
223.20706	25.4
269.01938	0.8
269.04599	12.4
269.21237	100.0
270.21490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75518	0.7
52.89207	0.6
58.99817	0.8
59.01393	1.5
61.10297	0.6
63.02405	13.5
65.00329	22.4
65.24833	0.6
83.01384	15.8
93.03458	14.9
107.01387	38.5
119.05019	100.0
121.02923	1.1
125.02460	1.4
132.92612	0.8
143.05072	1.0
145.02940	2.8
151.00368	74.9
161.06091	2.8
165.01950	3.9
169.01428	4.6
177.01944	7.8
185.06097	1.7
187.02234	0.8
187.03966	4.3
213.00414	0.7
227.07166	1.4
270.04993	1.4
271.06146	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	271.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40986	0.2
58.28216	0.2
59.01377	0.5
63.02401	7.9
65.00027	0.3
65.00327	5.2
65.03957	1.2
67.01884	0.3
83.01385	4.5
92.11758	1.2
93.03452	8.3
95.01370	1.2
104.75151	0.2
107.00710	0.4
107.01389	6.8
108.02160	0.3
109.02952	5.8
119.04994	1.1
121.02949	4.7
130.07782	0.3
132.02176	0.4
133.02954	2.7
135.10323	0.3
137.02444	9.7
149.02431	0.3
151.00372	4.5
164.01125	0.3
165.01929	100.0
166.02295	0.3
177.01974	0.4
211.13451	1.6
227.03537	0.6
227.07219	0.3
271.06143	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02514	0.5
54.03479	0.6
54.82712	0.6
59.01376	3.9
60.68311	0.5
68.01415	13.7
70.02994	0.6
71.01367	0.6
81.02244	0.7
82.02995	1.1
96.00912	100.0
100.04025	3.9
110.02464	4.7
116.05045	3.9
128.03535	15.8
130.06625	0.7
136.16933	0.7
142.05054	0.8
142.06624	4.8
144.77122	0.7
148.64055	0.5
156.16444	0.6
157.07704	1.3
167.06146	2.5
169.06267	1.1
169.07713	35.4
181.24896	0.6
183.09224	0.8
211.08749	5.6
211.57669	0.6
214.39078	0.7
239.08273	28.9
261.76993	0.6
261.79767	0.6
271.05380	3.5
271.10907	1.5
283.17856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75903	1.6
57.03450	19.4
59.01114	2.3
59.01388	56.0
60.39610	2.0
67.05518	4.3
71.01385	1.8
71.04996	3.1
73.02944	2.7
80.89102	1.8
85.02941	8.9
87.04513	100.0
93.07078	2.1
101.06049	3.0
109.06632	2.0
119.08643	2.4
121.10236	38.0
127.07590	2.7
139.07626	19.9
148.43045	2.0
160.61264	1.9
165.09204	58.1
173.13315	3.1
183.10307	4.4
191.14467	2.8
210.78961	2.1
253.14502	10.8
271.05942	3.0
271.15546	92.8
271.18533	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01406	0.3
63.51622	0.3
64.17463	0.3
70.85014	0.3
79.54940	0.3
83.05021	1.1
90.28719	0.2
91.07100	0.3
91.63887	0.2
92.12405	0.4
97.06599	0.7
97.33921	0.3
99.08163	5.4
113.09714	0.6
115.87769	0.3
117.38470	0.3
124.26546	0.3
127.33887	0.3
143.08383	0.3
153.12807	0.4
155.14395	5.7
169.15942	0.7
225.22235	7.9
235.20699	1.2
240.06883	0.3
253.21768	1.1
269.21198	1.9
271.05609	0.4
271.22794	100.0
272.23163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
52.06958	0.2
56.74992	0.3
59.01373	0.5
78.75847	0.3
79.65189	0.3
84.22281	0.2
86.41454	0.3
89.04420	0.3
92.11806	0.5
112.88583	0.4
113.09705	2.0
127.11314	0.5
141.12842	1.6
143.79510	0.3
210.64816	0.3
225.22250	1.9
253.21567	2.3
269.21237	1.8
271.22803	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	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.15578	0.3
59.01370	0.8
64.35384	0.3
70.07197	0.3
74.38544	0.3
83.05004	0.4
125.09702	0.5
127.11292	4.8
133.12273	0.3
160.20415	0.4
199.42981	0.4
225.22244	2.2
244.88557	0.4
253.21780	1.8
269.21237	1.8
271.05194	0.5
271.22809	100.0
272.23169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
57.03448	0.3
58.69928	0.2
59.01400	1.1
60.17535	0.2
61.15607	0.2
61.98817	0.4
81.03453	0.5
83.05028	2.1
88.19849	0.3
92.12401	0.7
107.00592	0.3
111.08172	0.4
113.09724	2.4
116.92782	0.5
119.05045	0.3
141.12869	3.0
155.14436	0.4
162.08530	0.3
203.60141	0.3
225.22272	4.0
253.21765	1.6
269.21173	0.4
271.05313	0.6
271.22797	100.0
272.22974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	3-hydroxy-hexadecanoic acid
Peak:m/z	Relative Intensity
51.40934	0.8
52.46229	0.7
57.03442	1.2
64.34621	0.8
71.05024	12.1
72.60501	1.0
81.61343	0.9
83.37877	0.9
85.06594	1.0
147.98970	1.0
181.15932	1.1
183.17538	11.7
197.19121	11.9
214.81841	1.0
225.22238	28.7
253.21640	1.0
262.48325	0.9
269.21283	2.0
271.22803	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	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01387	100.0
92.12428	0.7
120.52904	0.5
147.24802	0.4
225.22256	0.7
254.41315	0.4
271.22815	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
54.04834	0.6
56.63696	0.6
56.83544	0.6
59.52313	0.7
63.44326	0.7
64.02618	0.7
64.34375	1.0
72.99316	0.8
90.19858	0.7
173.30539	0.9
174.57176	0.8
223.20712	4.2
225.22263	81.8
226.22740	0.9
253.21761	1.3
271.22815	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	273.0105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87005	0.1
56.82072	0.2
59.01392	1.0
62.82348	0.1
64.34559	0.2
68.15444	0.2
74.99371	0.9
78.13963	0.2
78.95889	0.8
82.99917	0.2
87.00876	1.9
94.57275	0.2
96.95982	0.2
109.98544	0.4
110.98545	0.4
117.00437	1.1
125.00943	22.9
126.98873	55.0
141.00452	0.7
141.78845	0.2
141.97588	3.5
143.01991	0.3
157.03593	0.8
159.01495	1.6
167.02115	0.2
168.99928	100.0
178.63805	0.2
183.01505	3.5
185.03069	1.0
211.01059	1.6
212.99001	0.3
229.02034	0.9
236.98972	0.3
255.00069	1.4
273.01016	0.2
273.03662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26157	1.3
54.77198	1.2
59.01389	10.7
60.28029	1.4
63.20786	1.2
64.30720	1.7
70.34315	1.3
71.01381	15.7
88.04046	100.0
91.13859	1.8
92.65421	1.7
127.35269	1.6
128.85408	1.6
155.11908	31.2
166.02280	1.7
167.11897	80.3
201.10658	2.6
202.73961	1.8
227.14053	43.5
239.14050	87.3
260.86780	1.8
273.06842	2.2
273.12915	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	273.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34970	1.0
57.03447	2.2
59.01388	24.3
59.25115	0.9
63.19912	0.9
71.01369	1.8
71.05018	1.2
72.99342	1.1
73.02930	1.6
83.05013	4.6
85.02957	4.4
86.02472	22.0
97.06590	8.4
99.08152	9.3
100.06038	1.1
105.01762	1.1
109.03002	1.4
109.06628	1.1
111.08155	20.9
113.06087	8.9
113.09708	2.9
115.04003	19.3
115.07574	1.3
116.05059	2.3
125.23324	1.2
127.07662	13.4
127.11274	1.4
129.09212	15.5
137.09752	2.0
139.11295	12.8
141.73738	1.1
143.07153	2.9
155.07137	7.6
155.10875	1.5
169.12341	6.3
175.14954	4.5
229.09859	12.4
237.14983	1.7
240.13187	1.4
255.15976	2.7
260.33704	1.3
273.17108	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	275.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39985	0.6
58.85565	0.5
59.01380	3.5
60.25158	0.5
60.94265	0.6
63.84980	0.7
67.03001	4.7
70.02969	0.9
72.00890	1.0
79.06532	0.6
82.02990	6.0
91.05518	5.6
107.02512	2.7
108.26572	0.7
109.04074	37.1
109.06594	0.8
109.54948	0.8
112.04049	5.1
117.81416	0.7
127.05133	100.0
138.43015	0.7
147.04529	7.4
164.07175	3.9
195.10255	1.4
231.11424	4.1
239.09296	4.1
275.10422	61.5
294.19031	0.7
298.96155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59123	1.6
58.18194	2.0
59.01382	24.0
71.01385	4.5
72.00904	2.7
73.02911	2.5
73.45986	1.9
74.02446	3.6
82.02957	1.9
84.73148	2.0
87.00793	2.1
88.04041	100.0
92.11594	2.0
96.95979	4.6
102.05612	29.6
112.00800	2.1
114.05612	3.0
115.92062	4.2
116.05057	44.1
116.92860	2.7
124.03983	2.2
125.07200	2.8
127.05154	3.5
136.19623	1.9
142.06638	28.4
146.04596	8.5
151.05096	7.6
159.09312	19.8
169.06160	5.3
185.07243	2.9
185.10843	2.9
186.05592	3.9
203.08267	16.8
204.40118	2.2
213.10443	3.9
231.11375	31.4
235.26736	2.5
239.09241	8.4
257.09393	4.6
275.07275	4.0
275.10397	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	275.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74239	0.4
57.03442	0.7
57.78414	0.5
59.01390	0.9
59.81568	0.4
62.78325	0.4
72.99306	28.5
73.02944	10.0
75.00868	97.8
75.26699	0.5
91.21591	0.4
106.45799	0.5
155.14445	1.9
170.78181	0.5
183.17546	2.7
195.17491	0.9
206.33502	0.5
213.18658	1.0
275.18661	100.0
276.18967	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.202
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
54.82914	1.2
58.51303	1.0
59.01380	2.7
59.69004	1.0
61.98818	1.5
62.55233	1.1
68.99538	1.7
92.12320	4.4
102.51278	1.1
116.92863	12.3
117.92930	1.2
189.72740	1.1
192.95821	2.2
194.14034	1.2
194.50162	1.2
219.41246	1.2
256.04099	1.5
275.20190	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	276.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12624	0.2
51.71946	0.3
55.55508	0.3
59.01371	0.2
64.34972	0.3
68.01421	3.8
80.48733	0.3
81.02194	23.8
91.05518	3.4
92.12331	0.5
96.00906	100.0
97.99586	0.3
100.04037	0.5
109.01693	6.5
116.05055	0.6
117.03468	0.5
118.06622	13.4
126.01978	0.5
145.06604	3.2
152.75169	0.3
172.07687	13.5
200.07201	0.7
202.08945	0.3
204.10324	2.5
232.09799	13.4
244.06085	0.5
245.61824	0.3
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
59.01382	4.6
59.05918	0.2
69.45301	0.3
71.01392	0.4
72.99296	3.9
78.95895	9.6
79.95751	0.5
85.02945	0.5
87.66432	0.3
96.96001	23.5
96.96925	4.4
100.69403	0.3
102.91454	0.3
102.98902	0.8
112.96197	0.4
114.38615	0.3
117.00416	0.4
125.00920	1.6
126.98852	0.4
134.97049	0.5
136.94003	100.0
137.94112	0.3
154.95071	1.6
168.99933	0.8
178.94995	8.3
183.77357	0.4
189.00749	0.4
198.90657	4.5
214.93678	0.4
215.96039	0.7
216.46088	1.7
216.90834	67.6
216.95978	1.9
217.45993	0.7
219.93069	0.4
232.99704	1.7
234.90700	39.6
240.91660	0.8
240.98462	0.5
241.04681	0.3
246.91637	0.5
255.92062	0.4
258.91699	6.7
258.99438	0.6
276.92029	1.7
276.98639	1.3
277.21692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1809
Annotation	Fenoksan
Peak:m/z	Relative Intensity
59.01372	2.6
61.98836	0.6
63.79906	0.4
108.97865	0.4
115.92097	0.5
121.02980	0.4
160.64359	0.4
177.09242	0.5
203.14441	1.8
205.15979	5.9
217.15974	0.6
231.17618	0.9
233.19124	100.0
234.19373	0.7
259.17130	2.1
277.18121	48.2
277.21442	2.7
278.18362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82998	0.8
57.50530	0.7
59.01389	1.5
64.43584	0.8
72.28639	0.8
92.12414	2.8
114.53607	0.8
219.36377	0.9
220.78551	0.8
239.03618	0.8
277.21738	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	278.0671
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
59.01391	10.8
61.98849	10.7
71.01061	1.2
71.01381	14.5
76.05627	1.2
78.02611	1.3
85.02962	1.0
93.03451	6.0
96.95994	1.7
112.70843	1.3
114.01369	1.1
114.01983	17.4
115.00367	17.9
116.05044	2.7
116.07225	1.4
119.05020	100.0
131.88484	1.1
132.03011	9.4
138.05621	1.6
145.02936	7.5
146.06125	2.5
147.04517	6.0
162.05598	31.1
163.04022	16.3
190.08728	4.0
216.06673	6.2
230.47249	1.2
234.07704	1.7
241.10727	2.6
242.11212	2.6
278.06723	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50379	0.9
57.03440	1.9
59.01369	4.6
72.00387	5.3
72.97520	2.5
73.01148	1.2
79.95727	1.2
83.05066	1.0
87.00877	19.1
90.98588	92.1
97.02956	1.7
99.04520	10.5
101.99898	1.0
109.02932	1.7
109.06573	1.8
117.00136	1.2
121.02940	1.4
121.06614	1.6
122.03726	4.8
124.05306	7.8
127.26295	1.0
129.07439	100.0
135.01241	5.1
137.06059	2.3
139.07655	19.5
145.06902	4.9
147.08498	77.0
168.07922	4.8
173.06412	17.7
174.34030	1.3
176.73744	1.1
179.00192	22.9
187.11243	6.3
191.07486	18.0
205.12355	7.8
217.09041	23.1
235.10005	17.4
261.07944	7.4
279.09113	22.4
279.12274	4.6
279.23300	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0989
Annotation	H-PHE-ASP-OH
Peak:m/z	Relative Intensity
59.01117	2.0
59.01388	42.1
61.98818	6.3
63.73399	1.3
68.28835	1.1
71.01388	39.8
71.02503	74.0
71.04989	5.7
72.00893	2.4
73.02929	7.6
82.50581	1.1
85.02943	5.4
88.04037	43.6
89.02443	13.8
91.05502	8.8
99.04542	9.1
99.05605	7.3
101.02421	6.9
113.02417	2.8
115.00365	42.0
115.03996	5.0
115.07628	1.6
117.05579	19.5
118.31045	1.2
119.03495	5.0
119.04979	6.7
122.89386	3.2
128.03481	3.0
132.03012	2.8
145.08665	2.3
146.06123	25.5
147.04555	11.8
150.05551	2.5
158.22620	1.2
158.25221	1.3
163.04007	6.1
163.07455	2.5
163.08751	41.7
164.07166	41.0
198.50533	1.3
198.56734	1.3
203.00517	1.3
207.99435	1.2
235.10886	38.0
240.78471	1.6
261.08786	2.9
261.13422	1.6
279.09937	100.0
279.14261	10.2
279.23303	92.0
279.26389	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	279.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89100	1.1
53.37865	1.0
55.56500	1.0
57.03458	11.9
59.01381	6.3
60.97543	1.8
65.96246	1.2
69.03448	1.9
71.01378	1.6
72.00383	5.2
72.97536	1.8
73.01176	2.4
75.00858	1.5
77.67312	1.0
78.25031	1.1
79.33331	1.5
81.03470	1.7
83.05050	2.4
85.61880	1.1
87.00860	17.2
90.98584	84.1
95.04992	2.3
97.02945	7.3
97.06570	2.5
99.04508	24.5
109.02918	5.3
109.06573	6.7
111.04517	6.3
117.00116	1.5
119.08646	2.6
121.06575	8.0
122.03733	20.1
123.04493	8.5
124.05292	19.8
125.06071	5.4
129.07443	100.0
135.01149	2.3
136.05231	1.5
137.06088	13.6
139.07648	71.7
144.92986	1.4
145.06883	5.2
147.08488	60.9
163.07698	1.8
163.11319	1.9
168.07907	18.4
171.08151	2.9
173.06410	13.9
174.99693	1.5
175.11278	1.7
179.00188	19.2
187.11293	23.1
189.09117	1.4
190.09975	5.6
191.07498	17.4
205.12340	27.8
217.09050	21.9
217.12297	2.0
235.09996	15.3
235.13457	2.8
249.11313	2.2
261.07965	9.3
279.09082	18.5
279.12341	12.5
279.23291	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56207	0.3
52.92915	0.3
74.34682	0.4
87.36241	0.4
88.62277	0.5
94.82191	0.4
100.08887	0.4
100.25739	0.4
101.52544	0.4
102.40666	0.4
129.14934	0.5
180.30736	0.5
196.85907	0.4
261.22156	0.5
279.23300	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	279.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02907	0.3
63.46814	0.4
90.75436	0.4
92.11665	0.9
106.40144	0.4
118.91804	0.4
200.34680	0.4
238.89763	0.4
259.20700	0.5
279.23309	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	280.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47275	0.5
61.80476	0.6
68.44833	0.5
76.84063	0.5
104.65108	0.5
107.00481	0.5
114.99667	0.5
148.28267	0.6
191.59998	0.6
221.69025	0.6
279.23325	19.6
280.23639	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	281.0878
Annotation	(3R)-3-(beta-D-glucopyranosyloxy)-4-hydroxybutanoic acid
Peak:m/z	Relative Intensity
51.74546	0.3
52.10159	0.4
55.01901	0.5
58.00593	0.8
59.01389	100.0
61.23192	0.4
61.56545	0.4
63.89868	0.4
69.03468	1.8
71.01385	31.8
72.99317	0.9
73.02948	63.7
81.03472	0.5
83.01389	13.2
85.02967	2.7
87.00925	0.5
89.02448	7.3
90.34588	0.4
95.01386	0.6
97.02965	0.7
101.02439	36.3
113.02444	6.8
125.02423	0.6
131.03532	2.5
143.03505	3.5
149.04607	2.8
155.03519	0.8
161.04558	7.4
203.05693	0.6
221.06758	2.0
280.23636	1.1
281.24902	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	281.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82604	0.4
58.99617	45.6
59.01392	12.3
61.98841	100.0
63.96254	1.8
69.66068	0.4
71.01394	0.8
72.99314	3.2
73.98331	1.0
74.99097	20.2
74.99509	0.8
85.02979	0.7
87.00868	3.7
88.04044	2.2
101.02440	0.7
113.02502	0.5
117.97289	1.0
133.08014	0.4
134.03773	0.6
135.98326	3.0
136.99133	9.8
146.08244	0.7
147.01212	0.9
157.06911	4.8
164.88458	0.4
175.07967	1.0
177.45636	0.5
193.09053	1.0
218.10414	2.8
263.09534	1.7
279.32822	0.4
280.23685	0.5
281.10629	26.9
281.24847	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	281.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82564	0.3
58.99614	0.4
59.01393	100.0
61.98840	3.5
71.01391	0.8
73.13113	0.3
74.99136	0.4
76.57359	0.3
85.02963	0.5
87.00860	0.3
101.02458	0.8
110.60326	0.3
160.64911	0.3
165.73174	0.4
221.10306	2.4
280.23767	1.5
281.10852	0.5
281.24896	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	281.1398
Annotation	Carolenalol
Peak:m/z	Relative Intensity
51.40478	0.7
54.83098	0.9
55.01878	1.4
55.06290	0.8
55.20848	0.8
55.40856	0.9
57.03231	1.0
57.03454	15.4
59.01388	8.0
61.06993	0.9
61.96548	0.9
65.03968	4.7
69.03464	1.1
71.05030	1.5
81.03445	1.5
83.05030	15.9
87.00864	16.7
93.03461	1.0
95.05019	4.6
97.03010	1.0
97.06599	1.2
98.03696	1.0
99.04450	1.0
109.06593	2.0
111.04515	5.1
111.08135	3.4
119.08646	1.5
121.06595	8.3
123.08158	35.9
124.05269	4.2
137.09721	5.1
139.07632	5.5
143.08607	1.1
145.10222	4.8
147.08061	1.1
151.07680	5.2
153.09210	3.7
169.08797	1.5
169.10234	5.3
171.10329	1.4
171.11795	38.5
189.12889	14.5
201.12888	10.8
207.13861	9.3
219.13960	5.7
237.14966	43.1
281.13962	100.0
281.24765	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	281.2125
Annotation	3-Epilitsenolide D1
Peak:m/z	Relative Intensity
57.03462	24.2
59.01387	99.9
60.66197	0.9
71.01376	13.6
71.84774	1.1
73.02969	1.4
82.32494	1.0
85.02951	1.8
85.06592	2.8
87.00893	1.6
89.02451	1.9
91.78236	1.2
101.02443	5.0
108.16349	1.2
112.40067	1.0
113.02439	4.6
115.04019	9.8
122.62961	1.1
133.58049	1.2
138.27115	1.1
185.82072	1.1
200.13373	1.1
209.19121	7.4
213.94139	1.2
221.06685	4.6
234.18082	1.3
236.35378	1.3
237.22209	1.4
243.19601	2.3
263.20047	5.3
281.21240	100.0
281.24838	71.1
281.27982	2.7
282.21924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2488
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
57.94406	0.3
64.60545	0.4
65.26027	0.3
73.92655	0.4
74.43176	0.4
80.42992	0.4
124.91446	0.5
136.61116	0.4
142.26534	0.4
167.55673	0.4
281.24869	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	282.0843
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
59.01388	1.0
61.98826	1.2
64.55168	0.2
66.00980	0.3
66.65912	0.2
71.01381	0.2
75.70338	0.2
78.95857	0.2
82.04099	1.4
86.67172	0.2
88.04047	1.8
89.02413	0.2
96.96962	0.3
107.03637	4.9
108.02036	7.9
124.04031	0.2
126.02135	0.4
126.03081	10.8
130.08708	0.9
133.01555	35.0
150.04208	100.0
151.02612	1.5
151.04567	0.2
153.79050	0.2
167.03490	0.3
184.99008	0.2
268.03860	0.3
281.24884	1.8
282.08435	23.7
282.25229	1.4
285.38141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1349
Annotation	Peltigerine
Peak:m/z	Relative Intensity
53.31912	0.7
54.94140	0.7
59.01386	8.0
69.08403	0.9
71.01383	22.4
86.02501	0.9
88.04037	66.3
94.02956	1.0
94.48176	0.9
115.00374	32.3
132.03011	8.4
149.13324	1.6
150.12898	1.8
151.11269	4.6
166.12373	100.0
167.10786	23.8
176.14464	5.1
194.15492	6.5
215.65575	0.9
220.13460	15.3
231.70790	1.0
238.14510	45.0
240.04228	1.5
268.03821	6.5
281.24951	8.8
281.27649	1.1
282.13495	90.9
282.25061	6.6
283.06183	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	282.1347
Annotation	Peltigerine
Peak:m/z	Relative Intensity
58.02983	0.7
58.08216	0.5
59.01382	6.1
61.58549	0.4
71.01038	0.8
71.01385	15.2
74.35634	0.5
80.02754	0.7
88.04040	100.0
94.02975	6.8
114.01955	0.8
115.00373	17.4
124.72370	0.5
130.32431	0.5
132.03029	9.7
144.28722	0.5
149.09653	0.5
151.11275	5.1
166.12361	9.5
167.10780	10.0
176.14458	6.3
183.71732	0.5
194.15483	0.9
220.13416	3.7
222.06871	0.6
238.14525	10.5
240.04256	3.3
261.24112	0.5
268.03848	6.9
281.24881	9.7
282.13501	54.6
282.25208	8.3
283.06161	3.3
286.12244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1349
Annotation	Peltigerine
Peak:m/z	Relative Intensity
50.55593	0.3
53.27831	0.3
59.01392	4.3
59.98618	0.3
62.54586	0.3
64.04127	0.3
70.02990	0.5
71.01387	9.9
88.04037	100.0
96.99316	1.6
98.06106	0.5
99.45194	0.4
114.01965	2.9
115.00362	12.9
121.37955	0.4
132.03018	27.5
146.15352	0.4
166.12424	2.0
167.10783	4.6
211.04059	0.4
238.14511	4.4
240.04369	1.8
264.12479	1.6
268.03815	3.9
281.24875	6.4
282.13477	30.9
282.25244	5.8
283.06030	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	282.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58979	1.2
59.01393	14.2
71.01044	1.5
71.01366	12.9
76.04376	1.4
79.41627	1.5
80.57789	1.4
80.78277	1.4
82.23007	1.4
88.04034	100.0
98.06112	16.6
103.32771	1.5
110.06087	2.6
115.00322	14.8
118.71292	1.8
127.17015	1.6
132.02031	2.2
132.03008	36.5
165.48228	1.5
166.12306	6.7
167.10796	8.0
169.34003	1.9
238.14497	8.8
240.04282	6.6
255.03159	3.0
264.12439	1.8
268.03760	21.2
281.24854	55.9
281.27936	2.0
282.13464	42.0
282.25241	41.4
283.06146	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	283.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44921	0.2
57.97018	0.4
59.01392	100.0
61.98841	2.2
66.69684	0.3
112.92273	0.5
115.02509	0.4
117.00374	0.3
139.94209	1.8
157.03568	3.5
159.01485	7.1
201.02563	72.1
214.44873	0.4
282.25256	3.7
283.26367	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	283.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
76.58263	0.2
78.87431	0.2
88.03532	0.2
90.51798	0.2
92.11649	0.6
97.29086	0.2
147.00883	1.1
183.04491	0.5
184.05330	1.1
187.04027	4.2
196.05309	9.8
196.53392	0.2
202.37971	0.3
211.02023	0.3
211.04042	4.8
212.04822	1.3
224.04668	0.2
239.03514	4.7
240.04298	51.6
241.04713	0.3
249.50345	0.2
255.03073	0.4
267.03000	2.9
268.03793	100.0
269.04022	1.0
283.06146	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0614
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.88446	0.2
59.01376	0.6
66.39169	0.2
71.76714	0.2
92.11790	0.3
132.02115	0.4
147.00858	1.2
184.05241	1.2
187.04005	3.2
196.05316	9.2
209.88960	0.3
211.04004	4.8
212.04800	1.3
216.04352	0.2
224.04720	0.3
236.90572	0.3
239.03539	4.9
240.04297	52.2
241.04478	0.4
248.04312	0.3
267.02969	2.8
268.03790	100.0
269.01144	0.3
269.04117	1.6
283.06143	56.5
284.06390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0613
Annotation	Biochanin A
Peak:m/z	Relative Intensity
52.62261	0.2
54.82478	0.2
59.01383	2.5
60.18712	0.2
60.21952	0.2
63.02362	0.2
63.85459	0.2
69.66245	0.2
72.37791	0.2
78.95880	0.3
83.01357	0.2
83.63582	0.2
89.02439	0.3
91.01857	0.5
102.63170	0.2
107.01341	0.4
116.77368	0.2
117.03392	0.4
117.99026	0.2
132.02151	5.4
135.00847	1.0
147.00809	0.3
148.01640	0.3
151.00343	1.2
153.01903	0.8
163.65829	0.2
167.04987	0.9
171.04437	0.4
179.10783	0.2
180.05861	0.3
182.45132	0.2
184.05251	1.2
188.90691	0.2
195.04501	2.1
196.05298	2.3
198.03209	0.2
201.02660	0.2
211.04022	7.7
212.04788	2.0
216.25809	0.2
223.04042	3.3
224.04837	3.3
226.02670	2.4
239.03491	15.1
240.04274	10.1
250.02632	0.3
255.03012	2.2
267.02997	16.5
268.03778	100.0
269.04053	0.4
282.25168	1.3
283.06131	74.6
283.26434	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	283.0613
Annotation	Acacetin
Peak:m/z	Relative Intensity
52.68469	0.1
59.01122	0.2
59.01382	2.0
59.01636	0.2
59.32344	0.2
71.06039	0.2
71.39307	0.2
76.40666	0.2
78.96670	0.2
91.01936	0.2
100.74926	0.2
102.58617	0.2
115.49026	0.2
119.01363	0.3
121.02933	0.4
132.02119	0.2
133.02972	0.2
141.28757	0.2
147.00868	1.2
151.00378	0.3
154.33023	0.2
171.04597	0.3
179.10832	0.5
183.04495	0.8
184.05330	1.0
187.04001	4.4
195.04500	0.3
196.05281	11.2
211.04005	6.0
212.04700	1.5
215.03497	0.3
224.04665	0.3
239.03493	5.0
240.04285	51.4
255.02983	8.4
267.02954	3.2
268.03778	100.0
269.04016	0.7
270.50131	0.2
282.25027	0.7
283.02628	3.5
283.06107	61.9
283.26410	2.3
284.06387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0684
Annotation	Xanthosine
Peak:m/z	Relative Intensity
50.73162	0.2
52.61224	0.2
64.42932	0.2
71.01426	0.2
74.33514	0.2
76.57452	0.2
82.74380	0.2
89.02447	0.3
108.02037	12.8
123.04482	0.3
126.03103	0.8
151.02612	100.0
167.03468	0.4
193.38542	0.2
205.76741	0.2
268.03714	0.4
283.06842	14.8
283.26398	0.3
303.42673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
67.05531	2.6
71.01396	0.6
72.38686	0.4
88.04060	0.6
89.02455	0.7
93.20438	0.4
95.34830	0.5
96.56789	0.4
124.05308	2.1
135.11815	2.0
179.10773	56.2
180.11043	0.8
180.67502	0.5
196.05351	2.0
211.04077	0.6
218.83484	0.5
223.09784	5.6
227.11241	0.5
239.03470	1.0
239.12953	0.6
240.04279	11.9
241.04703	0.5
241.10971	0.9
245.10634	0.6
267.03232	0.7
268.03796	22.9
268.06619	0.9
269.04199	0.7
282.25351	2.7
283.06155	14.9
283.26486	11.4
287.25571	0.7
302.06314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1189
Annotation	Karalicin
Peak:m/z	Relative Intensity
51.87978	0.5
55.33831	0.5
59.01387	100.0
67.05533	2.7
70.79966	0.5
73.74464	0.6
103.60152	0.6
124.05296	2.8
135.11766	1.0
161.79594	0.5
179.10776	62.9
223.09778	4.7
239.12975	0.8
241.10905	0.9
256.26062	0.5
277.66922	0.7
279.59845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82785	0.5
59.01388	100.0
62.39477	0.5
67.05526	2.9
71.01408	0.7
89.02448	1.0
99.00863	0.5
100.69682	0.5
124.05294	2.7
135.11806	2.2
161.09694	0.8
166.22949	0.5
179.10777	87.1
196.05353	2.0
203.38170	0.5
211.04128	1.2
223.09769	6.0
239.03650	0.6
240.04309	14.4
241.10721	0.8
247.80301	0.5
268.03790	27.6
278.94266	0.5
282.25104	0.8
283.06134	15.9
283.11392	0.7
283.26483	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	283.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13145	0.3
57.03454	0.4
59.01387	100.0
61.68508	0.3
71.01389	0.5
73.02935	0.4
75.85054	0.4
79.95747	0.3
83.05003	0.5
83.51760	0.3
85.02952	0.5
89.02462	0.6
97.23905	0.3
101.02467	0.5
117.63536	0.4
121.06669	0.4
165.09250	1.6
171.80501	0.4
196.05334	0.7
234.87489	0.4
239.03487	0.5
240.04300	4.7
247.15471	2.5
268.03860	9.6
282.25226	0.7
283.06189	5.3
283.11926	0.4
283.15573	0.6
283.26501	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	283.1706
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
51.08990	0.1
55.28437	0.1
58.77658	0.1
59.01392	1.4
60.63839	0.1
71.77821	0.1
89.02430	0.2
92.12383	0.2
96.39066	0.2
106.04269	0.3
107.05029	98.4
108.05350	0.3
123.04511	0.3
123.33793	0.1
147.08186	0.3
149.23991	0.2
163.11290	100.0
164.11638	0.7
194.31340	0.1
200.45207	0.2
201.02580	0.8
217.65756	0.2
234.92529	0.2
240.04427	1.2
268.03833	1.6
283.06467	1.5
283.17059	73.5
283.26260	5.2
284.17337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13998	0.3
51.28011	0.3
55.03084	0.3
59.01389	5.6
62.62419	0.3
66.03481	0.6
92.65912	0.4
93.03416	0.4
104.16952	0.3
116.05062	100.0
124.04066	0.7
128.05057	1.5
130.06592	1.6
134.64337	0.4
140.04961	0.5
142.06622	10.2
154.05450	0.7
156.07021	0.8
156.08208	5.4
166.06699	0.6
167.06151	10.2
168.08195	3.0
169.07706	0.8
170.06073	1.3
181.07713	4.9
182.08556	3.3
183.09271	20.4
193.07773	2.2
195.09256	0.4
196.06441	1.7
197.06062	3.5
197.10857	1.7
211.06886	0.7
211.08765	8.4
241.09851	12.6
285.07733	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	285.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
58.04110	19.2
59.01388	9.4
68.01409	4.8
71.01395	1.6
73.02937	4.2
78.95914	2.8
80.05835	1.2
81.02213	9.2
82.02985	2.0
86.02499	1.3
88.28823	1.4
90.63805	1.1
94.02935	1.4
96.00920	40.7
96.96016	11.4
96.96941	2.0
97.07712	10.6
98.02478	14.8
100.04039	2.7
101.02438	5.8
108.04613	1.2
109.01689	3.0
110.02455	1.4
116.11061	1.3
121.02922	5.3
122.02467	1.6
122.06087	2.1
123.03197	1.5
124.00394	2.1
127.09905	1.5
138.09375	2.1
138.10359	32.6
139.07770	2.2
139.08769	30.2
150.05621	16.1
152.01126	1.9
166.01498	1.7
167.08244	54.4
171.11426	4.8
181.11055	4.4
199.10909	5.8
209.10458	100.0
210.10756	1.6
241.13127	5.6
253.09415	18.4
283.13678	1.2
284.26913	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	285.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12249	0.6
58.37111	0.7
59.01391	100.0
60.53439	0.8
62.71753	0.7
67.37067	0.7
75.20947	0.6
76.14644	0.6
76.58102	0.9
80.05383	0.7
92.12395	3.0
111.27383	0.7
172.06743	0.8
181.12344	67.7
183.10307	0.9
201.11414	1.5
202.17136	0.7
207.74954	0.8
211.73842	0.8
225.11365	10.8
285.13412	2.8
299.81085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87383	0.3
54.92066	0.3
59.01386	60.6
72.99289	0.8
73.02956	0.4
88.04058	0.4
124.72475	0.4
125.02422	0.9
183.13898	100.0
184.14207	0.8
185.11774	1.6
199.13368	0.5
227.12892	5.4
245.13853	0.5
287.14938	3.0
287.18576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1502
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
50.32523	1.1
54.38074	1.1
59.01386	100.0
62.49751	1.2
63.79507	1.5
65.63937	1.2
91.46272	1.3
128.79030	1.3
151.96707	1.2
165.12845	2.6
175.87315	1.4
179.88947	1.4
195.46893	1.6
207.13931	1.7
209.11848	8.1
225.15012	2.8
227.12894	39.6
245.57266	1.6
267.20721	1.4
269.14133	10.6
269.16888	1.2
287.15021	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2228
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
56.58521	0.7
56.84611	0.7
57.10999	0.7
58.00598	2.2
59.01385	5.3
71.12986	1.0
97.06570	3.9
99.08134	8.1
111.08224	1.2
115.07650	1.3
127.07659	1.7
141.12892	11.4
143.07208	1.3
169.12384	1.5
174.26810	1.0
214.28880	1.1
241.21631	1.4
243.53815	1.0
249.18526	1.1
251.20261	1.2
264.95670	1.0
265.68558	1.0
267.19730	1.6
269.21271	4.2
279.12994	1.0
285.20657	5.0
287.22302	100.0
288.22562	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	287.2231
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
51.54095	0.3
54.04273	0.3
58.00620	2.7
59.01392	3.1
63.88353	0.3
66.53614	0.3
85.87788	0.4
92.11614	0.8
97.06584	2.9
99.08154	10.5
109.06577	0.6
115.07652	1.8
120.23130	0.3
127.07669	3.9
129.09192	4.3
139.11266	0.4
141.11766	0.5
141.12865	11.5
141.27776	0.3
143.07153	1.4
144.81775	0.4
169.12326	1.9
171.13875	3.2
211.20647	0.6
221.19104	0.4
223.20764	0.5
227.20009	0.3
241.21724	2.4
246.10245	0.4
251.20190	1.9
267.19766	0.6
269.21228	4.4
285.20740	3.2
287.22293	100.0
288.16147	0.7
288.22571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41257	1.0
55.01885	5.4
56.21278	1.2
59.01389	18.4
66.03486	1.2
68.01405	5.0
70.02977	6.6
71.01388	2.9
73.02950	6.1
80.32530	1.2
81.02178	5.1
82.19897	1.1
83.01395	8.0
84.04551	5.5
85.02945	17.3
91.05519	6.2
92.64858	1.2
96.00905	50.2
96.04492	1.6
97.02914	2.1
98.02470	100.0
101.03949	1.6
110.02476	52.4
112.04054	28.9
116.05056	46.0
117.07096	14.1
118.06627	38.7
125.02437	7.9
125.04833	8.5
129.07135	1.6
130.01433	2.1
140.03508	10.2
142.06618	36.0
144.08191	44.8
145.06641	1.7
146.06039	4.6
147.08156	4.6
154.81490	1.2
156.08218	6.5
170.06122	49.8
172.07675	10.5
174.09241	2.5
175.07726	9.3
182.09720	3.0
184.07672	6.4
188.10889	5.6
198.09209	4.9
200.07204	19.9
200.10899	1.5
202.08749	24.5
216.10318	32.3
226.08815	5.7
236.68178	1.3
237.72858	1.6
244.09796	30.5
248.89369	1.3
261.54626	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	288.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53392	0.1
53.79582	0.1
59.01385	0.9
61.98833	100.0
86.64362	0.2
122.85156	0.2
124.04070	0.2
128.03519	0.2
157.21992	0.2
162.70161	0.2
163.53351	0.2
189.78513	0.2
220.24722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1607
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01376	2.2
64.73106	0.4
71.31841	0.3
75.55451	0.3
79.16438	0.4
79.22280	0.4
81.03442	1.6
92.05037	0.7
93.03443	1.9
107.03746	0.4
108.04549	5.8
109.02941	6.4
110.19953	0.3
124.01686	0.4
127.32865	0.4
134.02477	53.3
135.03265	13.2
135.88800	0.5
136.04037	45.1
136.94563	0.4
137.02473	2.7
148.04060	2.0
149.04807	1.8
176.03534	7.4
176.07195	0.4
177.04272	0.5
179.77904	0.4
181.03882	0.5
190.05096	0.6
198.56175	0.3
204.06631	0.6
207.63594	0.4
235.58945	0.3
287.22400	1.7
288.16083	100.0
289.16525	0.5
292.82690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0831
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
54.53173	0.5
58.02712	1.2
58.02987	30.1
59.01368	0.8
70.02989	14.8
72.00913	8.3
72.04556	4.2
72.84865	0.5
74.02480	100.0
84.04571	0.7
98.02473	29.6
111.32139	0.6
113.35162	0.6
116.03548	22.9
116.05058	53.3
130.06606	6.9
142.06642	14.3
142.54591	0.6
159.09288	10.6
179.75623	0.7
183.09331	0.9
186.05588	2.7
201.10335	6.6
203.08284	87.3
204.92526	0.6
245.09322	96.3
246.49600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11776	0.5
50.61704	0.5
59.01377	0.7
89.07581	0.6
115.05869	6.2
128.03529	0.8
159.08478	1.2
161.10056	100.0
235.09921	0.8
241.54597	0.8
253.05141	8.9
254.05388	9.8
290.14331	14.6
313.97189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55635	0.3
57.03409	0.3
66.98361	0.3
73.38464	0.3
84.04533	1.9
113.09718	3.5
128.03503	0.4
135.74008	0.4
159.08514	3.5
161.10066	100.0
222.08199	0.3
290.14380	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	291.021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73466	1.5
51.68579	1.6
52.19962	1.5
53.36048	1.6
54.82584	1.9
59.01390	10.1
63.98550	1.8
71.01390	18.6
72.99306	25.4
73.53444	1.8
74.99360	11.9
83.01385	8.2
83.57368	1.9
84.70056	1.9
85.01466	2.6
86.99348	1.9
93.49688	1.9
96.31127	3.2
98.99352	4.9
99.00871	9.9
101.00947	20.3
102.98862	18.2
108.18789	2.1
111.00837	4.0
114.98850	13.6
117.00441	42.1
123.02996	10.6
125.00935	100.0
126.98862	16.0
129.00403	2.1
141.00436	32.3
143.01987	4.5
154.98390	8.9
155.42021	2.4
156.99933	7.9
157.03555	48.9
160.97748	2.1
167.02000	69.3
168.02242	2.3
168.99919	27.5
170.97859	5.3
171.01392	6.6
184.97763	3.5
200.90210	2.3
203.99142	3.3
204.99133	2.4
211.01013	66.5
215.00523	3.2
227.00510	5.2
254.99956	52.9
273.01071	67.1
291.02115	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	291.197
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.56805	0.5
59.01383	4.9
61.98796	0.8
64.34442	0.7
71.01376	0.7
71.05019	34.3
74.98291	0.6
79.95731	1.0
85.31297	0.5
88.08307	0.7
94.51862	0.6
97.06590	11.0
121.02906	0.8
123.08164	0.9
137.57167	0.6
181.12315	1.5
207.13971	3.4
219.13898	3.5
235.17091	6.6
247.20688	1.4
273.18622	1.6
291.19684	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	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75354	0.9
51.61516	1.0
57.03458	2.8
59.01370	2.5
71.05026	2.0
76.40569	1.2
79.95729	1.4
81.30791	1.1
91.03446	1.1
97.06554	1.4
111.08106	1.4
121.03040	1.3
121.10224	15.2
125.09705	6.9
126.76891	1.4
139.28029	1.3
185.11841	11.5
190.01189	1.4
196.09343	1.3
198.68037	1.4
211.13354	1.8
291.19705	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	291.1969
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
57.33030	0.3
59.01392	0.7
59.68683	0.3
61.98833	0.7
63.43887	0.3
73.02947	69.8
74.65027	0.3
121.02953	1.6
126.12865	0.4
154.97765	0.3
209.04578	0.4
221.15555	0.5
291.19690	100.0
292.20096	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	292.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53986	0.9
61.88652	1.1
63.62911	1.0
70.02993	1.5
72.00903	6.9
72.04543	7.3
77.13023	1.1
80.35625	1.0
82.02982	100.0
83.01384	16.8
84.04556	10.4
91.05529	5.8
92.60752	1.0
94.02972	6.6
98.02470	27.4
99.00896	1.8
100.04047	13.2
104.87016	1.2
110.02470	2.3
111.03260	27.0
113.37344	1.1
118.06622	11.0
119.74407	1.2
121.39694	1.2
126.01953	5.6
127.00345	10.1
144.04573	7.7
144.08189	2.2
146.06064	2.0
147.04521	48.1
156.08206	1.8
157.57693	1.1
164.07167	65.1
184.07689	32.4
186.09215	17.0
190.05138	2.6
193.92703	1.1
202.08759	23.8
230.08232	18.1
246.07726	87.0
248.09303	1.7
274.07236	53.0
292.08167	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	292.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76739	0.1
54.82713	0.1
58.02987	1.3
62.96159	0.1
64.34521	0.1
71.60991	0.1
75.04567	0.1
87.00863	0.1
97.51135	0.1
115.90278	0.1
126.30019	0.1
138.12857	0.2
154.12346	0.1
156.13943	100.0
157.14287	0.9
179.20721	0.1
200.12924	3.5
292.19214	0.9
311.46841	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	293.1033
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
53.85372	1.5
57.03459	3.9
59.01385	11.1
60.56549	1.6
61.95068	1.4
61.98830	3.5
62.84434	1.5
63.02243	1.6
63.21696	1.5
64.10649	1.4
69.03447	2.3
71.05038	1.7
80.96510	4.2
83.05005	6.7
85.02948	4.3
95.05029	15.5
96.84082	1.7
97.02949	19.7
97.06550	1.7
99.04427	2.2
107.05050	12.7
109.02943	14.2
109.06606	17.4
111.04510	23.8
111.08195	2.5
113.02437	2.2
121.06591	11.7
122.03732	100.0
123.04518	3.1
124.05288	42.3
125.06075	7.1
127.05080	2.6
128.03534	9.8
135.04518	20.0
135.08206	4.3
136.05298	4.3
137.06088	30.3
138.06845	15.1
139.06561	3.1
139.07646	81.2
144.10329	12.5
145.06587	2.9
145.10233	2.5
147.08189	4.0
148.05344	2.2
149.06042	3.4
163.07639	6.6
163.11317	7.9
164.07161	4.1
171.08208	20.6
175.07635	2.6
175.49986	1.9
177.12849	3.7
185.09752	3.3
186.11418	7.0
187.11285	81.5
187.12930	3.6
189.09229	7.8
190.09953	15.4
205.12363	49.0
211.13353	2.0
231.10307	18.1
241.05629	1.8
249.11331	31.9
271.90210	2.1
293.10358	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	293.1147
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
50.32909	0.9
58.02969	2.1
72.00905	14.2
74.02058	0.9
74.02471	5.7
77.40978	1.0
82.02970	3.9
84.04531	2.4
88.50770	1.1
91.05520	5.5
92.12372	2.5
93.02655	1.0
99.05624	2.0
109.04082	10.1
112.29260	1.2
118.06583	1.6
127.05128	30.0
128.03529	100.0
132.31531	0.9
147.04523	39.0
164.07176	70.9
180.56773	1.1
183.08815	1.1
185.07332	1.1
199.46956	1.0
213.10417	3.4
229.09177	1.0
257.09335	11.3
275.10419	23.6
293.11548	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	293.2125
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
52.88248	1.1
59.01376	6.7
59.50375	1.0
61.98837	1.7
62.47689	1.0
66.47440	1.0
68.08590	1.2
68.99562	1.6
76.58051	1.2
79.95737	1.2
89.02427	1.1
96.95872	1.2
116.92831	1.2
128.03508	1.7
131.47676	1.2
141.18884	1.1
147.04544	1.4
153.52325	1.3
163.42824	1.1
164.07185	1.8
165.04277	1.2
169.12331	2.0
197.11844	50.2
220.14752	2.8
221.15541	9.1
231.21133	1.6
236.10437	4.7
275.20209	37.3
293.18079	4.1
293.21255	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	293.2125
Annotation	17-Hydroxylinolenic acid
Peak:m/z	Relative Intensity
52.74457	1.0
57.15140	1.3
59.01372	6.7
71.01364	1.2
71.05009	2.7
92.12513	2.4
115.66483	1.1
128.03542	1.2
149.66495	1.2
231.21193	2.3
235.17038	74.8
275.20197	100.0
276.20663	1.5
293.21240	68.5
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	12-OPDA
Peak:m/z	Relative Intensity
56.10704	0.8
59.16357	0.8
75.67150	1.0
80.42661	0.8
93.96229	0.8
131.00595	0.8
136.03802	0.8
179.14339	0.9
184.91142	0.8
195.13902	14.1
205.12399	1.3
223.13446	10.9
252.32887	0.9
256.13187	5.1
275.20187	9.3
276.39719	0.9
293.21252	100.0
294.21683	1.4
297.51929	1.1
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
51.75716	0.7
57.03450	0.9
59.01384	7.8
59.77262	0.8
62.08603	0.8
64.22834	0.7
67.85104	0.9
71.01366	1.4
71.05019	5.4
96.96002	60.7
97.06602	1.3
117.81808	0.9
148.37888	0.9
177.16539	0.9
205.15976	0.9
209.15578	1.3
220.14684	1.3
221.15486	4.2
223.17076	5.9
226.42168	0.9
231.21269	1.9
235.17043	46.0
237.25491	0.9
275.20190	50.8
293.17978	42.3
293.21280	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31392	0.5
57.03460	5.3
59.01372	1.2
60.43875	0.6
72.23760	0.6
84.82614	0.6
85.06541	0.6
89.01498	0.7
92.12310	0.8
94.24464	0.6
96.96000	11.9
97.06590	0.9
113.09721	20.0
139.11285	2.4
167.10750	1.1
171.10272	2.9
177.12750	1.1
179.10750	3.0
195.13901	4.3
222.85280	0.6
235.17004	0.7
249.22223	3.1
268.74246	0.7
275.20236	5.3
293.18048	7.3
293.21216	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	293.2125
Annotation	17-Hydroxylinolenic acid
Peak:m/z	Relative Intensity
59.01387	9.5
61.98817	0.9
66.83081	0.9
71.01370	1.6
74.02507	1.0
89.02431	1.0
128.03520	2.1
140.61296	0.8
164.07176	1.8
167.31030	0.8
177.16577	0.9
193.15872	0.9
209.15483	100.0
220.14659	1.8
221.15526	3.9
231.21161	4.1
236.10529	1.8
275.20190	82.8
293.21255	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32414	0.4
51.24990	0.3
53.71682	0.3
57.03456	1.9
59.01366	0.6
79.95752	1.0
93.10468	0.3
96.08521	0.4
96.96003	50.9
97.06579	0.8
101.14105	0.5
107.83560	0.4
123.08160	0.9
125.09727	4.9
127.39070	0.4
138.82143	0.4
141.12892	0.8
149.09731	2.1
183.13966	1.0
185.11836	10.3
197.11874	2.8
213.23669	0.4
275.20105	0.7
293.17969	35.1
293.21265	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	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82661	0.4
56.65054	0.3
57.03452	0.5
59.01395	0.4
72.07840	0.3
96.96008	6.4
97.06575	0.8
123.08176	0.3
125.09708	4.8
130.72295	0.3
138.02747	0.3
141.12842	1.3
149.09711	2.0
185.11848	11.1
197.11888	2.7
201.61143	0.4
220.14577	0.4
221.15530	0.8
221.26425	0.4
236.10590	0.4
238.67242	0.4
249.22270	0.7
275.20264	0.6
293.18250	4.5
293.21259	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	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.6
59.01379	0.9
61.98818	0.4
63.57627	0.4
72.61871	0.4
72.99287	0.6
76.79569	0.5
77.24635	0.4
83.05032	0.7
87.09343	0.5
96.96016	4.5
98.15617	0.5
98.25890	0.5
113.09721	1.0
117.94079	0.5
125.09732	0.6
128.03583	0.7
139.11284	3.1
153.12816	2.3
185.31316	0.5
186.01337	0.5
191.18011	3.9
220.14674	1.7
221.15520	2.3
224.14250	0.6
236.10591	1.0
247.18393	0.5
247.20528	3.5
275.20261	0.5
293.18298	3.7
293.21265	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	293.2489
Annotation	9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester
Peak:m/z	Relative Intensity
50.51298	0.4
54.10012	0.3
54.35685	0.3
55.22014	0.4
59.01376	1.0
63.97263	0.5
71.01389	0.4
96.96017	0.8
99.39563	0.5
106.47448	0.4
177.09178	0.5
184.96126	0.4
192.11559	0.5
195.60532	0.5
205.12213	0.5
220.14767	4.8
221.15446	8.1
221.17456	0.7
236.10521	5.1
266.92642	0.5
293.17874	2.4
293.24890	100.0
294.25220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22103	0.8
57.03473	1.8
65.38593	0.9
69.03471	8.0
70.69828	0.9
72.00922	14.6
72.04553	1.1
72.99319	1.3
73.42818	1.0
82.02993	71.7
84.04565	2.2
84.43002	1.1
85.02958	33.6
91.05534	6.7
96.11803	1.2
98.02470	1.5
100.04048	26.2
101.02439	24.7
113.02457	4.1
118.06649	2.5
124.05746	1.0
128.03548	1.4
129.01936	88.4
147.04539	46.8
158.27119	1.1
159.08221	1.2
164.07178	100.0
165.07520	1.1
188.10843	1.4
209.64743	1.3
232.09914	1.9
233.86601	1.1
250.10861	1.3
276.08774	33.9
294.09848	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	294.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
69.03461	6.9
72.00916	12.2
72.04543	1.6
72.99277	1.0
77.03912	1.0
82.02989	68.7
82.03484	2.2
84.04573	1.1
85.02955	42.2
85.42352	1.0
91.05544	4.7
93.93054	1.1
99.61295	1.0
100.04042	27.5
101.02439	26.6
113.02462	2.3
118.06643	4.8
125.93292	1.1
128.03532	1.3
129.01939	80.2
131.21977	1.3
147.04536	46.9
156.98436	1.0
159.08124	1.8
164.07184	100.0
165.07469	1.4
189.09274	1.8
232.09749	4.4
250.10959	1.3
257.37866	1.2
276.08752	43.0
294.09906	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	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.04222	0.6
55.26357	0.8
59.01384	4.3
76.96342	0.7
83.29121	0.8
92.11758	1.3
98.95611	3.4
125.09740	0.9
171.10277	50.0
223.67213	0.8
235.07887	0.9
245.82138	0.9
277.21753	78.8
295.22809	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	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.81860	0.7
59.01384	4.8
71.01412	0.8
101.18696	0.9
162.65024	0.8
209.15462	16.6
223.17055	49.9
231.57207	0.9
277.21719	42.3
295.22803	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	295.228
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
59.01385	1.8
64.34923	0.7
72.47452	0.5
82.20624	0.6
83.78032	0.5
86.08315	0.6
92.11658	1.2
113.09724	2.5
179.14331	0.7
181.12273	1.0
195.13918	22.2
259.56995	0.7
277.21729	22.9
277.24823	1.0
295.22815	100.0
306.40176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.04222	0.6
55.26357	0.8
59.01384	4.3
76.96342	0.7
83.29121	0.8
92.11758	1.3
98.95611	3.4
125.09740	0.9
171.10277	50.0
223.67213	0.8
235.07887	0.9
245.82138	0.9
277.21753	78.8
295.22809	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	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89021	0.5
54.82779	0.4
57.03448	0.9
59.01379	3.7
66.19915	0.4
67.33426	0.4
69.12435	0.5
78.73452	0.5
88.48307	0.6
105.16161	0.4
105.77674	0.4
113.09714	4.7
116.92825	0.6
179.14438	2.3
181.12363	0.8
195.13824	0.8
238.52487	0.5
277.21786	2.7
295.22803	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	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
67.01350	1.0
92.11776	1.2
113.09735	1.8
153.54999	1.1
158.62680	1.0
183.13892	2.2
195.13896	22.9
277.21771	21.5
295.22803	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	295.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25555	0.7
55.80363	0.8
57.03452	1.1
59.01383	1.6
71.04502	0.8
81.23715	0.7
85.36157	0.8
171.10278	34.6
183.10315	1.8
183.13965	1.2
195.13901	6.4
275.62692	1.0
277.19257	1.0
277.21753	56.1
295.22818	100.0
310.92627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.58916	0.4
59.01366	0.9
83.05042	0.6
88.72393	0.5
89.83668	0.5
92.11752	0.6
114.38853	0.5
121.50149	0.5
125.64093	0.5
127.11330	0.7
130.96986	0.5
141.12871	9.8
155.14449	3.6
158.72426	0.5
192.57970	0.5
249.22258	10.2
277.21683	1.1
295.22806	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	295.228
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
54.19305	0.6
54.24915	0.6
56.59256	0.6
57.03456	0.8
59.01376	3.4
60.33862	0.5
65.54773	0.5
70.56581	0.5
71.01418	0.6
78.19056	0.5
78.66477	0.5
79.09864	0.5
92.64993	0.6
125.09715	0.7
141.12897	2.6
169.12343	3.5
197.11789	1.0
199.83107	0.6
277.21750	9.5
295.22809	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	295.2644
Annotation	10Z-nonadecenoic acid
Peak:m/z	Relative Intensity
51.21381	0.3
54.10952	0.4
54.50085	0.4
56.16501	0.3
57.01061	0.3
58.51027	0.3
58.98448	0.4
59.01373	0.8
63.25847	0.4
74.12659	0.4
82.74780	0.4
92.12468	0.9
97.04385	0.4
137.01042	0.4
139.71593	0.4
164.75996	0.4
277.21667	0.5
295.26425	100.0
296.26663	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	296.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76875	1.0
59.01369	6.4
61.98829	1.6
74.09670	1.3
84.69675	1.1
84.97234	1.2
85.02940	1.4
85.53677	1.1
87.68131	1.2
91.48026	1.2
93.32488	1.1
98.95586	3.0
100.95416	1.3
116.92866	6.3
149.89920	1.3
153.98228	1.3
171.10252	33.8
172.10588	22.1
172.11661	1.3
183.01253	2.8
201.04979	1.6
201.75983	1.6
277.21741	12.6
278.22083	71.8
294.83215	1.3
295.22833	18.1
296.18179	2.7
296.23145	100.0
297.15326	4.9
297.24414	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	297.077
Annotation	5,4'-DIMETHOXY-7-HYDROXYFLAVONE
Peak:m/z	Relative Intensity
57.33944	0.9
59.01372	4.5
87.57635	0.9
91.62062	0.9
95.83041	0.9
155.05042	1.1
167.04979	3.3
183.04523	5.8
195.04515	19.1
210.03310	1.1
210.06850	1.3
211.04010	19.3
223.04008	4.2
225.05624	1.0
239.03519	67.1
239.05942	2.3
254.05879	30.3
254.08183	0.8
267.02966	15.1
282.05365	100.0
283.05542	1.4
297.07730	67.5
297.11102	2.2
297.24423	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	297.1345
Annotation	Tehranolide
Peak:m/z	Relative Intensity
57.03440	1.0
59.01373	3.3
68.66461	0.5
70.26105	0.5
71.01382	0.7
72.99304	13.0
75.00871	100.0
82.95401	0.7
85.45461	0.5
85.98201	0.5
88.04053	0.7
99.04507	0.5
108.02165	0.7
109.02917	1.1
123.04536	0.8
124.02264	6.6
134.04742	1.1
137.09627	0.6
144.04559	0.5
146.06165	0.5
161.09647	0.9
165.09253	0.7
177.12827	0.6
178.09947	0.8
179.10793	3.1
189.06732	0.7
203.10741	0.7
206.09491	6.3
221.11858	10.1
253.14336	0.9
261.08832	2.3
297.13461	64.6
297.24414	3.6
298.13788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1343
Annotation	Amoenin
Peak:m/z	Relative Intensity
50.31609	1.1
54.52851	1.2
54.82552	1.4
55.01873	6.0
55.91131	1.2
56.56999	1.2
57.03193	2.3
57.03455	45.6
58.58882	1.2
59.01389	3.1
71.01366	1.9
72.99284	1.3
79.56217	1.3
81.03451	5.3
83.01383	75.9
83.04987	1.4
85.02943	9.8
93.03403	1.8
95.05018	8.7
97.06593	2.2
99.36353	1.1
101.02433	55.2
103.43449	1.3
107.04994	1.6
109.06603	2.2
111.04510	1.8
120.05802	2.9
121.02907	1.5
121.06578	9.0
135.04582	2.0
135.08151	27.7
136.05260	1.5
137.06055	1.7
137.09727	29.3
144.05833	5.2
147.04465	1.5
147.08136	1.9
149.09726	8.2
151.07642	21.8
151.11302	3.0
159.08182	3.0
160.08949	2.1
161.06046	5.3
161.09735	6.9
162.06877	2.9
163.11331	1.5
173.09747	1.9
175.11296	2.9
177.09200	56.9
179.07132	18.0
183.32343	1.3
187.07698	15.8
187.11255	3.2
189.09352	2.9
189.12814	5.2
191.10716	2.0
202.10048	15.3
205.12363	3.2
207.13940	1.9
217.12337	29.4
235.13393	100.0
253.14479	3.2
279.12442	9.0
297.13449	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55030	2.5
57.03456	3.4
59.01374	23.0
68.43699	2.8
73.02930	3.8
78.37434	3.7
83.05043	4.7
92.12341	12.3
95.39711	3.1
96.19320	3.3
134.07370	5.3
135.04694	3.4
149.09723	59.5
165.09215	7.9
167.10764	95.9
170.05901	7.4
193.08716	40.0
209.11818	4.3
211.09776	100.0
297.24240	23.7
309.90591	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	297.1862
Annotation	5,6-Dehydrosugiol
Peak:m/z	Relative Intensity
53.52499	0.5
59.01386	1.1
89.19897	0.5
99.83242	0.4
103.60596	0.5
116.92858	2.5
121.06583	100.0
146.97571	0.5
163.11282	92.0
172.39157	0.5
183.01247	2.8
194.38678	0.5
205.54965	0.5
297.15408	4.6
297.18616	62.5
297.24170	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	297.2436
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
53.10246	0.4
57.03452	6.1
57.79087	0.5
59.01385	2.3
59.54591	0.5
71.05020	6.9
82.99287	0.6
83.19875	0.5
85.06566	3.4
87.04486	0.7
116.92854	0.7
130.12550	0.6
143.91838	0.6
209.19228	1.1
251.23862	3.3
253.25203	0.8
279.23422	0.9
297.15186	2.3
297.24374	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	297.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83849	0.2
55.72994	0.2
57.03452	0.3
59.01389	0.5
60.03433	0.2
65.73687	0.3
92.12357	0.6
116.92819	1.1
121.06544	0.4
133.41023	0.2
139.11276	0.3
141.60657	0.3
155.14450	1.2
163.11292	0.3
183.01207	0.5
183.13892	1.2
199.13445	2.9
251.23924	0.5
253.25340	0.5
279.23270	4.5
295.22913	0.5
296.23654	0.3
297.15237	1.7
297.24365	100.0
309.11734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
51.07749	1.7
59.01389	100.0
67.07508	1.9
75.85867	1.9
78.46133	1.8
85.45062	1.8
116.92857	9.7
164.70633	2.1
165.24638	1.9
176.44705	2.4
183.01198	9.9
195.03441	2.1
196.66040	2.3
297.15372	17.0
297.24399	84.5
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	Unknow
Peak:m/z	Relative Intensity
52.69980	0.2
54.82816	0.2
71.43048	0.2
85.02605	0.2
89.35411	0.2
169.13109	0.2
183.01231	0.4
251.23776	1.1
264.85065	0.2
272.72388	0.2
279.23312	1.8
287.72937	0.2
295.22729	1.1
297.24387	100.0
298.24725	0.3
298.62436	0.2
313.21826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
113.09718	1.0
146.50287	0.6
183.13898	52.5
279.23270	6.9
290.87421	0.7
297.24374	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	297.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
64.61859	0.2
84.83019	0.2
119.87125	0.3
125.09678	0.4
127.11274	2.2
133.30032	0.3
153.12895	0.5
168.44220	0.3
171.10277	11.9
279.23312	15.5
295.22852	0.6
297.24380	100.0
298.24667	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	297.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
91.04876	0.3
125.09711	0.5
141.12891	0.8
155.10782	2.7
163.55783	0.5
171.10271	4.5
197.86569	0.4
253.25537	0.6
270.18088	0.4
279.23312	7.5
295.22629	0.5
297.24374	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	297.2437
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
52.57433	0.5
55.01867	0.5
57.03881	0.4
59.01375	0.6
61.98837	0.5
64.21953	0.4
67.22253	0.5
84.02165	0.4
116.92877	0.8
139.85529	0.5
183.01221	1.2
187.02980	0.5
214.51326	0.5
249.22232	0.8
251.23814	34.2
251.26443	1.1
279.23282	2.0
297.15250	3.5
297.24384	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	297.2436
Annotation	2-Oxooctadecanoic acid
Peak:m/z	Relative Intensity
53.55513	0.5
60.92242	0.7
69.38538	0.7
71.05029	19.2
73.43056	0.6
74.83777	0.6
83.05018	3.8
87.25837	0.7
103.06135	0.7
104.25726	0.7
116.92854	4.5
134.48230	0.7
183.01247	6.9
225.22200	3.0
246.17726	0.7
251.23837	4.8
253.25420	35.1
279.23300	6.7
297.15305	10.6
297.24387	100.0
298.24683	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0562
Annotation	Koparin
Peak:m/z	Relative Intensity
59.01405	8.0
59.61794	0.5
66.39182	0.6
69.03468	0.6
88.80329	0.6
92.11760	0.6
97.02941	0.7
121.02940	0.6
132.02213	1.0
133.02888	1.0
163.00337	0.8
183.04520	0.9
184.05286	0.8
187.44252	0.6
190.99879	4.4
199.04018	1.4
200.04784	5.1
211.04037	1.4
224.11035	0.6
227.03502	6.6
228.04291	3.0
239.03505	2.8
240.04353	9.8
255.02905	5.9
256.03833	0.8
283.02490	7.4
284.03275	100.0
299.05640	41.0
299.22284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0564
Annotation	Koparin
Peak:m/z	Relative Intensity
54.82307	0.3
57.93401	0.3
63.64069	0.3
71.16098	0.3
76.04270	0.3
91.01830	0.4
108.02206	0.4
115.02612	0.4
119.19021	0.4
124.02322	0.3
135.00813	0.7
137.28017	0.3
145.02965	0.5
148.01691	7.7
150.03163	1.3
151.00299	1.8
153.01918	0.7
158.03699	0.7
163.06018	0.3
170.03706	0.7
172.05103	0.3
176.01099	0.5
183.04478	2.0
184.05286	0.6
195.04434	0.5
199.03972	2.3
200.04756	2.3
211.03993	4.5
212.04846	2.7
213.54823	0.4
213.56955	0.4
214.02678	0.6
223.04044	0.7
224.97809	0.3
227.03508	12.7
228.04257	1.9
239.03575	3.9
240.04282	1.4
242.02197	0.4
244.04408	0.4
255.02994	8.5
256.03738	3.3
267.00027	0.3
267.03009	1.7
273.80984	0.4
283.02481	7.9
284.03293	100.0
285.03647	0.8
299.05649	74.9
300.05930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1864
Annotation	Achaetolide
Peak:m/z	Relative Intensity
54.82492	2.1
57.03448	10.0
58.00575	1.9
59.01384	27.4
73.89378	1.7
87.04512	13.3
92.11743	6.4
111.08157	1.9
149.13264	1.7
150.02995	1.8
167.10742	14.9
167.16885	1.8
169.08701	3.2
174.99261	3.6
193.12343	24.6
196.67921	2.1
211.13393	34.8
217.00325	8.1
263.16415	7.2
281.17551	4.4
299.02591	4.4
299.18640	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	299.1868
Annotation	Achaetolide
Peak:m/z	Relative Intensity
55.01882	2.3
57.03457	11.7
59.01381	16.4
60.62350	1.4
61.95149	1.5
62.82967	1.4
69.03457	6.3
71.05011	2.0
77.14227	1.5
79.95714	1.9
85.02936	30.1
92.12395	6.7
97.02933	1.6
97.06564	13.7
99.08149	3.7
119.08611	2.2
125.06067	7.0
137.09723	10.2
139.07588	1.6
143.07124	56.2
149.59468	1.6
151.07651	3.2
174.99173	1.9
183.01151	17.8
203.10760	2.0
204.11559	2.0
217.00320	10.1
219.13864	3.4
227.03493	1.9
238.76564	1.6
256.03769	3.4
263.12869	10.5
263.16656	2.9
271.06250	2.5
284.03220	3.2
299.05988	5.7
299.09537	21.1
299.18652	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	299.2593
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
57.03454	2.8
59.01384	3.2
61.12103	0.3
61.36672	0.3
71.01379	0.3
71.05024	11.6
85.06570	1.4
87.04523	0.5
88.37307	0.3
97.06612	0.4
116.92859	1.4
119.97896	0.3
130.84506	0.3
190.31081	0.3
209.19095	0.4
211.20711	10.0
217.00397	0.4
225.22272	13.2
237.22290	0.7
251.23776	0.4
253.25397	25.2
281.24860	2.1
297.24503	2.4
299.25949	100.0
300.26645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2594
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
57.22596	0.4
59.01387	100.0
60.99279	0.5
72.21731	0.4
92.11566	0.6
116.92870	1.2
127.50008	0.5
140.06430	0.5
280.97995	0.5
299.25943	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2593
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
55.01879	0.8
57.03475	1.0
60.44262	0.7
64.34214	1.0
73.90546	0.7
98.09566	0.9
116.92818	4.0
119.11656	0.9
124.99528	0.9
195.27072	1.0
211.68973	0.9
249.22241	1.2
251.23793	7.7
253.25385	79.9
255.23343	1.5
256.23602	5.7
281.24771	1.3
299.25928	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	300.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89975	0.3
54.81451	0.3
57.54296	0.3
58.02989	25.5
59.01392	6.0
69.98490	0.3
70.02974	1.4
71.00989	0.4
71.01387	11.9
84.04528	0.4
84.95235	0.3
88.04038	100.0
96.99298	0.3
106.73593	0.4
112.04014	1.7
114.01955	3.7
115.00369	13.7
130.05086	14.7
132.03032	9.9
174.04073	4.6
184.13364	2.3
185.11819	3.7
190.70819	0.3
256.15479	1.9
256.17975	0.4
282.13480	0.5
285.03522	0.5
300.14554	43.7
320.20978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.07251	6.1
59.18370	6.8
71.01367	10.5
72.00870	9.0
74.02454	11.6
78.95882	7.1
82.95401	9.0
85.32222	7.4
86.92581	8.5
89.54314	8.0
93.03452	17.3
95.07890	7.4
96.96004	61.0
115.04005	11.4
123.00867	45.9
137.02444	9.5
138.03241	16.2
147.04526	15.3
164.07184	43.0
231.13428	8.1
241.08311	62.4
267.09955	8.8
301.10318	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	301.1296
Annotation	L-phenylalanyl-L-histidine
Peak:m/z	Relative Intensity
57.03459	2.2
58.00605	23.7
59.01392	100.0
61.98838	13.4
65.44139	1.4
67.66660	1.2
69.03474	1.6
70.38636	1.2
70.62947	1.5
71.01377	1.7
73.02956	28.9
81.03460	5.7
83.05038	2.0
84.02191	22.9
85.02470	2.2
85.02962	52.9
86.39412	1.4
95.05000	2.0
99.04509	17.0
107.05035	3.0
110.03715	1.7
123.08223	2.0
125.02483	1.8
125.06087	1.9
133.06834	2.4
135.08163	13.8
139.07620	7.0
153.09256	21.1
159.16898	1.4
161.09738	16.1
173.77156	1.4
177.12840	8.1
179.07172	2.1
179.10750	3.1
183.35419	1.3
195.10208	2.1
197.08170	9.6
205.08788	1.9
221.08488	2.4
221.11839	6.0
223.09848	4.5
239.09203	6.7
239.12903	8.8
241.10828	2.8
257.13913	6.6
265.10840	2.2
283.11932	8.0
285.58023	1.5
301.04007	2.5
301.12946	88.3
302.13013	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1664
Annotation	Viridamine
Peak:m/z	Relative Intensity
50.44464	0.2
54.45924	0.2
59.01384	0.3
60.15267	0.2
60.97502	1.0
61.98822	1.0
74.99036	0.4
75.68797	0.2
106.31953	0.2
114.39268	0.3
134.99396	6.5
136.97333	2.4
141.07397	0.4
150.98856	0.4
159.08459	1.8
161.06395	9.3
203.05673	4.2
205.03595	1.4
212.98589	0.3
215.05711	1.7
217.07233	100.0
218.07385	1.6
235.08189	0.5
240.31400	0.3
242.26747	0.3
261.06271	0.6
283.11926	0.3
285.13501	45.5
286.13824	1.1
301.16638	95.8
302.16956	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	301.2175
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
59.01384	0.6
60.39665	0.3
61.98833	0.5
62.30212	0.3
68.34745	0.2
68.57849	0.3
69.90456	0.3
75.74109	0.3
111.36549	0.3
125.06294	0.3
174.25964	0.3
253.57350	0.3
300.26074	0.6
301.21765	100.0
302.22150	1.2
303.47836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1359
Annotation	(R,R,R)-nicotianamine
Peak:m/z	Relative Intensity
70.02985	1.9
71.01378	54.1
72.00908	3.5
74.89365	1.7
78.95895	9.2
99.05624	29.0
100.04049	18.3
111.01981	4.1
111.05643	2.8
112.04027	2.8
117.06691	24.0
126.98865	4.3
129.00485	4.2
129.06699	9.9
144.78096	2.0
150.69604	1.9
157.09830	4.0
158.92567	3.0
160.98373	1.9
182.09363	34.2
186.12479	31.3
199.01071	2.4
200.10426	11.7
201.08813	3.5
212.10413	15.9
212.12227	2.6
240.13577	9.2
258.14639	4.4
284.12521	100.0
302.13641	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	302.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58755	0.4
61.98818	0.5
81.65968	0.5
84.04543	100.0
96.04543	0.8
99.62273	0.5
166.12364	54.1
192.05869	0.5
195.58099	0.5
210.11426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26435	0.6
51.16857	0.6
55.01880	0.7
59.01385	7.6
64.07084	0.7
66.03497	7.3
66.09171	0.7
71.01392	4.2
75.65820	0.8
82.02983	18.3
94.02945	1.1
108.04574	1.1
110.02479	69.2
111.02008	100.0
115.00356	3.3
122.02484	5.9
124.04034	1.8
128.03568	0.9
130.08746	1.3
140.03542	9.6
144.04543	11.3
152.03543	13.7
153.03038	5.4
156.78534	0.8
187.05147	3.9
200.05647	26.1
229.94595	0.8
243.06224	93.3
259.07257	4.4
302.13477	1.2
303.06204	4.9
303.13760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75116	0.3
52.65568	0.3
59.01385	59.3
60.01710	4.4
61.01810	1.0
61.18485	0.4
61.98833	100.0
103.92049	0.6
104.92748	0.6
115.02541	1.0
116.02632	0.8
117.00420	3.5
117.02290	1.0
118.00560	2.9
118.85152	0.5
119.00179	5.3
128.29723	0.4
129.37865	0.6
132.15688	0.4
134.97107	0.7
159.01492	13.6
160.01636	16.2
161.01189	21.9
161.96260	0.8
161.98943	18.6
162.01729	2.9
162.96527	1.0
165.94193	0.5
168.14055	0.6
201.02649	3.0
202.02750	4.0
203.02307	3.1
204.00064	3.8
204.02800	0.8
261.99179	0.7
262.01746	0.7
277.27896	0.5
303.02478	6.8
304.00116	10.9
304.02890	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	305.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04000	0.3
51.04867	0.3
51.86002	0.2
59.01385	41.2
72.32833	0.3
74.33208	0.3
77.53296	0.3
79.95722	2.4
84.82531	0.4
90.23055	0.3
90.57112	0.3
91.65952	0.3
96.96001	100.0
97.06567	0.5
127.91486	0.3
135.08173	0.5
143.70192	0.3
147.08165	1.6
165.09312	0.5
174.80984	0.3
180.62822	0.3
207.04405	0.3
220.40189	0.4
225.11331	23.1
305.07034	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55262	1.0
58.02985	11.7
59.01386	52.0
61.98828	5.0
70.02974	5.1
72.04544	1.8
74.02473	66.7
74.02895	2.3
79.95749	1.2
84.04541	1.6
86.02472	6.0
92.05100	1.3
96.96005	100.0
98.02485	18.8
110.02504	1.2
116.03548	20.7
116.07190	7.4
120.40514	1.1
128.03500	1.9
130.06618	4.9
131.05373	2.4
132.04556	30.4
132.05565	2.1
144.04572	13.6
157.07715	10.5
158.06137	2.0
158.08298	1.3
173.07240	7.8
175.08829	2.7
199.08777	8.9
201.06758	7.5
201.11292	3.6
207.10172	1.3
209.11913	2.5
215.08298	14.1
219.07788	1.9
225.11359	25.9
243.11325	1.4
261.08801	13.6
287.10205	2.0
305.07062	77.2
305.10626	2.9
305.16171	5.4
319.11334	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	305.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03462	0.8
59.01385	100.0
61.98826	0.6
71.01387	5.4
72.99310	0.4
73.02936	3.0
80.22459	0.3
83.01396	1.7
85.02942	4.4
86.54497	0.4
96.95998	12.9
96.96568	0.7
99.00903	0.5
99.70637	0.4
101.02422	7.2
104.16769	0.4
111.00944	0.4
113.02471	2.4
161.04613	2.0
171.67764	0.4
225.11333	2.9
226.48997	0.3
263.15002	6.9
305.07025	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	305.2489
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01117	0.7
59.01390	19.3
61.98819	1.4
71.01373	1.1
72.83440	0.6
73.02970	0.8
91.00942	0.8
92.37649	0.8
96.96023	0.9
99.73972	0.8
101.02448	1.4
105.65609	0.8
116.92822	0.7
133.23535	0.7
135.86958	0.7
141.01730	3.4
160.53123	0.7
161.04578	1.7
180.90466	0.7
305.24915	100.0
306.25403	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	306.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95191	0.3
55.34455	0.2
57.23449	0.3
59.01404	1.7
60.92720	0.3
61.98841	100.0
63.33081	0.3
64.00546	0.3
71.01393	0.7
74.02500	0.7
84.53582	0.3
88.04016	1.0
96.96020	1.3
103.75246	0.3
114.64904	0.4
116.03587	0.4
130.08757	5.8
133.85272	0.4
144.04535	0.5
145.04977	0.3
150.83379	0.4
163.21248	0.3
164.77011	0.4
165.23698	0.4
180.17815	0.5
190.07007	0.4
225.04944	0.3
280.05951	0.4
305.07642	0.5
306.07870	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	306.102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
71.01404	0.3
75.82160	0.2
76.43142	0.3
80.62235	0.3
84.04533	1.5
85.35706	0.3
87.02741	3.2
88.86213	0.3
96.96001	1.2
114.97879	0.3
131.05344	2.5
133.06937	100.0
220.10199	2.6
262.11203	11.0
272.08679	0.3
306.07205	0.4
306.32407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0859
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
55.39228	0.4
56.17601	0.3
59.01108	0.5
59.01383	11.3
60.99857	0.3
65.61873	0.3
69.59784	0.3
71.05482	0.3
79.95726	1.6
90.88306	0.4
96.95997	100.0
98.00927	0.3
105.42420	0.4
109.39125	0.4
110.54990	0.4
127.10087	0.5
163.82201	0.5
165.12811	1.9
167.10707	0.4
183.11574	0.4
191.17738	0.4
193.97285	0.4
197.11903	0.5
203.38086	0.4
209.11845	0.7
227.12901	19.1
238.28697	0.4
307.08594	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
55.98931	0.8
56.27763	0.8
59.01385	49.4
63.17871	0.7
71.01377	17.8
73.02955	1.0
76.48998	0.9
83.01381	1.9
85.02956	6.3
88.53689	0.9
89.02443	21.2
95.01368	1.8
99.08152	25.9
101.02461	12.3
108.84035	1.0
113.02428	7.8
119.03473	7.2
127.07625	3.5
129.09167	1.9
141.09235	1.2
145.08710	64.7
192.13863	0.9
307.14014	100.0
308.14343	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38144	0.8
57.03459	0.8
58.02984	27.4
59.01393	8.3
59.03324	6.0
60.03402	3.9
64.96242	0.9
70.97002	0.9
71.05024	4.2
81.03445	3.8
83.05033	1.2
95.05017	1.4
98.03717	1.5
109.06605	16.0
111.04536	5.2
112.29176	1.1
114.08633	1.0
123.08169	1.5
127.07655	4.3
165.80826	1.0
168.13945	17.0
169.14275	22.8
169.78162	0.9
170.14594	17.6
171.14742	4.6
176.29883	1.0
183.02094	0.9
195.13876	7.7
202.47169	1.1
235.13304	1.3
245.19128	5.1
287.16528	1.7
289.18134	100.0
307.19214	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	307.1917
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.13602	2.6
53.42235	2.9
55.01871	3.8
57.03468	4.7
59.01392	24.3
59.20960	3.6
63.38826	2.8
65.03968	60.2
69.09828	3.1
71.01402	3.9
71.05024	47.7
79.96563	2.8
95.90434	2.9
96.95966	4.9
97.06580	66.1
119.08660	5.9
121.06586	100.0
125.09741	43.8
133.38243	3.3
152.94414	3.6
155.72151	3.1
164.77339	3.5
171.35526	3.4
185.11827	67.9
197.11856	3.9
209.11891	26.8
211.13362	29.7
235.13391	81.2
240.50612	3.8
246.89647	3.2
282.01889	4.0
289.18027	25.8
307.19211	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	307.2645
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
52.66541	0.3
56.40918	0.3
57.85263	0.4
59.01384	0.7
61.92700	0.4
61.98847	0.6
86.19336	0.4
86.25670	0.4
88.29547	0.4
90.08869	0.4
92.11671	0.9
122.00117	0.4
128.52574	0.4
134.99399	0.4
214.38622	0.5
307.26453	100.0
308.26779	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	309.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32803	0.7
51.38554	0.7
52.48678	0.7
54.26466	0.7
55.01888	9.4
59.01387	10.5
59.99696	0.7
61.45431	0.7
68.99774	0.8
71.01381	7.4
72.99310	8.7
73.02943	40.8
75.11235	0.8
76.56970	0.8
83.01376	14.2
85.91756	0.9
93.03420	2.1
99.00863	11.5
99.04517	1.6
101.02430	44.0
115.03963	1.0
119.05015	100.0
127.00375	2.1
127.05132	1.6
128.03519	8.8
145.01428	7.7
146.96652	0.8
161.08212	4.1
163.02536	9.1
163.03993	88.1
177.05588	0.9
180.06694	5.8
220.33418	0.9
229.05029	1.5
255.42619	1.1
291.09970	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	1.4
70.02973	1.2
72.00913	5.6
74.02451	3.5
77.00120	0.7
82.03031	1.1
84.04536	2.9
92.02378	0.7
93.03445	6.3
101.07216	1.6
102.31214	0.7
109.04069	6.3
119.05022	19.5
123.05651	3.8
127.05121	20.9
128.03529	100.0
134.06116	0.8
141.06726	3.1
163.03999	18.5
167.04623	12.7
180.06656	53.9
185.05763	1.0
247.10896	3.5
273.08679	1.0
291.09872	19.4
309.11029	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	309.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	0.9
59.01378	0.8
69.35738	0.7
70.02992	1.2
72.00905	7.7
72.81864	0.6
73.02927	0.9
74.02475	4.8
82.02975	3.5
84.04552	3.4
93.03452	5.9
101.07210	3.1
106.04205	0.9
109.04081	6.5
112.04030	0.8
113.07185	0.8
119.05021	21.4
120.06349	0.7
123.05640	3.7
127.05129	21.9
128.03534	100.0
134.06142	0.8
134.08101	0.7
141.06703	4.2
145.06305	0.8
154.22519	0.8
163.02698	1.2
163.04015	16.6
167.04651	12.1
180.06671	67.0
185.05652	1.4
247.10902	4.1
291.06732	1.4
291.09863	20.2
291.12808	1.2
309.10953	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	309.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64690	0.9
58.02976	1.4
63.92471	1.1
72.00900	6.8
74.02456	4.8
82.02998	1.4
84.04546	2.2
86.02444	1.1
93.03432	5.4
101.07199	1.9
109.04051	7.5
119.05015	20.4
123.05634	3.7
127.05125	25.2
128.03525	100.0
133.87729	1.0
136.07672	1.1
141.06720	5.1
147.86961	1.1
163.04004	19.1
167.04599	13.0
180.06654	66.7
230.10530	1.2
247.10867	4.2
265.12085	1.4
281.91330	1.1
291.09885	19.3
309.10910	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	309.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79522	0.6
55.85926	0.5
58.02979	1.6
66.92429	0.6
70.02985	0.8
71.05021	0.9
72.00920	5.6
74.02475	5.3
82.02972	3.3
84.04518	3.8
84.04984	0.7
93.03430	6.5
99.05614	0.8
101.07175	2.8
106.04226	1.4
107.04999	0.9
109.04068	7.3
119.05025	19.4
123.05635	3.0
127.05123	23.9
128.03531	100.0
134.06137	0.8
141.06694	3.9
146.08237	3.8
151.74312	0.7
152.47006	0.7
163.04021	19.6
167.04628	14.0
178.73332	0.7
180.06671	62.9
185.05684	1.7
219.11378	0.9
247.10887	4.0
269.37756	0.9
273.08832	1.1
291.09915	18.2
309.11038	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	309.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93812	0.6
52.48748	0.6
55.01919	0.5
59.01386	6.1
61.98830	0.8
71.01385	1.6
72.00903	1.0
72.99308	1.6
73.02938	5.3
77.89399	0.8
82.02976	0.9
83.01405	1.4
85.02966	0.8
93.99432	0.7
96.69848	0.7
96.96030	0.7
98.95600	5.7
99.00846	1.0
100.96008	1.2
101.02428	6.3
119.05032	10.6
127.05112	2.8
128.03525	8.9
129.05568	100.0
136.07668	2.9
146.57727	0.7
147.04538	1.0
163.02658	0.8
163.03970	6.1
164.07225	1.6
167.04610	1.3
180.06659	10.5
291.09833	1.5
309.07358	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	309.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19451	0.8
59.01385	100.0
75.10309	1.0
76.56792	0.9
95.16609	1.1
161.13362	4.6
198.46703	1.0
201.84283	1.3
203.86086	1.1
205.12354	37.6
205.14186	2.1
223.13490	1.4
246.35425	1.2
249.11307	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	309.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15789	0.4
52.40983	0.4
58.29752	0.5
59.01388	100.0
61.98819	0.5
66.02030	0.5
70.18303	0.6
72.75070	0.6
73.89992	0.5
75.62997	0.5
108.00458	0.5
150.06837	0.7
161.13368	8.4
205.12357	30.8
223.13358	0.9
249.11366	2.8
255.61002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
59.22268	0.2
59.83833	0.3
64.97028	0.3
66.96273	0.2
68.06157	0.2
71.05007	1.0
79.95732	10.7
79.96198	0.4
80.96508	1.2
94.98058	1.0
95.95239	2.6
96.96003	90.8
97.06564	0.3
98.54611	0.3
122.97585	2.9
128.51552	0.3
138.97089	0.5
181.12445	0.2
183.17513	0.4
185.12000	0.3
265.75558	0.3
266.03699	0.3
280.64160	0.3
291.19711	1.0
302.32407	0.3
309.17453	100.0
310.17917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81995	0.3
59.01384	0.6
61.98822	0.5
71.05019	2.3
77.20303	0.4
79.95728	9.9
80.96508	0.9
82.47112	0.4
93.87183	0.4
94.98065	1.0
95.95212	3.1
96.49471	0.4
96.96003	92.7
97.06587	0.9
100.93662	0.3
106.26539	0.4
121.10204	0.6
122.97574	3.1
181.10147	0.4
185.11969	0.6
197.95067	0.4
290.68591	0.4
291.19644	2.1
294.79346	0.5
309.17447	100.0
309.41010	0.4
310.17731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.37098	2.3
54.82856	2.5
57.03444	18.4
59.01386	27.6
60.93945	2.0
61.98841	3.2
76.81307	2.2
83.05025	13.2
90.05169	2.3
90.43639	2.1
97.02914	9.3
97.06542	3.9
99.08148	46.2
111.92523	2.4
121.10255	3.7
125.09691	4.7
141.12836	3.8
163.11349	3.3
165.12762	2.7
171.10318	5.0
183.13896	5.2
185.11824	41.2
195.10321	4.9
195.13885	5.2
209.11858	72.9
221.15471	5.7
226.83499	2.9
291.19687	36.8
300.18625	2.5
309.17636	3.8
309.20721	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80022	3.0
56.50249	3.4
57.03451	16.7
59.01380	25.1
61.98835	10.3
64.14648	3.5
68.98516	3.8
69.03446	4.1
69.31239	4.6
69.83475	4.7
71.05025	31.2
73.92238	3.7
75.65735	3.4
83.87360	4.4
97.06590	16.6
98.76789	3.9
99.00870	24.4
99.08157	6.6
105.43693	4.0
111.08171	30.3
121.10194	5.4
125.09703	5.5
137.09694	37.1
171.10284	93.5
178.38904	4.2
185.11826	10.2
197.11839	84.0
209.15486	56.2
211.13422	6.5
221.15349	5.8
223.17039	7.8
225.14960	7.9
233.15462	7.5
237.14680	5.1
251.16547	45.1
273.20950	5.7
291.19669	100.0
309.17273	12.3
309.20673	93.5
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	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03456	4.0
58.76083	2.4
59.01382	17.3
60.11381	2.1
61.98846	4.0
64.00971	2.3
64.06424	2.4
66.40771	2.2
70.56264	2.7
71.01380	3.1
71.05019	28.4
72.18761	2.7
88.04044	3.3
92.39166	2.9
97.06576	11.1
121.10246	6.9
125.09731	5.6
129.98595	3.4
132.03061	4.2
137.09686	42.1
144.55566	3.3
147.74728	2.8
171.10287	89.7
181.01221	3.3
185.11777	18.4
195.13936	4.6
235.17032	4.6
239.16481	3.6
240.25597	2.9
251.16588	37.8
291.19699	100.0
309.17368	4.2
309.20798	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	13.9
59.01369	5.4
61.96029	0.8
62.47825	1.0
69.03453	1.5
71.05000	7.2
74.21798	0.8
83.05037	7.1
85.06601	7.6
87.04510	2.1
90.29764	0.9
97.06541	2.0
109.06581	4.9
111.04552	1.3
111.08154	1.9
123.00436	1.1
167.10793	1.7
171.10243	1.1
177.12779	1.1
179.14442	5.0
195.13918	25.8
197.11783	1.1
205.12309	2.0
209.15350	1.1
221.15485	23.6
223.13463	14.0
226.10930	1.0
233.15308	1.0
239.16556	6.3
247.20732	1.2
251.16483	1.9
273.18640	2.3
281.21332	1.7
291.16275	1.7
291.19659	56.0
309.20740	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	309.2077
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
56.55859	2.7
57.03444	16.0
57.29525	3.2
59.01391	25.5
61.98825	15.6
69.03475	4.5
71.05016	6.0
83.05054	9.3
85.06578	5.5
92.11821	3.3
92.65576	3.4
94.46454	3.2
95.04986	3.5
97.02943	11.2
97.06583	3.4
109.06583	4.8
141.12019	3.1
144.93968	2.8
160.18607	3.0
161.17207	2.9
183.13898	5.7
190.39807	2.8
195.13931	31.6
221.15521	25.4
223.13455	21.2
233.15469	4.1
239.16641	6.2
247.20831	3.4
251.16736	4.9
273.18628	5.6
291.19705	85.0
309.15189	34.3
309.20728	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	309.2802
Annotation	Delta2-cis Eicosenoic Acid
Peak:m/z	Relative Intensity
54.82436	0.4
61.77938	0.3
65.97509	0.3
77.07357	0.3
96.95983	2.1
99.00889	0.3
121.76353	0.3
203.38899	0.3
243.80894	0.3
304.74371	0.5
309.18054	2.3
309.28040	100.0
310.28397	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	310.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	4.1
71.01389	11.3
88.04039	100.0
96.99332	0.7
103.55613	0.6
114.01994	5.2
115.00372	17.4
121.46758	0.6
132.03027	83.2
194.15532	0.6
195.13821	4.4
201.87500	0.6
218.95157	0.5
266.17798	2.9
310.16681	21.4
310.20618	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.056
Annotation	CCRIS 3230
Peak:m/z	Relative Intensity
51.40749	0.2
58.01140	0.3
59.01355	0.4
65.00302	0.3
74.67731	0.3
91.01903	0.4
92.12334	0.3
110.00562	0.3
116.78820	0.3
121.02975	0.4
132.02170	7.1
133.02921	0.6
134.03746	0.6
135.00862	0.7
152.94327	0.3
153.01982	0.7
154.04257	0.5
159.56076	0.3
167.05046	0.7
184.05234	1.5
195.04491	4.2
196.05272	1.8
197.05992	0.4
198.03195	0.4
209.06105	1.3
211.04001	9.7
212.04817	1.9
223.04028	4.1
224.04800	3.2
226.02756	2.2
237.05608	1.5
239.03510	15.3
240.04320	5.7
253.05008	2.7
267.03012	15.6
267.06180	0.5
268.03778	100.0
269.04150	0.8
271.06064	0.5
281.04617	0.6
283.06274	0.7
311.05640	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	311.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.4
57.03452	0.5
59.01392	100.0
65.42506	0.3
71.01389	9.4
72.99366	0.5
73.02947	4.3
81.15022	0.3
83.01401	2.9
85.02958	5.2
95.01420	0.6
99.00883	0.8
101.02446	8.0
113.02464	3.5
159.02979	0.4
161.04579	4.2
177.84436	0.4
212.34782	0.4
269.10327	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	311.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
60.15224	0.9
66.84438	0.9
71.01382	1.1
83.46205	1.0
86.77745	1.0
88.04044	6.8
95.46600	1.0
110.10582	1.1
112.76777	1.0
155.11942	2.5
163.48212	0.9
167.11893	9.7
207.13925	36.4
227.14043	3.9
239.13956	10.1
251.12973	5.3
273.12808	12.3
311.22360	1.3
330.74564	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
64.34267	0.4
79.06201	0.5
84.90881	0.4
86.01838	0.4
102.89890	0.5
203.18672	0.5
203.42039	0.4
207.13933	42.1
251.13107	2.0
269.13965	1.6
280.79303	0.4
311.15137	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2021
Annotation	Longithorone K
Peak:m/z	Relative Intensity
51.48978	0.7
52.63497	0.7
59.01387	13.6
61.98825	1.5
67.77534	0.8
70.48991	0.8
72.68257	0.9
73.82001	1.1
78.10006	0.8
92.11730	2.7
93.03448	3.8
98.43230	1.0
100.32654	0.9
120.05795	1.5
135.08163	100.0
149.09625	0.9
152.04787	1.4
163.11282	39.8
183.01199	18.6
196.82729	1.0
205.15977	4.4
251.17847	1.6
251.20178	22.0
292.91327	1.1
311.16815	32.0
311.20212	42.6
311.25500	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	311.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	53.7
132.24063	4.9
146.07188	4.7
179.68619	4.7
183.01186	60.5
216.01071	4.8
251.11377	5.4
254.04172	4.9
277.21896	60.8
311.16855	100.0
311.20535	86.0
311.25919	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	311.2232
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03460	9.5
58.00591	1.0
59.01376	2.5
59.19920	0.4
62.79537	0.4
63.67437	0.4
71.05014	0.5
78.90896	0.4
85.02942	3.1
87.04515	26.4
143.39583	0.5
209.15453	0.6
223.17055	57.6
235.17087	4.9
253.18068	0.8
258.68912	0.5
275.20178	4.1
293.21344	7.6
308.26740	0.5
309.20514	0.6
311.22321	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	311.2232
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.10490	0.7
57.03441	1.3
59.01386	13.0
71.01376	0.8
71.04984	0.7
74.21200	0.8
83.04989	1.0
89.02498	0.7
89.56853	0.8
97.02905	1.1
99.08147	5.5
113.09695	3.1
113.10509	0.6
121.10219	1.3
125.09714	1.5
127.11302	3.3
137.09714	1.1
139.11296	7.2
147.04590	0.9
155.10793	5.1
165.12915	1.1
167.10690	1.0
171.10274	18.2
181.12364	3.1
183.10254	3.1
183.13943	0.9
185.11742	0.9
193.12364	4.1
197.11838	1.8
199.13399	1.8
208.76146	0.7
211.13420	7.0
251.11516	1.3
275.20285	1.1
293.18103	0.8
293.21298	19.1
301.50842	0.8
311.22311	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
58.56630	0.7
59.01390	6.8
68.11327	0.7
71.01332	0.8
71.25563	0.6
80.66531	0.6
80.96838	0.6
99.08143	1.3
101.13480	0.7
113.09711	2.8
125.09721	1.3
127.07618	0.8
127.11286	1.5
129.09172	5.9
139.11288	4.5
149.39505	0.9
153.12814	0.7
155.10744	1.4
169.12367	1.4
171.10266	21.8
179.19421	0.9
181.12378	4.1
183.01210	0.8
183.10268	1.5
183.13867	3.0
185.11841	3.6
193.12421	1.5
197.02753	1.2
197.11812	6.7
197.13365	0.7
199.13435	1.4
201.11339	3.9
211.13409	12.4
275.20126	3.3
293.21268	14.2
311.16666	3.3
311.22321	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	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.83718	1.0
54.82323	1.1
57.03456	18.5
59.01387	15.1
61.98798	1.3
71.01347	1.7
71.34470	1.0
74.61146	1.2
77.09227	1.0
85.06575	1.3
96.10966	1.2
97.06568	2.3
105.68606	1.0
113.09725	53.0
139.11295	5.5
149.09769	1.6
167.10764	6.6
177.12802	4.6
179.10762	6.4
183.01221	31.7
184.01886	2.2
195.13876	11.5
223.13432	8.6
249.22229	9.1
287.41968	1.1
293.21255	100.0
311.16901	54.3
311.22244	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26027	0.6
51.26917	0.6
51.64859	0.6
57.03458	0.9
59.01389	8.5
71.05021	0.9
74.57743	0.7
97.02915	1.0
97.06608	1.0
113.09702	6.5
121.10188	1.2
125.24328	0.7
127.11298	1.5
127.73491	0.7
135.59019	0.8
137.09741	1.2
139.11295	23.2
153.09038	0.7
155.10791	1.0
161.52206	0.8
167.10649	0.8
168.00760	0.8
171.10257	32.0
185.11778	1.0
193.12334	0.9
195.13872	0.7
197.11801	0.9
211.13400	5.9
225.14886	1.7
234.63260	0.7
249.22023	1.0
275.20163	1.7
293.21265	27.2
293.39325	0.8
311.22311	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	313.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20208	0.4
51.34335	0.4
54.60588	0.4
55.01883	4.0
55.52951	0.5
57.03193	1.0
57.03459	20.9
57.35933	0.4
58.85100	0.4
59.01112	0.6
59.01392	11.5
61.76462	0.4
61.98837	3.4
62.38763	0.4
63.80179	0.4
71.01391	4.6
72.99303	3.3
73.02930	0.6
75.00871	3.1
80.93245	0.5
83.01379	4.4
84.02172	1.1
85.02956	100.0
87.00880	2.4
89.02480	0.6
101.02443	2.6
103.00389	1.2
107.05041	0.9
111.00894	4.0
115.00378	0.9
117.05610	0.6
121.02945	8.8
129.01927	7.4
130.08704	3.4
133.06566	0.5
142.74136	0.5
147.02994	12.4
147.04088	0.9
150.23573	0.5
156.89502	2.7
161.08192	0.6
164.95412	0.6
166.93271	9.5
173.00888	1.1
181.07120	0.6
191.01968	12.3
197.04579	1.1
208.94339	3.9
222.13690	0.6
255.16565	0.5
313.05481	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.7
57.03465	18.6
59.01395	9.5
59.71699	0.4
60.48758	0.4
71.01385	3.7
72.99306	2.0
75.00866	2.2
79.45729	0.5
83.01379	3.9
84.02175	2.1
85.02958	100.0
87.00852	0.6
87.59943	0.5
89.02457	0.7
101.02465	1.0
103.00340	0.6
111.00887	3.5
115.00376	0.8
115.38311	0.5
121.02955	7.1
129.01941	5.8
147.02994	10.9
170.40160	0.5
173.00880	0.9
175.04935	0.4
191.02008	12.1
215.41142	0.5
236.20103	0.5
313.05737	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	313.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86666	0.6
54.95998	0.5
55.01882	3.7
57.03459	18.0
58.55930	0.6
58.61747	0.5
59.01390	8.7
71.01399	4.5
72.99299	2.7
73.02950	1.0
75.00861	1.6
83.01367	3.2
84.02163	2.9
85.02950	100.0
87.00850	0.8
88.70061	0.6
101.02443	1.2
111.00874	3.6
115.00408	0.7
121.02957	6.1
129.01958	7.0
147.03030	9.8
156.89493	0.8
160.78973	0.6
173.00970	1.2
191.02022	13.4
313.05603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0723
Annotation	Sylpin
Peak:m/z	Relative Intensity
50.20119	0.1
57.03464	0.2
58.43919	0.1
59.01383	0.8
71.01397	0.2
83.63423	0.1
85.02954	0.8
121.02954	100.0
122.03252	0.3
135.10115	0.1
180.05803	1.2
181.06599	5.2
194.34929	0.2
217.84074	0.2
225.02313	0.2
225.05594	5.4
253.09492	0.2
269.08173	0.6
300.87558	0.2
312.22809	0.2
313.07242	14.7
313.20474	0.3
313.23889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0934
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
55.01872	1.6
57.03459	4.2
59.01396	4.8
60.59256	0.3
60.90025	0.3
61.98838	0.4
71.01385	15.4
72.99311	1.4
73.02947	3.7
75.00893	0.6
77.97723	0.3
78.95906	0.7
83.01382	2.4
85.02950	21.2
86.02452	0.3
87.00874	1.3
88.04028	1.7
89.02464	0.4
95.01383	0.7
96.95997	1.9
96.96951	2.1
99.00844	0.7
101.02432	6.4
107.05031	100.0
110.43119	0.3
111.00887	1.3
113.02441	4.1
115.00389	0.7
115.92058	0.4
121.02969	5.7
129.01984	0.5
140.07184	9.1
143.03474	0.4
147.03073	1.1
151.04027	3.9
153.05573	2.2
154.23787	0.3
159.03053	1.4
161.04572	6.6
191.01973	0.8
197.04593	5.0
216.82091	0.4
245.59142	0.3
313.09317	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	313.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89987	0.4
54.82991	0.4
59.01382	0.6
63.27018	0.5
73.02951	0.7
75.00871	100.0
76.08543	0.5
91.02201	3.0
93.00133	0.7
101.98915	0.5
110.87043	0.6
126.90981	0.5
142.99269	0.5
161.62267	0.6
255.23318	41.0
256.23727	2.7
313.20459	0.9
313.23825	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	313.2388
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
56.80144	0.2
59.01371	0.6
60.39937	0.2
65.06080	0.2
71.01365	0.5
85.02946	0.3
111.08150	0.4
113.09719	1.2
143.10757	1.9
169.12347	10.9
219.78273	0.3
277.21671	1.9
293.21036	0.3
295.22815	20.1
311.22211	2.1
313.23892	100.0
314.24042	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	313.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78399	0.2
53.21318	0.3
53.77221	0.3
55.47480	0.2
57.03456	0.3
57.50945	0.3
58.00614	4.6
59.01378	2.1
59.90834	0.2
72.28803	0.3
85.02938	0.5
87.59615	0.3
97.06577	1.6
99.08148	26.7
111.08164	0.8
113.09673	0.4
123.89321	0.4
127.07603	4.0
129.09210	24.5
134.16743	0.4
150.08014	0.4
183.13902	46.2
184.14203	0.4
186.62068	0.4
195.13954	4.2
201.11331	0.8
210.88707	0.4
213.14865	0.4
277.21661	5.2
295.22791	9.8
313.23874	100.0
314.24167	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	313.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07996	0.8
52.48038	0.8
54.00021	0.9
58.00604	1.2
59.01394	9.5
61.98830	1.4
65.13408	0.9
75.00890	1.1
92.12425	2.5
125.09706	7.5
127.11291	11.2
137.09770	1.4
149.06084	1.6
155.10782	5.2
165.09262	1.7
171.10246	10.7
199.09859	1.6
201.09464	1.8
201.11339	55.2
253.09303	1.5
277.21667	7.8
295.22809	4.3
313.23865	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	313.2389
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
54.24181	0.5
58.53373	0.5
59.01376	3.7
61.98832	1.0
70.09882	0.5
73.52020	0.5
85.02950	1.1
91.02194	2.7
93.00115	0.8
116.92847	0.8
251.23813	80.9
252.24112	0.7
269.24899	2.5
295.22806	32.2
313.23892	100.0
314.24295	2.4
317.95831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49015	0.7
53.52589	0.7
58.02989	1.2
59.01382	4.9
61.01795	1.0
66.45341	0.8
67.03013	6.5
70.02962	5.6
71.01379	4.2
72.00931	1.0
72.04549	1.9
74.02493	0.8
78.61848	0.8
82.02975	24.2
83.89317	0.8
84.04548	4.4
85.02941	1.5
85.04077	14.7
88.04049	6.7
93.95209	0.9
95.18684	0.9
98.06099	1.3
107.02512	1.6
109.04075	37.5
110.02482	1.2
111.05627	1.3
112.02814	2.1
112.04034	3.4
113.03560	5.4
113.07185	5.7
115.00402	1.6
116.05071	18.9
126.45566	0.9
127.05132	86.3
133.42464	0.9
137.09666	1.7
141.06709	62.9
142.06628	5.3
153.06699	4.0
154.12401	3.5
155.10757	1.9
167.59137	0.9
185.05687	39.6
198.11349	7.1
199.09761	1.4
203.08257	4.8
242.18729	5.3
270.12476	23.6
279.80194	1.0
300.43781	0.8
314.11545	100.0
315.11884	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.42395	0.2
55.01880	0.3
56.66042	0.3
57.03453	0.5
59.01376	1.6
61.98832	5.6
69.03442	0.4
71.01379	1.7
73.02945	0.4
75.00874	2.0
80.31339	0.3
81.03435	0.4
83.01396	0.5
85.02966	2.7
87.00880	0.3
93.93967	0.3
95.01355	0.4
96.96014	0.4
101.02458	0.4
108.02171	100.0
109.02959	22.8
113.02455	0.4
121.02899	0.6
123.00827	0.5
123.04504	0.4
126.87044	0.3
151.04066	0.7
152.01151	52.0
153.01929	15.6
159.89325	0.7
163.03993	0.7
165.01990	0.8
166.13669	0.3
174.98981	0.3
176.45697	0.3
255.23308	1.9
315.07248	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
61.98827	0.6
70.51210	0.4
71.01349	0.9
72.15508	0.4
73.02951	0.6
76.32011	0.4
81.03445	0.5
85.02928	2.7
92.11695	0.8
95.01377	0.6
108.02155	100.0
109.02937	28.8
113.86073	0.4
121.02974	0.6
123.00832	0.4
151.03998	0.5
152.01147	53.4
153.00670	0.6
153.01935	15.1
153.98154	0.5
162.17908	0.5
163.03996	1.8
165.01941	0.8
255.23097	0.8
315.07257	49.5
316.07462	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	315.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25900	0.8
57.03453	1.5
59.01363	4.6
59.82191	1.0
64.34816	0.8
71.42705	0.9
72.00915	8.0
72.99291	1.3
73.04053	1.2
74.99065	1.3
82.02980	2.0
82.95401	1.1
84.00857	1.3
85.02919	1.7
88.04009	1.2
91.05492	2.4
95.06125	1.1
96.04511	2.0
96.95969	1.6
98.02455	2.2
100.04017	5.5
108.83734	1.0
112.04014	6.4
113.50694	1.0
116.92791	1.2
118.06598	1.9
122.02365	1.0
123.04547	1.0
127.05087	4.1
128.03535	17.5
130.04988	1.5
130.08731	19.4
132.02899	1.2
139.05049	1.3
143.10976	1.1
143.11897	19.0
145.06120	1.5
146.88544	0.9
147.04483	1.6
150.01746	21.7
152.03293	23.6
152.60164	1.0
153.01854	4.3
156.02905	1.2
164.07184	1.2
166.01390	2.2
167.04387	22.7
168.02747	6.3
179.04303	5.5
187.10728	1.4
209.12917	5.5
211.03358	1.4
212.01698	3.8
239.21741	1.1
242.07996	9.8
253.11795	6.5
255.23260	16.4
269.08896	2.2
269.11392	6.8
271.10635	9.1
297.08414	20.2
297.11121	1.6
315.09476	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	315.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
62.44894	0.3
68.01413	11.3
74.23901	0.3
81.02191	3.1
82.02991	5.6
96.00909	100.0
98.02486	0.3
99.91177	0.3
100.04026	1.8
109.01694	6.0
110.02480	12.7
111.43868	0.3
116.05063	7.8
128.03534	14.1
128.05099	1.2
130.06636	2.3
141.04565	0.3
142.06610	4.4
154.05309	0.6
156.08159	0.6
157.07719	15.6
167.06113	3.6
169.07718	39.5
170.08127	0.3
183.09291	0.6
184.07736	1.1
211.08800	5.8
224.75166	0.3
239.08287	40.9
240.08609	0.4
249.60127	0.3
255.23384	0.7
271.10938	4.7
283.07370	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	315.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34720	0.6
62.87505	0.6
66.87113	0.7
68.09608	0.7
74.60342	0.6
91.02220	1.7
93.01921	0.8
108.47234	0.7
125.09712	0.8
127.11239	3.1
132.94664	0.7
134.98508	0.8
141.12848	5.7
143.10776	0.9
155.10753	1.1
171.10324	5.0
171.13914	1.3
255.23419	3.0
279.23279	1.3
297.24399	8.5
313.23859	10.7
315.25430	100.0
316.25909	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10194	0.5
58.00564	0.7
59.01390	5.4
69.11037	0.5
74.80215	0.5
85.06564	0.9
86.32940	0.5
114.39790	0.6
127.11282	3.5
141.12877	2.3
152.90608	0.5
157.12393	1.0
162.47348	0.6
169.12300	1.0
174.99213	0.6
185.11855	2.8
215.12926	0.9
217.00302	2.6
255.23271	7.9
279.23190	2.8
295.22998	1.0
297.24384	11.0
313.23923	9.0
315.25412	100.0
316.25781	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	315.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17901	0.2
54.46263	0.2
55.51447	0.2
58.00591	1.1
59.01376	0.3
64.34328	0.2
68.63123	0.2
82.94157	0.2
114.38644	0.2
115.75852	0.2
118.88776	0.2
125.09714	1.2
127.11285	4.7
136.94070	0.2
139.11258	0.3
141.12859	6.6
143.10777	1.6
155.10773	1.2
157.12346	0.5
161.34814	0.3
171.10283	3.6
171.13905	1.6
201.11293	1.6
239.23880	0.3
255.23311	1.5
279.23447	2.0
295.22949	1.0
297.24390	11.6
297.27655	0.6
313.23880	6.1
315.25424	100.0
316.25821	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	316.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60899	0.1
59.01389	0.2
61.98838	100.0
64.80227	0.1
68.24086	0.1
74.92868	0.1
96.00920	1.1
212.21436	0.2
221.72130	0.1
223.84912	0.2
240.08910	0.2
253.05222	1.0
255.23343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07421	0.4
58.21880	0.4
59.01385	1.1
67.31747	0.4
71.05003	2.3
78.95896	0.8
82.57938	0.5
88.04038	0.9
96.96003	8.5
96.96931	1.0
97.36169	0.4
98.95579	10.8
98.96404	2.7
99.04510	0.4
99.92577	26.6
100.92759	0.4
100.93358	4.1
113.68835	0.5
115.92065	33.0
116.92850	100.0
117.92850	0.6
120.99619	0.4
125.92873	3.1
128.80275	0.5
136.18857	0.5
138.05594	0.8
141.92426	0.6
142.93141	2.0
142.94322	0.5
144.03041	0.8
146.08250	1.0
153.95981	1.1
157.91835	1.0
157.93112	0.6
168.94698	2.1
169.95448	0.8
170.93907	2.5
171.97072	0.6
187.96609	0.6
196.94202	1.9
198.10553	0.5
198.95848	1.8
202.09932	0.9
208.00685	0.5
212.00172	2.9
226.01706	0.6
238.01759	2.7
239.75548	0.4
251.99713	9.7
254.01147	0.9
256.02820	0.5
282.00726	4.3
318.02881	50.8
319.02975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.14
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
54.82594	0.8
55.01881	1.5
55.93760	0.6
57.03457	1.4
59.01390	54.8
59.01688	1.9
59.34396	0.8
70.03039	0.6
71.01384	24.2
72.99297	2.9
73.02927	2.8
83.01387	3.4
84.02147	0.7
85.02957	9.8
87.00854	1.4
89.02441	20.5
95.01364	1.1
96.84805	0.7
101.02441	13.3
111.08157	27.6
113.02458	7.3
114.38617	0.7
119.03516	6.7
122.06090	0.8
136.07712	7.5
138.05646	4.9
139.07655	6.6
141.09238	1.4
153.09241	1.7
157.08701	71.5
199.09790	1.4
220.84158	0.8
246.36259	0.8
257.12955	0.9
258.92184	0.7
319.14026	100.0
320.14767	0.8
332.92081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	74.8
59.09032	62.4
61.98831	100.0
68.81742	64.1
69.54491	69.0
73.17110	59.0
84.13594	67.6
89.42876	61.5
121.01513	71.2
230.29128	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	1.4
59.01387	8.0
60.00248	0.9
66.03468	0.8
71.01383	7.4
71.97330	0.8
73.04042	1.2
73.17874	0.7
75.00854	1.0
82.02992	7.9
85.04070	63.3
86.02459	1.5
87.05632	14.0
88.04044	11.6
89.96099	0.9
94.16618	1.0
96.96003	4.0
97.04057	1.7
97.06581	0.8
102.00175	7.9
109.04072	5.3
110.68150	1.0
111.01997	1.0
119.02836	7.0
127.05122	16.4
128.03528	100.0
130.08723	5.4
135.05659	7.9
140.07147	1.0
141.06674	1.1
145.06146	7.2
152.08307	8.8
153.06731	4.4
157.06172	63.3
159.07787	1.4
164.89542	2.1
166.06189	8.8
167.04614	1.1
170.09357	1.1
173.05530	0.9
174.02271	16.0
178.06215	2.1
179.04602	7.5
184.04913	1.0
184.07297	8.5
191.04980	4.3
196.06113	0.8
196.07352	12.5
197.05765	0.9
212.05032	1.1
214.08495	1.2
224.10440	1.0
241.10832	4.1
242.11588	1.3
248.07219	2.0
268.09302	7.1
286.10464	23.5
302.08224	6.4
320.09241	65.6
321.06207	6.3
342.97684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90662	0.8
58.02969	1.1
70.02972	0.9
70.84239	0.9
71.01379	9.8
73.04076	1.1
82.02981	6.6
84.04517	1.4
85.04072	64.0
86.02435	1.1
87.05630	13.3
88.04031	9.9
93.22151	0.8
97.04059	1.7
102.00166	9.3
109.04059	5.1
111.47545	0.8
113.03555	1.2
119.02819	5.2
127.05122	18.0
128.03525	100.0
135.05624	8.0
139.05096	1.2
140.74802	0.8
145.06207	5.9
152.08273	10.5
153.06688	3.5
157.06181	59.9
159.07748	1.2
166.06219	9.4
166.07439	0.8
174.02306	14.7
178.06210	3.6
179.04567	7.6
184.04921	1.9
184.07257	4.3
191.04985	5.6
196.07231	12.2
197.05687	2.0
214.08334	1.9
224.10434	1.7
242.11543	1.3
268.09485	7.4
286.10443	23.3
302.08249	6.3
305.45224	0.9
320.09225	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29118	0.6
59.01384	3.5
61.98830	1.5
70.60950	0.7
116.92873	1.2
128.03546	0.8
216.27585	0.8
277.21735	100.0
278.22018	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	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.03452	0.8
58.00599	1.2
59.01387	57.9
59.04335	0.6
71.01379	23.7
71.36240	0.6
72.99294	1.1
73.02949	0.7
83.01369	1.8
84.02131	0.7
85.02931	5.4
87.00855	1.3
89.02437	21.6
92.11815	1.0
95.01375	1.6
101.02439	14.6
113.02429	8.4
113.09720	40.1
119.03467	7.3
141.09261	6.9
143.10773	1.1
151.64449	0.8
155.10762	1.9
159.10260	73.1
201.11343	1.2
236.11147	0.8
249.71886	0.8
321.15573	100.0
322.15854	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	322.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22689	0.2
56.00756	0.2
56.53191	0.2
56.98053	0.2
57.27657	0.2
58.88393	0.2
59.01374	1.5
70.02965	0.3
71.01377	5.5
71.39419	0.2
72.00887	0.5
85.02911	0.3
88.04031	41.6
89.02404	0.4
114.01962	3.3
115.00365	14.9
132.03014	100.0
159.30963	0.2
163.11327	1.1
174.99716	1.0
175.03535	0.3
215.79918	0.2
258.27097	0.2
322.12976	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	322.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30053	0.6
79.28845	0.7
99.96303	0.7
100.34208	0.6
107.98273	0.7
119.26941	0.6
186.58249	0.8
187.40491	0.7
279.23303	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	322.2391
Annotation	Pumiliotoxin B
Peak:m/z	Relative Intensity
55.61053	1.0
59.01376	4.9
61.98851	1.2
63.05335	1.1
67.66923	1.2
71.01388	1.4
80.02666	1.3
85.06581	1.8
100.59348	1.2
109.02991	1.2
116.11002	1.1
117.32844	1.1
123.04482	9.1
135.26622	1.3
137.09744	1.3
143.85904	1.1
147.74059	1.2
156.04362	1.8
165.09175	10.1
165.12877	5.2
189.12735	1.4
193.12393	2.2
235.15672	2.0
267.13153	1.4
304.22839	68.8
305.21207	32.3
322.23907	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	323.2229
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
59.01376	5.4
68.64841	0.7
71.66789	1.0
87.99228	0.8
93.92685	0.8
121.02885	1.3
123.04500	1.1
137.06021	1.0
165.09212	1.3
165.12814	1.4
259.65198	1.0
261.22220	5.6
305.21228	100.0
323.18555	1.9
323.22220	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61855	0.3
52.19560	0.3
53.46229	0.3
59.01384	0.4
93.17940	0.4
123.04533	1.9
137.06055	0.7
137.09677	0.5
139.03984	0.4
156.04305	0.6
165.09198	3.0
165.12857	0.9
165.70642	0.4
179.43037	0.3
193.12318	0.8
261.22342	4.1
269.13898	0.4
279.23389	0.6
287.20074	0.5
305.21262	100.0
306.21677	1.8
309.02042	0.4
323.22333	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	323.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
63.75256	0.3
63.85044	0.4
67.04949	0.3
71.01403	0.4
85.06577	2.3
104.46704	0.4
125.09765	0.4
151.11278	2.9
171.10268	10.2
193.15953	2.3
209.15363	0.8
219.13971	0.6
222.32619	0.3
237.14970	19.2
305.21249	5.5
321.20813	0.5
323.22308	100.0
324.22681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.223
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
52.22073	0.3
54.54810	0.3
54.82924	0.3
59.01390	0.4
60.33677	0.3
62.71152	0.5
109.02908	0.5
111.08125	0.4
123.04520	0.6
130.35379	0.4
137.06071	1.7
151.07657	0.7
165.09221	3.2
165.12839	2.0
167.14423	0.7
168.88905	0.4
183.48219	0.4
189.12848	0.5
193.12367	0.6
217.15944	0.7
225.14955	0.5
235.13432	0.4
249.90778	0.4
251.16220	0.4
261.22226	4.3
263.69327	0.5
268.89694	0.4
279.23251	0.5
287.20258	0.6
305.21255	100.0
306.21600	1.9
323.18600	0.9
323.22305	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	324.1454
Annotation	Monocrotaline
Peak:m/z	Relative Intensity
58.02983	34.4
59.01382	7.9
69.89705	0.5
70.02982	0.7
71.01377	12.6
86.06129	0.9
88.04038	100.0
99.50568	0.4
112.04090	0.5
115.00369	15.6
130.05101	5.3
130.08833	0.5
131.85419	0.5
132.03030	15.1
149.09743	0.9
162.12897	1.8
190.12384	1.0
194.82639	0.5
206.11780	0.7
208.13441	3.4
209.11870	9.8
229.45143	0.5
264.12393	1.8
280.15573	11.3
306.13394	0.6
324.14566	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.7
71.01373	0.4
75.78527	0.2
76.56658	0.2
76.98563	0.2
79.99625	0.1
90.50536	0.2
99.04551	0.2
119.05035	0.2
120.86015	0.2
130.08733	100.0
131.09064	0.4
137.26198	0.2
161.08098	0.3
162.08543	0.2
225.17795	0.2
323.96741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14222	0.7
60.10590	0.7
62.88967	0.9
70.37967	0.8
70.79463	0.8
80.63367	0.8
92.11715	2.5
112.70309	0.8
116.92889	1.3
118.35348	0.8
119.05079	1.5
182.11900	1.2
183.01225	25.7
197.02811	1.6
216.01030	0.9
217.56001	1.0
281.24887	100.0
311.22519	0.9
325.18475	41.9
330.64557	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1078
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
58.03000	0.3
59.01390	3.1
63.73415	0.3
71.05019	0.5
72.99292	0.4
78.95889	1.2
79.95728	13.6
80.96513	8.3
87.05624	0.6
91.57441	0.3
97.04036	0.4
102.24839	0.3
106.98091	13.1
112.04012	0.5
114.05597	1.9
115.05120	1.6
119.05018	3.5
124.00736	59.2
130.08757	1.4
134.04718	1.7
142.38991	0.3
146.08261	0.7
154.31754	0.3
162.27150	0.3
163.04054	1.5
164.97250	0.4
178.01823	6.7
180.51357	0.3
195.04468	33.6
219.08350	0.3
223.03979	17.6
251.03447	1.5
307.09793	0.5
310.06131	0.3
325.10794	100.0
326.10977	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36736	0.3
55.01881	0.4
59.01388	100.0
61.04557	0.3
61.98841	0.5
70.96510	0.3
71.01391	3.6
72.00892	0.6
73.02954	1.3
82.95422	2.3
83.01400	0.5
85.02961	2.0
88.98781	0.4
89.02444	0.6
96.96024	0.3
99.00891	1.5
101.02441	4.5
107.05107	0.3
109.02956	0.4
113.02442	2.3
115.64471	0.3
119.05022	9.4
119.05810	0.4
119.70758	0.4
134.04726	12.2
134.05669	0.5
147.03531	0.5
147.04504	3.6
153.01337	0.5
161.04593	3.9
163.04007	5.5
164.07179	7.7
245.14417	0.3
265.12961	7.8
265.15527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
65.49551	0.4
71.01379	4.0
73.02926	0.6
74.98423	0.4
82.95478	0.4
85.02953	1.8
89.02467	0.6
92.12373	0.7
101.02433	3.4
113.02461	1.5
119.04970	3.3
134.04718	0.7
143.30214	0.4
161.03432	0.3
161.04507	3.6
163.04066	1.9
168.92229	0.3
187.61929	0.4
265.12946	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
51.48529	0.4
56.59151	0.4
57.03444	2.6
58.00580	0.9
59.01385	6.0
69.03454	1.1
71.01378	0.7
71.05025	11.8
75.74716	0.5
77.98360	0.5
83.05021	0.7
84.02159	0.9
84.67991	0.5
87.04517	1.1
95.04949	0.6
97.06590	0.9
99.04510	21.7
101.06068	4.3
109.06567	3.9
121.40302	0.5
123.08144	1.1
125.06017	0.5
134.04732	6.3
149.09799	0.5
165.06662	0.6
167.10751	0.9
169.12378	0.7
179.14272	0.7
181.12383	3.3
182.61957	0.6
183.01210	2.5
189.12892	0.6
193.15984	1.2
195.13939	2.5
197.11783	3.7
197.15471	2.9
201.11525	0.6
207.13893	4.0
209.15547	5.1
211.13339	1.9
219.13951	3.6
223.13406	0.5
225.14990	26.1
235.13434	0.6
237.14969	14.7
245.19119	0.8
289.18115	12.7
307.19223	1.1
316.64731	0.6
325.14542	2.6
325.20245	100.0
326.20535	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2023
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03436	2.3
58.00597	2.2
59.01380	7.4
69.03444	2.4
71.05013	10.3
74.07784	0.5
81.03445	0.9
83.05002	2.5
84.02150	0.7
87.04510	1.2
95.05032	0.6
97.02943	0.8
99.04504	21.4
101.06084	5.5
109.06582	3.0
123.08098	0.8
134.04723	9.9
137.24898	0.6
157.23958	0.5
169.12325	0.6
170.96271	0.5
179.14369	0.5
180.84938	0.5
181.12360	3.5
183.01184	2.6
193.12302	0.6
193.15973	1.0
195.13892	1.9
197.11845	3.0
197.15503	2.8
201.11284	0.6
207.13902	5.1
209.15488	5.8
211.13463	2.1
216.53818	0.5
219.13910	2.9
225.14978	29.7
226.15410	0.8
235.13281	0.7
237.14955	15.1
244.88898	0.5
249.15042	0.9
271.16943	0.6
289.18143	12.5
307.19180	2.4
325.20221	100.0
326.20560	4.1
348.47256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2176
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
98.13262	0.3
112.17827	0.3
114.69670	0.3
134.04695	1.9
149.09726	93.1
150.10085	0.4
163.11293	100.0
164.11569	0.5
183.01195	1.5
221.91089	0.4
222.23505	0.3
268.39676	0.3
321.90375	0.3
325.18564	3.6
325.21774	71.6
326.22177	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2177
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
54.82655	0.4
59.01383	1.4
60.37276	0.3
60.60722	0.3
74.88886	0.3
92.11827	0.5
130.98849	0.4
133.06607	2.7
134.04749	3.7
147.08191	1.9
149.09723	100.0
150.10110	0.7
163.11293	99.4
164.11658	0.7
183.01222	7.9
209.72513	0.4
317.35931	0.4
325.18384	10.5
325.21768	77.7
325.27771	2.3
326.22089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2751
Annotation	8,9-EE-14(Z)-E
Peak:m/z	Relative Intensity
53.63864	1.0
54.82684	1.1
59.01377	1.6
64.37841	0.9
76.57744	0.9
79.95705	1.3
86.72696	1.0
92.11687	3.8
134.04724	19.7
139.22832	1.3
149.09717	8.6
183.01195	22.6
199.13396	10.2
216.00958	1.2
248.50430	1.2
249.77618	1.1
307.26459	13.3
325.18466	30.5
325.21390	2.7
325.27502	100.0
326.19037	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	325.2751
Annotation	2-Oxophytanic acid
Peak:m/z	Relative Intensity
50.43815	1.6
54.82988	1.7
59.01374	3.1
71.05017	2.4
86.06091	2.1
116.92857	2.1
132.91789	1.7
134.04712	11.0
153.20705	2.6
183.01248	21.3
185.20554	1.8
199.13333	3.1
221.61180	1.8
237.22226	2.6
239.23828	67.7
279.26926	7.4
281.28571	38.8
307.26447	9.0
325.18481	44.5
325.27505	100.0
326.18686	2.3
326.27795	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	326.1613
Annotation	Cropodine
Peak:m/z	Relative Intensity
52.29777	0.3
58.02988	5.8
59.01392	3.2
70.02971	0.7
71.01381	14.0
88.04040	100.0
96.99313	0.9
98.02457	1.8
104.17745	0.3
114.02010	0.6
115.00372	18.5
116.05048	0.9
132.03012	9.4
134.04724	6.8
137.11345	0.4
142.06648	0.5
192.13918	4.7
210.15009	4.9
211.01382	0.4
211.13425	18.0
241.09746	0.8
264.16104	1.8
271.13208	0.4
282.17154	16.8
308.15030	2.5
326.16150	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.3
61.98853	0.3
63.27227	0.3
69.23520	0.3
75.00829	0.3
88.04037	100.0
107.32253	0.3
116.92857	1.6
132.86655	0.3
133.01955	0.3
134.04750	3.0
162.31725	0.3
183.01277	0.4
198.85883	0.3
227.20212	1.2
228.20503	5.7
282.28101	0.5
325.27533	1.3
326.18802	1.9
326.27072	38.3
326.45032	0.3
327.12604	0.6
327.29221	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	326.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37787	1.2
58.02988	1.4
59.01379	11.0
60.97113	1.5
69.46659	1.5
78.99268	1.4
88.04037	59.3
104.28156	1.4
115.86332	1.6
134.04733	41.9
134.05702	2.9
142.23326	1.7
172.46725	1.7
179.35927	1.6
208.54497	1.7
213.59171	1.7
254.24911	77.0
298.23959	9.0
308.61053	1.7
308.84280	1.7
326.18689	10.2
326.27039	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	327.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01664	0.6
55.01891	8.0
55.60157	0.5
57.03192	1.1
57.03458	29.5
59.01393	9.3
62.85994	0.6
67.01866	1.5
68.57993	0.6
71.01391	7.3
71.30521	0.7
72.99306	1.6
73.02932	2.9
75.00865	0.9
76.57093	0.8
78.95921	1.0
79.95734	1.6
83.01394	12.8
84.02130	1.2
84.95129	1.5
85.02953	100.0
87.00880	6.9
89.02457	1.2
92.65070	0.8
96.96005	11.6
99.00879	1.3
101.02462	5.6
111.00887	18.6
118.94194	21.6
121.02956	34.9
129.01941	36.9
134.04713	4.3
136.95222	3.2
147.04518	4.1
153.05525	4.5
161.04491	1.3
161.19850	0.8
173.00917	0.8
176.59428	0.7
197.04547	5.7
203.18921	0.7
205.03542	12.2
245.04788	1.5
267.03070	20.0
327.05084	24.2
327.10883	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	327.099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77787	0.9
51.44149	0.8
52.07027	0.9
54.90174	0.9
55.01883	1.6
59.01386	21.7
59.52894	0.9
65.99848	1.1
66.03504	1.3
68.01407	1.7
69.03459	1.2
70.02962	2.5
71.01370	4.3
71.90816	1.0
73.02931	2.4
78.31686	1.5
82.02987	1.3
82.99595	2.6
83.01376	2.8
84.04545	9.0
85.02953	24.5
92.05050	1.3
94.02977	18.7
96.00904	9.7
97.23649	1.2
98.02471	100.0
98.06104	6.3
110.02472	35.7
110.06102	1.3
112.04044	45.9
116.05061	41.8
122.02514	1.4
125.02424	6.6
126.05585	1.8
130.06638	2.7
134.04750	4.7
136.04039	4.8
140.03540	17.3
140.05133	1.6
142.06631	9.9
154.05333	14.2
156.08243	4.8
157.07707	14.2
166.05133	1.8
167.06143	11.7
169.07712	2.7
171.10353	2.6
179.10857	6.0
180.06912	6.2
181.07719	25.1
182.08429	2.8
183.09264	17.7
193.07706	1.6
195.09212	1.3
209.07210	47.0
213.10532	1.2
214.08887	1.8
221.10732	2.0
221.34630	1.2
223.08708	9.1
229.06390	1.5
239.08350	9.1
239.11916	1.4
241.09837	89.4
242.10068	1.6
244.18268	1.2
255.11409	5.0
265.09842	5.5
283.10910	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	327.1087
Annotation	Paeonoside
Peak:m/z	Relative Intensity
51.07927	0.6
55.01860	0.9
57.03445	1.4
58.00600	0.7
58.65635	0.5
58.79547	0.6
59.01386	42.6
61.98840	4.4
68.73319	0.7
71.01379	12.2
72.99303	1.3
73.02940	3.0
74.02464	0.7
83.01402	2.5
85.02956	11.3
88.08466	0.5
89.02438	10.7
90.58500	0.6
92.11769	1.2
93.03452	3.9
99.00871	0.6
101.02435	8.5
104.03536	1.0
111.00902	1.2
113.02425	3.6
117.65327	0.5
119.03503	3.8
119.05017	3.0
121.02946	2.8
121.06609	4.4
124.35145	0.6
129.01935	1.3
131.74590	0.6
132.04485	1.4
134.04750	1.1
147.04527	100.0
148.04893	2.4
154.24731	0.7
163.04042	1.4
165.05565	50.6
166.05885	0.6
179.05522	0.8
183.87566	0.7
205.03407	0.6
209.03101	1.2
283.07053	1.1
327.10641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55686	0.5
59.01385	100.0
67.05524	3.9
70.76308	0.5
92.11700	1.0
93.65734	0.5
94.04314	0.5
100.21666	0.5
109.07143	0.5
112.13922	0.5
124.05286	2.3
135.11790	3.1
137.09691	1.0
161.09714	0.6
166.81274	0.5
179.10774	71.9
181.08736	2.3
197.11882	1.2
223.09758	5.9
241.10815	2.5
274.31439	0.6
283.11877	1.0
309.36295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61513	0.7
54.82605	0.6
57.03455	6.8
59.01380	4.4
71.05013	0.8
85.02942	1.4
87.04525	12.8
94.17857	0.7
99.06187	0.8
110.52910	0.7
123.31113	0.7
177.16466	1.0
179.14450	1.0
181.12416	0.7
184.43489	0.7
195.13905	19.2
197.11800	3.3
221.15457	29.0
222.94086	0.8
224.52750	0.7
239.16551	58.0
240.16827	1.0
291.19647	11.1
309.20700	6.4
327.21805	100.0
328.22150	1.1
334.59222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73280	0.6
55.01887	1.3
57.03455	6.3
64.97590	0.5
69.03465	9.0
69.62169	0.6
71.01366	0.9
72.44869	0.6
75.29469	0.5
78.03488	0.5
82.09815	0.6
84.02164	1.0
85.02962	25.5
97.02938	3.4
97.06583	2.8
119.08676	1.3
127.11292	1.5
137.09729	9.6
171.10277	52.5
183.13881	1.1
184.34949	0.7
188.89337	0.7
201.11345	2.8
210.98125	0.6
211.13445	6.7
221.11934	1.1
229.14427	1.3
291.19839	2.0
317.52356	0.6
327.21811	100.0
328.22192	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29067	0.4
51.96259	0.4
54.20084	0.5
55.01870	0.9
57.03459	5.4
57.96221	0.6
59.01375	3.2
62.39605	0.4
62.55890	0.4
63.35101	0.4
71.01382	5.1
71.05008	3.8
78.94251	0.5
84.02146	1.1
85.02955	7.6
85.06593	6.9
86.63886	0.5
88.69707	0.5
95.05006	2.4
97.06583	16.9
100.63688	0.5
107.05012	0.7
115.07652	1.2
125.06113	3.6
126.41502	0.6
128.29704	0.5
144.48315	0.5
183.13890	26.6
193.12456	0.9
195.13902	1.3
197.38307	0.5
211.13423	21.7
251.16548	2.7
291.19846	4.0
309.20691	1.1
315.42599	0.5
327.21811	100.0
328.22186	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88139	0.7
54.20130	0.8
54.39977	0.7
57.03450	12.0
58.00584	0.8
70.71846	0.7
73.19427	0.8
73.93378	0.8
76.94532	0.8
85.02951	1.1
87.04511	8.9
92.11713	1.5
106.28010	0.7
118.65427	0.7
134.64168	0.9
145.20985	0.9
146.03816	0.8
179.14418	1.6
180.82915	0.8
181.12294	1.3
185.29137	0.8
195.13890	8.0
221.15442	8.3
239.16525	88.5
291.19580	11.5
309.20862	3.8
327.21796	100.0
328.21951	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	327.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59617	7.0
57.03452	10.3
57.61057	8.9
59.01377	53.3
60.65121	9.4
60.78104	8.2
61.98818	13.6
65.33755	8.9
69.03468	10.8
71.05000	9.8
80.02680	12.0
83.05019	10.6
97.02948	10.2
97.06547	9.7
114.38289	10.9
125.09704	12.4
129.94347	10.2
134.04721	23.3
137.09711	100.0
139.11284	14.9
153.09276	11.6
154.80771	10.1
155.10771	10.4
163.11345	10.9
167.10701	13.1
171.10292	87.0
190.01460	9.9
193.12320	10.4
209.11777	17.6
256.10117	10.0
291.19693	56.5
327.21902	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	327.2909
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
57.70676	0.2
58.72615	0.2
59.01373	1.1
87.14444	0.2
92.12370	0.3
93.10200	0.2
134.04732	0.4
138.59055	0.3
141.12859	1.2
145.40944	0.3
167.14302	0.3
169.16042	1.2
281.25439	0.3
281.28494	1.5
299.26105	0.4
305.64081	0.3
306.36060	0.3
309.28131	2.8
325.27640	0.9
327.29089	100.0
328.29346	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	327.291
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
58.39178	1.3
58.59204	1.3
59.01387	100.0
62.63756	1.3
68.13789	1.4
71.60085	1.2
96.38705	1.3
109.82829	1.4
111.19763	1.4
120.38958	1.7
143.18091	1.5
295.22858	2.0
327.25174	2.2
327.29099	65.7
328.29419	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2908
Annotation	L-2-Hydroxyphytanate
Peak:m/z	Relative Intensity
55.50138	0.2
57.03450	3.1
59.01382	3.2
69.03452	2.3
71.01357	0.4
71.05020	10.6
71.73937	0.3
85.06575	1.6
87.04530	0.5
97.06522	0.3
113.02464	0.3
121.78259	0.3
180.81290	0.3
220.54213	0.3
237.22194	1.3
239.23804	9.0
253.25388	13.7
265.25327	0.4
267.23273	5.1
281.28497	19.9
309.28024	1.9
325.27478	1.5
327.29083	100.0
328.29376	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23587	0.5
59.01384	61.6
66.81936	0.5
77.73478	0.5
78.95885	2.3
81.25404	0.6
81.62666	0.6
99.66023	0.5
115.02502	2.4
117.00450	7.8
126.98913	1.2
134.02281	0.6
143.01955	1.1
144.99890	0.9
157.03615	0.6
159.01491	100.0
160.01613	1.3
166.62521	0.6
168.99931	0.7
185.01129	0.6
187.00981	96.3
188.01245	1.3
201.02591	15.5
322.77145	0.6
329.02151	2.4
329.23730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.98836	100.0
66.70847	0.2
67.37006	0.2
73.68945	0.2
76.58245	0.2
80.30226	0.2
85.02957	0.4
86.15365	0.2
98.07744	0.2
134.04724	3.9
135.05110	1.3
167.03548	0.2
179.55252	0.2
181.40175	0.2
298.52560	0.2
301.87244	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01377	1.9
65.63375	0.4
66.95753	0.4
71.01376	0.7
80.02685	0.5
85.02940	3.9
95.01419	0.6
96.95996	0.8
101.02424	0.5
108.02167	90.9
112.82004	0.4
115.00451	0.4
123.04507	34.0
125.02400	1.0
152.01151	59.3
167.03487	100.0
257.25085	0.5
329.08594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01380	0.4
65.00321	0.6
76.58141	0.3
81.03451	6.1
83.01396	3.1
95.05026	1.1
102.62803	0.2
107.01392	1.2
123.04510	42.5
125.02436	7.1
139.04131	0.4
149.02393	0.5
151.00383	2.0
163.03978	0.4
167.03487	100.0
168.03851	1.1
191.03500	0.4
209.04561	0.3
329.08789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0883
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01910	0.4
57.03455	0.9
58.43648	0.5
59.01381	6.1
61.98841	61.6
71.01364	2.3
72.00903	1.4
73.02939	0.6
75.00883	0.6
85.02950	5.3
87.00869	1.1
87.62861	0.6
89.02467	0.7
94.02956	1.0
96.95999	3.0
96.96987	0.7
101.02411	0.6
108.02174	96.3
113.02396	0.6
119.03510	0.6
121.02929	0.6
123.04513	39.3
125.02445	1.0
128.03522	1.2
137.03575	10.9
147.04524	6.2
152.01157	61.4
163.89627	0.7
164.07204	8.9
167.03494	100.0
169.96051	0.6
172.82652	0.6
174.05040	0.6
174.47481	0.6
191.01999	1.0
209.02957	0.7
301.20517	0.6
329.08575	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	329.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14150	0.5
59.01387	100.0
69.04504	0.6
73.02974	0.7
75.77948	0.6
80.76836	0.5
92.11719	1.7
139.11290	1.1
181.12343	85.7
182.12755	0.9
183.10318	1.0
192.60745	0.7
201.15614	0.6
225.11331	12.4
225.14864	1.4
243.12405	3.5
285.13495	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	38.3
71.01356	17.1
93.00713	17.8
218.40536	16.0
221.15446	25.0
275.20102	35.8
293.21210	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	329.2336
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
54.11435	0.5
57.03457	0.8
58.00597	1.4
59.01388	6.9
59.14683	0.6
59.14976	0.6
61.98832	0.8
79.35559	0.6
83.05042	0.8
92.11677	1.3
98.14650	0.7
99.08172	6.0
99.08698	0.7
100.78693	0.6
125.09696	2.9
127.07667	1.0
127.11325	5.8
129.09218	3.6
139.11317	5.2
155.10800	1.1
169.12347	4.4
171.10278	18.7
179.29854	0.7
181.12392	3.5
183.13989	1.5
185.33092	0.7
199.13449	13.4
201.11340	15.2
211.13438	8.4
216.92496	0.7
275.20059	1.2
293.21280	4.2
311.22345	3.5
329.23386	100.0
330.23724	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	329.2335
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
50.87399	0.3
51.75743	0.3
54.63722	0.4
58.00595	2.4
59.01385	4.4
60.33598	0.4
64.70679	0.4
65.29282	0.4
77.48932	0.4
78.17688	0.4
97.06556	0.5
99.08150	11.8
108.60210	0.4
127.07656	0.8
129.09212	9.5
138.55354	0.4
167.14461	0.5
169.12334	6.0
181.12361	6.1
183.13953	1.0
192.22455	0.4
193.12378	2.6
197.11855	3.4
199.13420	24.1
200.54129	0.5
201.11530	0.4
211.13414	15.9
227.12943	0.5
229.14383	2.1
248.36624	0.4
275.20322	0.7
277.70566	0.5
284.62912	0.5
293.21301	5.5
311.22366	2.8
329.23376	100.0
330.23724	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	329.2336
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
57.03451	1.0
60.03150	0.5
63.03173	0.7
76.42327	0.5
90.63766	0.5
97.06561	0.6
99.08152	9.4
125.09688	2.4
127.11275	5.4
139.11292	5.7
155.14485	0.6
167.14400	1.2
167.97112	0.6
171.10269	16.0
183.13918	7.0
193.12331	2.7
209.11766	1.4
211.13417	42.2
212.13693	0.6
229.14473	21.0
293.21274	1.1
311.22360	1.0
328.22351	0.6
329.23355	100.0
330.23654	2.4
351.51654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18885	0.9
59.01380	4.1
60.59563	0.9
76.57655	1.1
85.47041	1.1
86.02468	8.2
120.01241	35.4
147.11804	15.1
165.12866	1.7
182.68256	1.0
191.10751	1.5
195.00496	1.2
209.11852	54.2
219.11411	1.1
243.10596	73.0
268.13446	1.1
320.91623	1.4
330.13843	100.0
331.14218	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	330.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	2.1
59.01382	3.7
60.05456	0.8
87.33515	0.8
99.08155	9.7
109.02697	0.9
109.36833	0.8
110.20721	0.9
127.07576	1.0
129.09195	8.3
130.09586	3.0
134.66566	0.9
140.34343	1.0
147.89030	0.9
169.12355	4.4
170.12720	4.4
181.12311	4.9
182.12671	2.0
184.14287	1.3
197.11797	4.1
198.12119	1.4
199.13409	18.7
200.13771	14.0
211.13458	10.8
212.13744	9.6
230.14699	1.0
233.94989	1.0
294.21591	5.1
312.22702	3.8
329.19653	1.0
329.23337	32.4
330.23709	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	331.0673
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.83609	0.4
54.24834	0.4
58.26943	0.5
58.43148	0.5
60.60746	0.5
61.98827	0.5
65.66547	0.5
69.03448	4.2
81.03423	0.9
82.34399	0.4
83.01372	1.0
92.12305	0.8
95.01376	0.7
96.95955	0.5
97.02936	3.8
100.62975	0.5
107.01376	2.1
123.00884	6.4
124.01642	21.6
125.02431	81.4
130.88937	0.5
137.02411	0.7
149.99582	42.3
151.00342	3.1
167.03455	0.7
168.00632	77.9
169.01389	5.8
201.12009	0.6
202.81862	0.5
266.90891	0.5
313.05670	8.3
331.06732	100.0
332.07095	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	331.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	52.4
83.70340	0.4
85.02946	0.7
85.04075	0.5
100.03961	0.4
102.05608	3.3
128.03528	0.5
128.06451	0.4
140.14519	0.4
146.04568	0.7
165.12846	0.5
167.11894	2.5
173.33385	0.4
183.13907	100.0
184.14334	1.4
185.11844	4.5
227.12889	5.4
245.13867	1.5
253.15645	0.6
276.81580	0.4
287.15042	2.2
297.14648	2.6
331.13406	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	331.1554
Annotation	Gibberellin A61
Peak:m/z	Relative Intensity
51.13703	1.1
53.22956	1.0
59.01382	5.5
61.00393	1.1
64.33673	1.1
65.84334	1.2
69.83076	1.0
71.05030	100.0
101.09554	1.2
109.03501	1.3
127.11277	1.4
135.49081	1.3
139.63464	1.1
151.00392	6.0
157.12471	1.3
215.18233	1.3
241.16048	8.5
243.17607	14.5
269.15616	10.1
287.16507	29.0
313.24017	2.1
329.23398	1.7
331.15552	73.6
331.24884	30.2
335.73578	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	331.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03446	1.4
59.01388	100.0
71.01382	10.5
73.02930	4.3
73.84095	0.6
82.26382	0.6
83.01376	1.0
85.02950	5.9
92.12386	0.8
99.00870	1.3
101.02421	6.5
113.02454	3.2
127.07728	0.8
135.22014	0.6
161.04579	3.2
179.65764	0.6
181.88264	0.6
190.43820	0.8
274.84201	0.9
289.16653	4.2
331.19406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20907	2.1
53.55366	2.4
59.01108	4.8
59.01387	100.0
61.98827	5.8
71.01382	5.6
75.45187	2.6
85.02949	3.8
87.00854	2.9
171.38770	3.0
175.90657	2.9
290.58344	3.2
294.73230	2.8
331.19186	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	331.2494
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
50.59654	0.3
51.61443	0.3
54.73305	0.4
57.03452	0.4
58.00591	0.7
59.01380	0.8
68.14909	0.4
71.05013	0.4
73.02933	0.4
88.04058	0.4
125.09721	1.8
127.11282	8.3
143.10837	1.5
155.10783	2.0
157.12358	4.7
171.10242	3.8
187.13403	1.7
201.11334	2.2
217.06538	0.4
272.48175	0.5
295.22845	2.0
311.22379	0.7
313.23947	8.8
329.23361	5.0
331.24948	100.0
332.25385	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	332.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18621	0.1
61.98834	100.0
66.29116	0.1
68.39401	0.1
83.76064	0.2
143.32379	0.2
145.69939	0.2
164.43356	0.2
186.80115	0.2
195.48418	0.2
211.36356	0.2
223.92737	0.2
243.84592	0.2
269.04645	3.0
321.93677	0.2
331.52832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1257
Annotation	Oglufanide
Peak:m/z	Relative Intensity
53.20892	0.6
55.25841	0.5
55.31288	0.4
57.33279	0.5
59.38930	0.6
70.02965	0.6
70.85325	0.6
72.00907	5.2
73.61362	0.6
74.02473	12.8
82.02974	3.3
84.04552	3.9
85.04090	1.5
86.02418	0.8
101.07201	2.7
109.04078	4.0
113.07230	0.8
116.05056	29.1
123.05630	2.6
127.05135	12.9
128.03532	100.0
130.06622	0.7
141.06709	9.0
142.06599	9.1
159.09265	7.0
167.04611	14.7
182.12047	0.6
182.54605	0.6
185.05690	5.1
186.05693	1.2
203.08286	44.3
270.12576	2.8
314.11554	15.3
315.28940	0.7
332.12711	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	332.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53349	1.3
53.92391	1.3
54.82430	1.8
59.01378	11.7
61.98826	1.6
71.48329	1.4
72.00874	6.5
72.99287	2.3
73.04047	8.0
74.02464	15.2
76.06179	1.8
78.95894	12.5
84.04534	23.1
85.02927	2.7
87.11333	1.6
88.00384	2.3
89.02426	2.1
96.96019	5.1
96.96921	3.3
102.05595	49.5
109.04015	1.8
113.07192	7.8
114.44539	1.6
115.08752	10.3
116.05064	32.8
127.05096	1.9
128.02625	3.2
128.03523	66.0
129.05576	8.5
130.06631	19.8
141.06664	10.4
142.06625	21.9
143.11827	2.7
146.04570	3.6
152.99574	8.5
157.07707	7.6
159.07735	18.3
159.09250	6.9
161.04810	1.7
170.08214	3.1
185.05652	17.9
185.07156	2.9
202.09836	7.7
203.08270	73.4
244.14453	2.6
288.13522	21.1
295.75836	1.8
314.11417	18.7
332.12585	100.0
333.05917	8.6
333.12781	2.2
335.71725	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	333.0596
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
50.21032	0.3
50.23309	0.3
52.14531	0.3
78.95899	100.0
86.36346	0.3
89.12341	0.3
96.96957	21.5
105.07040	0.3
141.78430	0.4
146.64221	0.4
150.98116	0.5
152.99590	70.9
171.00644	10.1
171.02081	0.3
223.00134	0.7
224.68797	0.4
241.01210	34.9
259.02304	2.1
316.67215	0.4
329.54724	0.4
333.05954	76.9
333.32339	0.3
350.00064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88050	0.2
76.57866	0.3
78.95896	0.4
79.35877	0.3
85.02931	0.6
85.06585	0.5
90.27678	0.3
99.75674	0.3
101.06035	0.4
102.04185	0.4
104.30559	0.3
129.05576	100.0
130.05908	0.5
178.17139	0.3
211.87750	0.3
215.72072	0.4
217.11644	0.3
357.76065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96471	0.4
54.82442	0.5
58.48854	0.5
58.75908	0.5
59.01376	3.1
60.99307	0.5
61.98842	4.9
69.58515	0.4
71.01376	0.7
73.93221	0.5
78.95901	2.3
79.55022	0.4
83.23416	0.5
88.04014	2.2
88.98812	2.1
94.06621	2.8
95.04981	0.5
96.00900	0.5
101.02430	0.5
105.51801	0.5
107.03763	6.0
120.04559	7.7
121.05337	8.4
122.06113	100.0
123.06516	0.7
124.04032	1.2
134.06102	3.6
135.06914	3.1
136.07672	44.3
152.99556	0.6
171.11797	1.0
182.04663	0.6
198.09279	0.6
199.10057	0.7
214.12375	4.3
227.08247	2.3
230.12045	0.7
241.01303	0.7
241.09784	2.0
242.10603	6.9
257.12973	60.5
258.13193	0.7
270.04947	0.8
301.11917	4.5
333.06104	1.0
334.16611	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	333.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.7
57.03448	0.8
59.01385	100.0
60.01709	0.6
61.98835	5.0
71.01382	7.0
73.02940	3.1
77.98973	0.4
78.95912	0.8
83.01394	2.4
85.02946	5.6
85.95339	0.4
86.85275	0.5
89.02437	0.4
99.00883	1.0
101.02438	6.7
113.02475	2.7
131.38051	0.4
152.99626	0.5
161.04639	1.8
211.44548	0.4
291.18137	5.8
293.09464	0.4
309.55154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80751	0.2
60.89953	0.2
61.98843	0.2
84.04550	1.1
115.05875	4.3
130.65852	0.2
138.63673	0.2
143.08945	0.4
159.08534	1.0
161.10059	100.0
162.10403	0.5
169.92223	0.2
248.13269	2.8
253.05045	1.1
290.14346	11.9
291.14661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26844	0.3
57.03443	0.5
59.34550	0.3
61.98823	0.3
63.11120	0.2
63.17300	0.3
65.49400	0.2
84.04530	2.6
84.64899	0.3
88.04031	2.6
90.44658	0.3
92.32742	0.3
113.09743	2.1
119.11378	0.3
128.03584	0.4
132.03014	1.8
159.08522	4.2
161.10063	100.0
162.10332	1.0
168.69534	0.3
247.13715	0.6
248.13240	2.3
290.14334	10.4
334.13217	0.5
334.16959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21336	0.3
53.30394	0.4
61.98838	100.0
64.61784	0.4
77.69314	0.4
82.32139	0.4
91.54430	0.4
92.11758	0.5
147.42688	0.5
158.34570	0.4
164.62970	0.4
342.07581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.9
57.03453	6.3
59.01392	30.6
59.19981	3.0
61.98808	3.4
71.01375	19.3
72.99306	17.6
73.02954	3.8
78.95921	3.1
83.24464	2.9
83.43462	2.5
85.02952	49.9
96.96004	100.0
101.02390	4.8
111.00868	3.5
111.55247	3.3
114.33921	3.1
119.74036	2.8
121.02928	41.7
129.05597	4.9
147.03038	4.4
159.09254	3.0
164.07245	3.3
173.77998	3.0
191.02083	3.9
201.10364	5.2
335.13464	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	335.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	0.9
59.01390	21.1
78.95895	0.7
170.60466	0.6
195.78432	0.6
199.07430	0.6
205.15959	0.7
226.15881	0.7
253.21750	100.0
254.22186	1.3
335.22079	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	335.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06958	0.8
59.01390	19.2
78.56551	0.8
78.99133	0.8
92.11739	2.2
251.17072	0.9
253.21744	100.0
254.22179	1.2
335.22052	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	336.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64687	0.3
59.01387	8.7
71.01384	3.2
71.07769	0.3
73.02959	0.9
74.74316	0.3
83.01374	0.4
85.02929	1.6
89.79948	0.3
92.05062	5.2
92.12393	1.8
96.95990	1.6
101.02441	1.6
106.19719	0.4
113.02443	0.6
113.21571	0.4
116.05058	0.4
118.02974	1.7
120.04563	0.7
124.14922	0.4
124.44858	0.3
131.03767	100.0
132.04549	58.3
144.04568	7.3
144.45053	0.4
146.06113	1.9
157.05310	0.4
158.06122	5.3
161.04572	1.8
168.04536	0.5
173.90244	0.4
174.05588	8.4
186.05621	2.2
276.08810	1.8
299.51074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1819
Annotation	Nemorensine
Peak:m/z	Relative Intensity
50.76043	0.7
54.82898	1.3
58.02984	24.6
59.01393	3.9
59.28538	0.8
70.02966	1.5
71.01383	17.5
76.57690	1.1
81.03466	10.2
86.06137	0.9
88.04041	100.0
96.75708	0.8
96.99285	2.1
108.04557	44.5
111.91628	0.9
115.00364	20.9
132.03001	5.7
135.00899	2.1
152.03558	5.8
167.03510	5.2
177.16502	1.2
220.17053	3.4
221.15491	17.5
260.16586	6.1
276.08734	1.0
292.19205	19.2
304.15662	1.0
318.16855	1.0
336.18213	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84562	1.0
53.01255	1.0
54.82448	1.5
59.01385	5.3
61.98825	1.5
63.24255	1.2
65.33392	1.0
65.96604	1.1
70.49773	1.1
75.00809	1.1
75.36221	1.1
78.95898	2.1
85.06583	2.3
86.73507	1.4
92.11774	2.0
123.04524	6.9
123.74566	1.5
139.04070	1.6
151.07715	1.2
165.09224	7.5
235.16797	1.9
305.21240	16.1
318.24442	32.1
336.25479	100.0
337.25919	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	336.2548
Annotation	Linoleoyl glycine
Peak:m/z	Relative Intensity
54.84077	0.3
58.37394	0.4
58.64712	0.4
59.01380	0.9
61.98830	0.7
69.36384	0.4
72.04543	4.1
74.02471	100.0
78.95908	0.8
79.15836	0.5
122.45448	0.5
226.74582	0.5
336.25488	52.7
337.25851	0.8
355.76135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0424
Annotation	imidazoleacetic acid ribotide
Peak:m/z	Relative Intensity
57.03447	0.8
59.01388	9.4
69.03432	0.3
78.84811	0.4
79.95735	0.8
85.02950	5.1
95.05038	1.7
96.96004	100.0
100.54527	0.4
116.92854	2.1
119.05027	0.7
123.08130	0.4
133.06586	0.7
149.09724	20.1
161.09747	5.8
179.10780	21.7
182.26416	0.4
197.06378	0.8
257.08542	2.3
273.48810	0.4
295.39127	0.4
337.04254	48.6
338.04373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83084	0.4
55.01876	3.6
57.03453	11.2
59.01382	7.7
71.01384	8.6
72.99303	7.5
75.00863	1.1
83.01368	2.2
84.02157	2.9
85.02944	100.0
89.02462	0.9
96.95992	9.2
101.02406	0.8
103.00342	0.8
110.17774	0.6
111.00842	0.6
117.03458	8.9
119.03611	0.7
119.05026	11.7
125.64056	0.5
128.72711	0.6
129.01936	3.4
136.42526	0.5
136.98596	0.5
145.02953	52.4
147.02994	39.3
156.06662	3.8
157.06932	0.7
163.04005	8.4
293.06653	8.3
337.04517	0.7
337.14813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.9
59.01392	10.8
61.98797	1.0
69.03432	1.1
76.57497	0.9
77.82072	0.9
79.06982	0.8
81.03446	6.6
83.01373	3.9
85.02948	15.6
92.11721	4.4
99.04510	10.3
108.68840	1.1
111.00875	4.0
120.83704	1.1
121.02950	100.0
127.04005	16.2
129.01949	8.0
133.56827	0.9
140.64270	1.0
171.03026	1.4
187.88715	0.9
200.03946	1.0
275.35825	1.0
280.08093	1.0
301.19980	1.3
334.65338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1084
Annotation	Rubiginone A1
Peak:m/z	Relative Intensity
51.29309	1.4
51.30700	1.6
52.99245	1.5
54.58355	1.5
54.79720	1.7
57.84255	1.5
64.98480	1.6
106.51622	1.7
107.05017	3.4
109.02938	3.3
110.68495	1.7
111.25243	1.6
111.45074	1.7
121.02930	16.9
123.04513	4.0
148.01649	100.0
148.02826	3.9
149.02435	63.7
161.02377	2.9
175.07642	2.4
178.90900	1.9
185.05920	2.7
187.07692	19.5
192.05154	2.1
214.06494	4.8
215.07164	11.6
269.11841	2.8
291.10361	8.1
318.08789	2.7
319.09814	56.7
337.10834	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	337.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69060	1.2
57.52216	1.1
59.01385	9.2
59.11612	1.0
122.15797	1.3
169.60918	1.2
255.23334	6.8
277.21875	1.6
305.21390	6.7
337.23938	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	337.2388
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
55.01876	0.6
57.05646	0.4
59.01371	1.9
61.98812	0.4
71.01362	0.6
76.04949	0.4
78.95892	0.7
79.95733	0.4
85.06583	1.9
89.46395	0.5
120.25024	0.4
137.06099	0.4
163.11494	0.5
165.12863	2.7
171.10260	21.5
183.01192	1.0
233.15555	0.6
251.16544	12.7
251.18883	0.5
256.13522	0.5
279.23431	0.5
317.53088	0.5
319.22781	7.2
337.18655	5.4
337.23898	100.0
338.24277	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	338.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59061	0.6
52.98728	0.6
54.48829	0.7
58.02712	1.0
58.02982	25.8
58.80299	0.7
59.01392	5.7
61.98818	0.7
63.50187	0.7
67.65189	0.7
70.02961	1.1
70.04142	0.7
70.82503	0.7
71.01379	19.9
71.38261	0.8
85.34214	0.8
88.04038	100.0
94.47677	0.8
96.99272	3.3
110.09711	0.8
114.01968	1.1
115.00377	19.9
120.35377	0.8
122.83287	0.9
132.03023	6.1
138.36511	0.9
149.98401	0.8
205.15923	1.1
222.18646	7.2
223.17058	27.4
294.20792	18.8
320.18692	1.7
338.19781	66.8
339.20090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90005	0.4
77.45170	0.5
79.95731	1.2
84.88272	0.4
114.94054	0.5
119.05009	2.5
161.49916	0.6
163.11298	2.7
170.00444	1.0
183.01210	63.8
184.01979	3.7
197.02806	2.8
201.99487	0.6
216.00890	1.1
225.05960	0.7
230.02715	0.6
239.07512	0.8
253.08788	0.5
311.26105	0.6
312.26282	2.3
339.20010	100.0
340.20352	2.1
357.52548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2331
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
53.56470	0.1
88.63626	0.1
89.54504	0.1
92.11784	0.3
95.44639	0.1
116.35220	0.1
147.08157	0.2
163.11287	100.0
290.69574	0.2
322.66046	0.2
339.23318	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	339.2331
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
58.88519	0.1
59.01382	2.1
67.00336	0.2
72.74728	0.2
77.63042	0.2
106.46579	0.2
116.92819	0.3
119.04952	0.2
147.08125	0.2
163.11290	100.0
164.11621	2.5
183.01225	2.9
239.07393	0.2
279.23337	1.3
297.24487	0.4
339.19962	3.8
339.23361	36.0
340.20319	0.2
340.23633	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	339.2331
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.93734	0.3
54.82823	0.5
85.79169	0.3
89.25647	0.3
97.41596	0.4
102.16314	0.3
103.83932	0.5
106.04217	0.4
107.05022	0.6
116.92857	0.6
163.11288	77.6
164.11629	1.9
175.11278	1.7
176.12039	0.7
177.12831	5.0
183.01213	4.3
190.09946	0.8
207.10342	0.6
208.11089	3.9
279.23392	3.3
279.52774	0.4
281.15561	1.4
282.16324	4.4
283.17081	7.2
309.18787	0.5
339.20099	6.2
339.23346	100.0
340.20264	0.6
340.23685	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	339.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28572	1.4
54.81117	1.4
59.01387	76.7
61.99908	1.5
63.97495	1.6
64.25907	1.3
71.41915	1.7
79.95742	1.4
109.52234	1.7
116.92850	3.6
156.88301	1.7
163.11288	16.2
170.00429	2.3
183.01228	39.8
197.02782	28.4
217.90402	1.8
234.78387	1.9
279.23236	12.8
297.24359	45.5
317.48227	2.1
320.95895	1.7
339.20020	100.0
339.25891	13.3
340.20181	2.1
350.25000	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	340.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42569	0.1
61.42874	0.1
76.33485	0.1
77.57320	0.1
82.05604	0.1
88.65719	0.1
98.88726	0.1
107.05020	0.2
113.29662	0.1
147.08195	0.2
163.11290	100.0
164.11615	41.1
279.69104	0.1
311.39987	0.2
317.95496	0.2
339.23325	19.8
340.23666	36.8
345.73874	0.1
352.16666	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	340.2861
Annotation	(-)-7-Hydroxyspectaline
Peak:m/z	Relative Intensity
59.01381	2.2
59.82961	0.8
61.98820	1.7
62.05020	0.9
64.34701	1.0
65.15411	0.9
69.19458	1.0
76.57627	0.9
83.57902	0.9
84.04551	9.4
85.02911	1.8
89.02409	1.4
100.07664	1.9
102.05606	76.3
120.34023	1.0
120.65716	0.9
120.85138	0.8
131.26198	0.8
163.11296	18.6
164.11613	15.8
171.91440	0.9
183.01227	1.6
188.96886	0.9
237.22124	1.6
254.24902	10.0
272.48605	1.0
278.22009	4.0
280.22348	1.1
294.27933	4.6
296.26529	1.7
296.29626	29.3
322.27518	4.7
340.20126	3.7
340.23895	9.6
340.28580	100.0
341.29068	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	341.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.7
57.03408	0.8
58.00607	0.7
59.01387	35.2
65.45870	0.6
67.12897	0.7
67.74624	0.7
70.02974	6.0
71.01383	23.6
71.05017	7.0
72.99291	0.9
73.02930	0.7
75.00833	3.8
76.88007	0.6
83.01370	0.8
85.02943	8.0
87.05621	5.3
89.02431	28.1
90.64225	0.6
91.49092	0.6
95.01331	0.9
95.93434	33.6
96.94212	11.1
96.95976	1.1
99.04461	3.7
100.45677	0.6
101.02425	10.8
111.00834	0.8
113.02441	8.4
114.05568	1.1
115.05106	6.6
116.07149	0.9
119.03481	8.9
122.95754	3.9
130.03259	0.9
135.04500	8.6
136.25923	0.6
137.06038	0.8
139.98433	9.2
144.76311	0.6
146.07089	1.1
146.08218	26.2
149.04494	0.9
161.04509	2.8
161.08199	3.3
177.05472	0.7
179.03496	6.0
179.05591	8.7
197.78227	0.7
211.02124	8.2
239.01588	3.9
281.24725	3.9
341.08304	100.0
342.08551	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	341.085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
57.03460	0.8
58.02976	1.2
59.01395	32.6
70.02966	4.4
71.01387	21.8
71.05028	7.6
72.99292	1.1
75.00845	3.6
85.02958	5.5
87.00863	0.8
87.05631	5.0
89.02445	22.6
95.92866	1.2
95.93449	32.6
96.94234	10.2
96.95966	1.0
99.04482	2.8
101.02412	7.1
112.58486	0.7
113.02462	6.6
115.05123	7.3
119.03480	7.9
122.95762	3.4
129.05519	0.9
130.03287	2.6
131.76805	0.7
134.03700	0.8
135.04532	6.7
137.06039	1.3
139.98465	7.4
146.08232	24.3
161.04578	1.6
161.08142	1.1
168.56999	0.8
179.03482	4.0
179.05582	7.3
184.98747	0.7
211.02199	8.7
214.39598	0.8
219.55627	0.9
239.01704	5.1
265.99399	0.7
281.24680	1.5
341.08347	100.0
342.08905	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0883
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
53.89421	0.3
55.01881	0.4
57.03473	2.7
57.44401	0.4
59.01394	15.6
61.98832	0.7
65.03971	0.4
71.01038	0.6
71.01392	10.5
71.05033	0.5
72.99306	0.7
73.02939	2.2
83.05025	2.2
85.02961	7.8
87.04475	0.5
89.02441	9.2
93.03450	1.9
95.01386	0.8
95.05023	0.6
96.39082	0.4
96.96017	3.1
97.38464	0.4
98.95618	0.5
99.00855	0.5
101.02427	3.7
101.06081	0.6
103.92056	0.5
106.04250	0.6
107.05038	6.0
109.02948	0.3
109.06536	0.4
113.02454	3.0
115.03996	2.4
117.03482	0.8
119.03493	3.5
119.04982	0.6
121.02938	2.2
123.04501	0.7
127.07668	0.3
129.01926	0.9
133.02992	0.6
133.71764	0.3
134.03740	21.4
135.04520	100.0
136.04832	0.4
137.02444	1.5
137.06050	1.8
139.07645	0.9
145.05080	0.7
161.04610	0.6
167.03445	0.5
173.00961	0.4
179.03473	4.1
179.05681	3.2
281.24915	2.1
303.14584	2.2
305.16077	13.3
341.08649	2.6
341.11102	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	341.109
Annotation	Sucrose
Peak:m/z	Relative Intensity
53.68146	0.7
55.01883	1.2
58.00592	1.0
59.01388	100.0
62.22205	0.8
71.00984	2.0
71.01380	60.4
72.99326	1.4
73.02949	1.4
75.17211	0.8
83.01376	1.7
85.02949	11.1
87.00859	2.0
89.02445	64.9
95.01385	3.2
101.02438	25.7
110.91468	0.9
113.02451	21.2
117.35970	0.9
119.03500	23.3
131.03474	3.6
132.60530	0.9
140.04178	1.0
143.03508	4.6
149.04611	1.8
150.89244	0.9
161.04562	5.9
179.05608	23.2
219.29219	0.9
341.10928	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.3
71.01370	0.9
74.22158	0.1
81.03452	0.9
85.02942	0.4
89.02441	1.3
93.03460	1.6
101.02452	0.2
106.04248	7.0
107.05040	2.0
108.02178	1.1
113.02473	0.4
118.08780	0.2
119.03616	0.2
119.05024	6.7
119.05833	0.4
120.05346	0.2
135.04495	1.6
137.06085	100.0
138.03291	0.2
138.06467	1.2
153.21138	0.2
179.05597	0.2
203.36186	0.2
264.78412	0.2
281.24777	0.4
305.16092	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3062
Annotation	21-hydroxyhenicosanoic acid
Peak:m/z	Relative Intensity
59.01386	4.7
61.68934	1.9
79.16399	2.0
86.89725	2.4
89.02437	2.4
260.10754	2.0
267.26785	2.8
281.24899	11.1
293.28571	3.1
295.30084	66.9
341.22412	2.5
341.26666	4.9
341.30667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52852	0.1
56.72316	0.1
56.85312	0.1
59.01388	100.0
60.01721	0.1
104.07950	0.1
115.02508	0.3
116.92830	0.2
117.00458	0.3
136.70531	0.1
138.31818	0.1
157.03563	5.9
159.01501	6.0
178.95094	0.3
201.02562	84.1
202.02695	2.3
233.89067	0.1
293.28336	0.1
343.03723	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	343.13
Annotation	Tyr-tyr
Peak:m/z	Relative Intensity
50.43102	0.3
50.90620	0.3
58.06841	0.3
59.01382	3.6
59.86473	0.3
65.99805	0.3
72.36795	0.4
73.02940	0.4
74.40675	0.3
83.04996	0.5
87.04494	0.5
92.05035	0.8
100.98685	0.4
107.10113	0.4
116.05038	5.0
132.04539	1.7
134.06131	0.7
136.56895	0.3
144.04538	0.6
150.05618	0.5
156.53775	0.4
160.04033	100.0
161.04735	1.7
169.12361	0.4
171.10417	0.5
174.05591	0.4
175.06424	1.6
176.03549	0.5
176.07193	3.4
181.12361	0.4
189.04263	0.6
194.60886	0.5
197.11769	0.7
201.11273	0.3
204.99818	0.5
206.04578	2.3
207.05389	3.9
211.13464	0.7
219.05382	18.7
220.06227	2.6
237.15013	0.8
251.04358	30.8
255.16185	1.1
277.78354	0.3
283.26511	0.6
299.14014	3.3
325.20190	0.6
343.13019	47.9
343.21307	12.5
362.01572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2855
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
59.01392	63.0
91.33594	0.8
115.92027	1.1
127.11238	1.3
146.74689	1.1
155.14407	1.0
169.15955	3.8
171.10347	1.2
230.72864	0.9
283.26428	10.4
284.24326	0.8
314.36139	0.9
325.27490	6.8
341.26981	2.0
343.28552	100.0
344.28812	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	343.2857
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
53.31132	1.0
59.01389	100.0
61.98851	1.3
64.60542	1.1
74.48214	1.4
75.82038	1.2
279.23291	1.7
281.24695	1.7
283.26431	13.7
297.24454	20.2
321.12845	1.3
343.28583	78.4
352.84451	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	343.2857
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
53.95577	0.4
59.01387	3.3
59.98192	0.3
71.01376	0.4
82.89309	0.4
92.65386	0.4
102.46555	0.5
106.87584	0.5
107.68122	0.5
116.92888	0.7
124.02970	0.4
141.12874	5.4
142.73186	0.4
155.14395	2.7
171.13943	0.9
199.13367	3.1
229.14464	1.6
235.26392	0.4
283.26453	2.6
306.90811	0.7
307.26434	1.8
319.84885	0.5
323.26111	1.6
325.27484	10.9
341.26920	4.9
343.28558	100.0
344.28937	2.4
352.76343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04665	0.8
52.39826	0.7
55.01885	1.3
57.03444	1.9
58.00602	3.9
59.01388	100.0
61.98831	15.4
71.01386	45.7
72.99303	5.7
73.02927	1.7
83.01395	6.9
85.02960	13.0
87.00891	2.4
89.02443	36.6
92.05055	11.7
94.75821	1.1
95.01369	4.1
96.95978	1.2
99.00859	1.5
101.02446	27.8
108.04517	8.3
113.02472	15.6
119.03487	14.0
120.04557	31.9
122.06107	9.7
128.03574	2.4
136.04074	11.0
137.04845	1.9
138.05609	65.7
164.03540	83.8
179.05644	1.4
180.06691	4.2
194.41115	1.1
194.42928	1.1
208.32141	1.0
295.41772	1.2
300.10922	20.9
340.13663	1.1
344.09918	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	7.9
61.98824	4.2
76.57414	2.8
93.42984	3.4
96.88074	3.7
96.88734	3.2
102.68338	2.7
116.72136	3.7
116.92784	4.2
118.72408	3.2
127.11325	3.5
134.75745	3.7
166.83908	3.2
169.15935	7.3
217.07236	14.3
221.13123	3.2
262.27350	3.9
271.22867	19.8
272.94290	3.6
301.16641	28.6
325.27426	5.4
326.27875	7.8
331.61783	4.0
343.28580	91.6
344.28912	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	345.1347
Annotation	Gibberellin A29-catabolite
Peak:m/z	Relative Intensity
59.01391	0.8
60.99313	3.6
71.01392	0.4
94.35486	0.5
95.17798	0.4
133.06667	0.7
136.62808	0.4
156.05853	0.9
158.07416	0.8
159.08298	0.4
161.09851	0.5
170.07416	0.6
171.08176	12.4
171.09680	0.5
171.10347	0.8
172.10498	0.5
183.08160	2.8
183.09628	0.5
189.09259	2.9
195.08170	0.7
196.09010	1.7
197.09674	0.8
209.09808	0.6
211.11235	1.0
211.14989	0.9
223.11275	3.0
224.12016	3.7
229.12424	1.6
229.16064	3.4
237.12869	10.5
239.14453	100.0
240.14766	0.8
255.14021	0.9
256.11099	8.6
257.15512	54.0
258.15652	0.5
283.13425	12.2
283.16367	0.6
301.14542	3.3
344.21634	1.0
345.13486	27.2
345.22498	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	345.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.0
59.01388	5.8
71.01382	1.9
73.02948	39.5
85.02949	1.0
87.04504	10.0
89.10693	0.7
95.59261	0.8
97.06570	1.0
99.83035	0.8
115.74258	0.9
123.40617	0.8
125.76909	0.8
146.54842	0.8
149.95929	0.9
183.13898	19.2
195.13892	4.2
221.15482	5.2
239.16548	29.8
291.19717	3.9
327.21854	6.9
345.22861	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	345.2286
Annotation	oscr#20
Peak:m/z	Relative Intensity
57.03451	4.1
58.00592	2.8
59.01378	1.1
62.94605	0.4
63.42757	0.4
67.05533	0.5
69.03459	0.4
71.01388	0.6
71.05017	0.9
73.02937	0.4
85.02937	0.7
87.04511	11.8
97.06568	0.6
97.21243	0.5
107.08685	5.3
113.06058	0.5
125.09725	7.1
127.11281	10.3
135.43936	0.4
137.09740	2.4
139.11278	0.6
155.10826	3.1
157.12309	0.7
165.09242	2.6
171.10286	13.6
183.10225	0.7
185.81786	0.5
199.09804	2.5
201.11351	57.9
202.11644	0.5
221.15456	8.7
223.08267	0.5
239.14357	0.9
239.16498	6.4
251.16606	0.5
257.15024	0.7
257.17615	14.6
291.19641	1.8
309.20844	0.6
327.21835	2.8
344.21747	0.6
345.22861	100.0
346.23236	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	345.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82249	0.5
57.03462	4.9
58.00574	0.5
59.01378	2.0
71.01383	2.7
71.04993	0.4
73.02955	41.2
85.02950	1.1
85.91635	0.5
87.04520	9.8
97.06569	0.5
101.06040	0.6
179.14424	0.7
181.12389	0.8
181.85457	0.5
183.13913	18.1
195.13933	4.8
221.15469	3.5
239.14467	2.7
239.16548	35.5
241.14546	0.6
257.15482	2.0
291.19736	5.6
309.20621	0.9
325.59152	0.6
327.21774	8.6
333.56158	0.6
345.22858	100.0
346.23346	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	346.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12048	0.1
58.89779	0.1
59.01390	27.3
59.81670	0.2
60.01722	2.7
61.01809	0.3
61.98840	100.0
76.53175	0.1
78.57786	0.2
79.71200	0.2
87.92787	0.2
92.12341	0.2
95.36523	0.1
116.72531	0.2
157.03529	0.3
158.03833	0.2
159.01501	0.6
160.01674	0.3
161.01265	0.6
201.02583	4.9
202.02739	6.4
203.02304	7.4
204.00009	31.5
204.02686	2.5
205.00148	1.0
241.82558	0.2
346.01123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0558
Annotation	Adenosine monophosphate
Peak:m/z	Relative Intensity
50.58249	0.3
55.88975	0.3
57.92557	0.3
61.08526	0.4
78.95899	100.0
91.33184	0.4
96.96952	27.3
107.03634	1.5
124.60404	0.3
134.04716	20.2
138.98041	0.7
150.98012	2.8
169.33168	0.4
192.99007	0.5
202.66026	0.4
211.00198	1.3
346.05600	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	346.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03995	0.2
59.01391	0.5
59.31701	0.2
59.87609	0.3
60.61366	0.2
61.98836	100.0
64.34981	0.3
69.60867	0.2
72.51058	0.3
78.95933	0.3
92.11684	1.0
92.59569	0.3
107.05041	0.6
107.36121	0.3
116.92889	0.4
163.11272	0.6
163.39105	0.3
205.78575	0.3
235.22725	0.3
256.84140	0.3
283.17068	0.5
313.51212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46196	0.6
57.03440	0.8
59.01385	100.0
61.98835	1.8
71.01359	6.1
73.02937	1.2
78.49610	0.7
80.05054	2.8
85.02930	4.0
87.04511	0.9
97.02939	1.3
101.02412	4.3
106.06631	1.6
108.04548	5.1
108.08189	1.5
113.02423	1.7
118.06624	13.0
121.05264	1.0
122.06119	1.2
123.03346	0.8
125.02410	6.2
134.06091	3.0
136.07654	6.1
138.05565	5.2
150.10614	0.8
152.07204	6.7
161.04610	5.6
180.06622	5.8
188.07254	0.8
188.10820	1.4
188.14465	4.4
198.12900	4.0
201.11523	0.8
202.08795	1.4
203.09534	5.2
208.06296	0.8
216.13919	4.0
217.11104	1.5
224.05573	1.4
227.08194	7.0
227.90916	0.8
229.09811	3.0
232.13425	3.2
237.06651	1.1
241.09857	3.8
242.10643	4.4
245.10683	1.6
247.08482	4.8
255.07899	1.1
255.11316	1.7
257.12970	15.0
258.11472	1.1
258.17938	1.1
260.12909	3.8
261.10129	0.8
267.11386	2.9
270.10077	3.0
271.99756	0.9
275.08026	8.3
275.14047	1.1
276.12399	3.0
283.10876	1.3
285.12405	13.1
301.11984	19.6
304.11935	37.5
329.11478	38.1
346.23120	3.9
347.12521	51.2
347.23944	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	347.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.8
59.01395	100.0
71.01395	6.9
73.02950	2.5
78.95897	3.1
83.01385	0.7
85.02936	4.4
89.02499	0.7
92.11730	0.9
96.95997	3.3
97.02934	0.9
97.07278	0.5
99.00855	0.6
101.02428	3.2
107.05099	0.6
113.02426	2.9
125.02461	8.2
128.03575	0.8
161.04556	8.9
199.32227	0.7
224.20355	0.6
245.55132	0.7
278.56003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78830	1.2
55.74962	1.1
57.03456	3.4
57.09114	1.2
57.52884	1.2
57.64921	1.5
59.01389	100.0
69.03445	2.4
69.83572	1.5
71.01381	36.5
72.93781	1.3
72.99305	2.8
73.02948	11.3
81.41946	1.4
85.02950	24.1
87.00867	5.5
87.04507	28.5
89.02459	1.6
97.02952	3.7
99.00845	2.5
101.02427	9.6
113.02455	8.9
114.03215	1.4
115.04014	22.7
125.02478	12.8
143.03496	28.0
161.04553	6.2
167.10838	1.7
274.81729	1.5
347.09793	2.0
347.17651	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1251
Annotation	Achillamide
Peak:m/z	Relative Intensity
50.29012	0.7
54.52089	0.8
55.10897	0.7
58.20160	0.8
59.01388	100.0
61.98840	1.8
71.01362	4.7
71.73304	0.8
72.76340	0.8
79.48621	0.8
79.81062	0.8
80.05048	1.4
83.01405	1.2
85.02940	1.9
87.04507	1.4
94.44805	0.8
97.02952	1.2
101.02433	5.2
103.04261	2.0
106.06600	4.2
108.04530	6.2
108.08193	1.3
113.02484	1.8
118.06626	18.0
121.05359	1.0
122.06110	1.5
123.03275	1.4
124.07635	1.3
125.02454	6.6
134.06067	3.6
136.07692	4.7
138.05608	4.3
143.03391	1.3
150.94389	0.9
152.07196	4.6
160.11328	1.0
161.04564	5.4
172.04080	1.0
180.06647	8.7
188.10796	2.0
188.14409	6.7
198.12863	3.6
202.08803	2.2
202.11694	1.3
203.09560	4.0
213.06590	1.2
216.10242	2.1
216.13989	4.0
217.11020	1.5
224.05765	2.0
227.08321	8.6
228.09114	1.2
229.09740	3.7
232.13390	7.2
237.06728	1.0
241.09804	4.9
242.10629	6.0
245.10468	1.5
247.08463	8.8
255.07713	1.2
255.11496	1.6
257.12939	15.5
258.11481	1.3
260.12909	5.2
261.10028	1.0
267.11395	1.9
270.10010	2.1
275.08054	6.8
275.14108	1.4
276.12329	3.4
283.10901	1.5
285.12408	14.1
289.09546	1.6
301.11908	21.8
304.11951	42.4
329.08508	0.9
329.11456	43.6
346.23126	3.9
347.12503	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1504
Annotation	Gibberellin A77
Peak:m/z	Relative Intensity
54.40316	1.0
59.01386	34.6
61.29213	1.1
62.63810	1.2
65.97366	1.2
71.05002	2.1
73.02946	5.8
96.96204	1.2
107.74962	1.1
117.07119	2.5
125.02465	1.3
141.79366	1.1
144.05858	1.2
157.10245	2.1
175.11278	1.4
183.11778	5.6
185.13431	9.4
213.12874	4.1
229.12396	15.0
239.14317	2.7
241.15990	20.9
259.17072	27.2
264.40869	1.2
269.11844	1.7
273.11234	2.7
285.15030	4.2
303.16095	6.6
329.13922	9.4
347.15036	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	347.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67830	1.8
53.64344	1.7
54.82919	2.0
58.02982	50.5
59.01384	12.9
59.93251	1.6
62.90189	2.1
99.00867	14.4
106.99738	2.0
113.39259	2.1
142.00339	2.0
168.13947	100.0
180.98630	2.5
209.15518	14.0
211.13474	4.3
212.12837	2.1
253.68951	2.1
293.21204	15.2
304.19266	22.4
309.17276	3.5
311.22302	2.5
347.18701	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	347.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94902	0.3
57.03455	4.3
58.00578	0.4
59.01382	3.3
62.29820	0.4
74.96154	0.4
75.69358	0.3
83.05029	0.4
85.02938	1.5
87.04507	13.3
88.98591	0.3
92.11693	1.7
128.08104	0.4
128.26973	0.4
195.13936	0.5
221.15549	0.7
223.17043	36.1
235.17093	3.7
253.18100	0.5
275.20215	3.7
291.20038	0.6
293.21237	5.2
309.20670	3.9
311.22318	100.0
312.22604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69312	7.0
59.01391	100.0
61.98828	8.5
67.98023	6.9
69.83911	6.5
71.01386	10.7
80.15243	7.5
96.11493	6.9
107.12853	7.4
115.19702	6.7
311.22321	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	347.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82804	7.9
55.65239	9.0
57.89756	9.4
59.01162	7.3
59.01388	100.0
59.70317	8.8
61.95765	8.4
61.98845	11.3
84.83801	11.8
125.02451	9.9
216.52609	9.8
218.99794	10.9
223.20866	16.9
311.22357	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08355	4.1
55.77937	3.5
57.93653	3.4
59.01386	74.1
59.15868	3.8
60.68445	3.7
61.98820	7.1
63.86670	4.3
73.56227	4.9
75.11588	4.4
78.80141	4.9
90.33946	4.4
92.99238	4.8
96.96009	92.2
101.71709	4.4
114.83569	5.0
139.11226	7.4
148.27458	4.5
171.10257	26.8
211.13313	7.3
256.18384	5.8
265.14822	85.6
288.69415	4.8
293.21240	5.2
311.22311	100.0
311.25500	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	347.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06815	2.6
54.35114	2.4
57.03452	4.2
59.01387	24.2
61.78219	2.5
61.98841	4.5
62.51027	2.8
65.75900	2.7
68.89787	2.5
71.31323	2.8
77.17953	2.5
77.93217	2.7
113.09721	23.6
163.35713	2.7
167.10712	2.7
179.10770	3.5
185.15558	4.3
293.21246	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	347.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41245	1.0
59.01387	24.4
64.34235	1.3
99.00196	1.1
104.03576	1.1
141.99680	1.1
225.22217	1.3
265.21753	100.0
266.22083	1.6
347.22122	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	348.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12380	1.0
56.77362	1.2
57.13947	1.1
59.01382	9.9
61.98833	2.9
63.48795	1.2
71.01391	2.0
74.02476	32.5
82.02991	14.5
84.04546	8.2
84.57416	1.2
85.02966	1.8
85.04076	7.4
85.52294	1.1
86.02474	18.0
88.04032	1.7
92.05029	3.0
96.95418	2.1
96.96010	31.9
99.99194	1.4
102.05625	2.4
109.04104	1.6
110.06136	19.5
111.06449	6.1
112.02788	2.2
113.03588	3.0
113.07207	2.8
116.05062	6.0
117.05447	1.8
122.06135	15.9
123.06449	6.1
127.05156	12.9
127.08769	1.7
128.03546	100.0
128.05077	2.9
130.06650	2.1
131.03793	11.0
132.03052	2.1
132.04555	69.7
135.05638	3.0
141.06720	36.8
144.04570	24.6
145.04929	6.1
146.04620	2.5
146.06081	1.7
153.06725	5.4
157.07736	16.2
158.06120	8.6
162.05621	15.1
162.60742	1.4
163.05981	6.4
167.04634	8.5
171.07825	2.3
173.07220	3.0
175.08806	5.5
179.04649	9.1
185.05652	24.9
187.98804	1.5
197.05655	1.7
201.06787	1.8
210.74113	1.7
212.88057	1.3
219.07777	52.1
252.04364	2.7
256.11670	2.9
268.11542	6.3
285.12418	7.2
286.12756	15.5
299.19284	1.6
304.13861	2.1
312.09857	1.8
330.11017	19.9
348.12021	41.0
364.15244	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	348.2549
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
50.37167	0.5
51.39880	0.5
59.01395	0.6
59.14360	0.4
61.98829	1.1
68.29544	0.5
88.04039	100.0
122.30713	0.6
125.37800	0.5
193.34119	0.6
333.37570	0.6
348.25488	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1663
Annotation	7alpha-Hydroxyeurycomalactone
Peak:m/z	Relative Intensity
57.03447	3.7
59.01390	8.9
60.99325	0.6
71.01385	1.3
71.05019	6.0
78.36434	0.5
83.05019	1.0
92.68680	0.5
101.59721	0.6
108.62399	0.5
135.08160	2.7
137.09689	1.4
149.09705	0.6
151.06354	0.5
152.47493	0.6
189.12839	0.6
201.12912	3.5
205.15929	0.6
225.16531	2.8
243.13879	0.8
243.17555	14.2
259.17081	6.1
261.18771	0.9
287.16574	4.3
305.17636	27.6
306.17627	0.6
331.15417	3.7
349.16620	100.0
350.16937	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1663
Annotation	gibberellin A2
Peak:m/z	Relative Intensity
57.03443	3.7
59.01388	10.6
71.01375	3.0
71.05003	2.9
73.38166	0.7
83.05025	5.2
85.02924	1.1
89.02399	1.7
92.65879	0.8
95.05038	1.5
101.02441	1.0
109.06561	1.6
113.19601	0.7
123.08161	1.4
125.09692	1.0
135.08151	6.6
137.09697	1.8
173.09741	1.0
201.12894	3.0
225.16536	6.0
228.11452	0.9
241.15970	2.8
243.13940	2.4
243.17560	18.0
257.15753	0.8
259.16913	5.8
269.15390	1.6
272.16351	0.9
287.16574	14.8
305.17596	22.6
320.24756	0.8
325.57199	0.9
331.15543	72.5
332.16000	0.8
349.16599	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	349.1873
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
54.87543	0.3
55.01883	1.4
57.03442	1.3
58.00586	2.1
59.01388	57.1
71.01382	22.7
72.99287	2.3
73.02938	1.8
83.01373	2.3
84.02177	0.5
85.02951	7.4
85.20422	0.4
87.00864	1.5
89.02441	20.3
89.65605	0.3
95.01385	1.9
96.96028	0.3
99.00871	0.5
101.02444	15.7
108.49507	0.3
113.02460	8.0
119.03484	6.1
133.37973	0.3
139.11296	2.1
141.12862	46.1
150.72969	0.4
155.14369	0.6
169.12354	6.3
171.13914	2.8
179.05562	0.5
183.13875	3.6
185.11832	0.4
187.13403	66.6
188.13718	1.6
229.14473	2.1
291.10355	0.4
312.69553	0.4
349.18726	100.0
350.19171	3.3
353.61487	0.4
357.13989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93879	0.4
50.94640	0.3
51.26450	0.3
54.11935	0.4
55.01884	2.6
57.03453	0.8
59.01386	100.0
70.89642	0.4
71.01378	10.0
72.99322	0.4
73.02936	4.9
83.01397	2.7
85.02941	5.5
89.02446	2.8
95.01397	0.7
99.00874	1.6
101.02438	10.5
113.02444	4.5
119.03516	0.7
139.11308	0.8
145.12454	0.4
159.02979	0.6
161.04581	3.0
201.11427	2.7
231.71504	0.4
233.80673	0.4
239.44014	0.5
276.34396	0.5
307.17706	8.6
308.18201	0.6
348.48065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.5
57.03454	1.2
59.01393	100.0
62.70242	0.5
64.07061	0.5
65.00676	0.5
70.95462	0.5
71.01392	20.3
73.02950	4.8
75.00928	0.6
79.15603	0.5
83.01394	3.6
85.02967	9.6
89.02447	8.9
92.11713	1.0
95.01394	1.1
99.00868	0.9
101.02449	13.3
112.82482	0.5
113.02453	6.8
119.03497	3.5
125.78381	0.5
143.03656	0.6
145.12280	0.8
161.04570	6.1
179.05756	0.7
179.30304	0.6
188.95575	0.5
275.81012	0.6
276.72583	0.6
307.17676	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	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82934	0.3
59.01395	100.0
59.24200	0.3
61.98836	0.5
69.11150	0.3
71.01383	3.1
71.01704	0.3
72.77764	0.3
73.02931	0.5
75.47037	0.3
85.02953	1.6
85.49406	0.4
95.74187	0.4
100.98682	0.4
101.02439	1.8
110.03671	0.4
113.02438	0.6
125.02431	0.5
145.09239	0.4
161.04549	0.8
175.31468	0.4
205.29250	0.4
253.05150	3.6
269.04507	0.5
271.58090	0.4
289.16531	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	349.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06385	0.9
53.18754	0.9
55.73004	0.9
59.01393	23.2
74.24577	1.0
93.18583	1.2
113.71595	1.2
116.92852	1.4
147.36995	1.1
233.57953	1.5
267.23306	100.0
268.23587	1.8
349.23676	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	350.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47044	0.4
55.99247	0.4
57.03451	0.5
59.01390	60.7
60.01725	0.7
61.98840	100.0
63.33012	0.5
71.01376	1.0
77.28437	0.4
85.02963	0.5
99.04549	0.7
101.02451	1.0
126.05630	0.6
201.15025	0.4
207.13991	2.2
209.11833	6.1
225.15083	2.7
227.12930	28.1
230.01822	0.5
251.12962	0.6
269.13934	7.1
287.15033	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2703
Annotation	Melophlin E
Peak:m/z	Relative Intensity
59.01389	1.7
61.98822	4.3
62.87931	1.0
66.92869	1.0
67.33020	0.9
79.71456	0.9
82.18524	1.1
85.06586	1.3
86.06116	1.4
96.96019	1.6
120.33691	1.1
123.04514	6.3
137.09753	1.3
139.11304	1.3
154.86642	1.0
165.09221	7.1
192.95801	1.9
263.19125	1.2
294.23740	1.2
305.21231	16.7
332.25998	24.1
350.27057	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	350.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82859	0.2
61.98842	0.2
69.22626	0.2
74.71262	0.2
79.10860	0.2
86.06115	0.3
88.04031	100.0
137.84454	0.2
178.80118	0.2
269.21188	0.2
332.25876	0.2
350.27051	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2705
Annotation	Melophlin E
Peak:m/z	Relative Intensity
58.02708	1.0
58.02985	24.4
59.01384	5.4
64.34276	0.7
66.39210	0.6
71.01378	0.7
88.04041	70.5
93.63919	0.7
152.97762	0.7
157.09062	0.7
278.24893	14.0
315.04971	0.7
322.24017	1.4
350.27054	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	351.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	14.9
58.02992	12.1
59.01387	38.1
62.36098	1.6
65.22790	1.6
66.05552	1.8
71.01375	6.8
71.02527	2.1
73.02946	3.6
74.02473	2.3
75.51158	1.6
85.02953	8.4
89.02412	3.4
99.04508	9.8
101.02425	7.5
101.07201	2.2
107.05028	2.7
109.04044	1.7
115.08766	100.0
118.82133	1.7
119.05030	33.6
123.04526	1.7
125.02406	3.4
125.07154	17.0
126.05547	1.7
127.05100	13.2
128.03503	2.2
129.07889	1.9
129.10356	2.5
131.07138	2.4
135.04456	2.2
137.07182	2.6
139.45612	1.6
143.08250	15.5
150.97536	1.7
153.05510	2.8
163.04008	10.0
173.09286	3.8
180.06659	20.5
221.13071	3.8
230.02144	1.9
235.14528	19.2
245.12943	2.7
247.10870	14.3
263.14050	3.3
265.11835	12.3
271.11087	2.2
279.13522	80.8
289.11954	18.0
293.12485	2.4
307.13052	58.4
315.09772	2.4
351.11868	7.6
351.20291	14.3
361.47882	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	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	100.0
57.33166	0.8
59.01388	68.2
71.01387	13.9
72.99313	1.0
73.02956	6.9
75.80470	1.0
80.68315	0.9
83.01387	5.4
85.02956	8.9
88.98793	1.4
89.02438	1.2
90.29704	1.0
99.04514	53.1
100.99711	1.0
101.02433	36.5
113.02407	7.1
113.42238	1.0
115.08770	4.4
116.83681	0.9
119.05022	1.1
125.02453	14.3
141.85471	1.0
161.04613	2.5
207.08757	42.4
217.15228	1.0
249.09756	2.1
279.13544	4.1
289.12949	1.6
307.12857	1.7
351.12799	5.0
351.20404	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	351.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54154	0.2
53.80733	0.3
55.98877	0.3
57.03436	1.8
59.01379	1.6
64.66300	0.2
69.03439	1.5
69.90368	0.3
81.05482	0.3
83.04994	1.4
87.86153	0.3
93.03452	0.4
95.05017	25.3
95.90002	0.3
98.36580	0.4
106.61827	0.4
109.06606	0.4
119.06571	0.3
130.08714	1.9
135.08192	1.3
137.09724	3.1
151.07669	3.5
163.07637	1.2
175.11365	0.4
189.12883	0.3
191.14476	2.1
209.27522	0.3
219.13918	1.1
221.15462	3.4
241.16022	0.5
243.13901	14.1
255.13986	2.2
259.17053	1.5
261.18634	1.7
271.04266	0.3
271.17032	6.1
273.14978	3.3
287.16537	1.8
289.18100	36.0
290.18393	0.4
307.19165	9.2
315.16013	0.5
351.18146	100.0
352.18182	1.7
360.17819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02418	0.3
57.03450	2.3
59.01388	3.0
61.98827	0.5
83.05035	0.9
87.92570	0.3
95.05026	28.0
97.06548	0.5
109.06595	0.7
123.08164	0.5
130.08734	2.6
135.08139	1.8
137.09703	3.6
143.71150	0.4
151.07660	4.6
163.07642	0.8
169.49500	0.6
175.11177	0.7
191.14523	1.5
198.53447	0.4
201.12827	0.4
208.13065	0.4
209.95911	0.5
212.35791	0.4
219.13889	1.8
221.15460	3.1
243.13940	14.6
255.13855	1.7
259.16998	1.9
261.18619	1.7
263.20203	0.5
271.17044	5.9
273.15024	4.1
287.16583	2.6
289.18115	36.7
307.19177	9.8
315.15802	0.7
351.18161	100.0
352.18179	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	351.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
59.98180	0.5
61.98835	0.6
78.52607	0.5
80.37247	0.5
82.98758	0.5
87.00866	0.6
89.96922	0.5
92.12328	0.7
163.11234	0.9
175.11221	4.9
187.09366	0.6
187.11255	0.8
220.70058	0.6
265.57455	0.6
277.12360	0.7
278.13403	1.1
279.13904	4.1
293.15506	33.1
294.16367	5.4
294.19073	0.6
295.17032	6.6
319.16916	0.9
321.18619	4.4
326.15436	0.9
335.20239	4.4
336.20978	2.9
349.21832	6.8
351.23340	100.0
352.23627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2546
Annotation	9,11-methane-epoxy PGF1alpha
Peak:m/z	Relative Intensity
53.48716	1.1
54.44276	1.1
59.01384	1.9
59.73116	1.0
63.29373	1.1
66.01260	1.2
73.66242	1.3
146.53661	1.4
319.22702	13.4
351.25455	100.0
352.25946	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	352.1041
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
59.01389	100.0
59.01685	3.2
61.98810	2.1
68.80632	1.5
71.01380	45.5
73.02950	58.7
73.93179	1.8
75.00871	1.8
82.16241	2.2
83.01369	9.2
85.02939	3.7
87.00864	7.5
89.02463	4.1
92.05036	7.5
97.02938	1.9
101.02441	27.7
113.02441	10.5
116.05030	3.3
118.02962	7.6
119.26344	1.9
120.04558	9.5
125.44157	1.7
131.03746	7.4
132.04568	17.7
143.03487	2.0
144.04581	21.6
146.02489	71.2
146.06213	2.0
147.03265	97.4
148.04106	17.8
158.06064	5.9
160.04034	85.0
161.04462	3.5
162.05852	1.7
172.04021	19.8
174.05609	12.4
179.02226	16.8
180.69922	1.9
185.04810	2.1
186.05621	8.7
202.05081	12.6
214.05138	15.8
230.92729	2.6
276.66324	1.8
292.08344	4.3
310.09409	3.5
352.10413	90.4
352.16898	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	352.1768
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
51.67702	0.4
53.73627	0.5
56.24474	0.5
56.26994	0.5
57.03441	0.6
58.02977	1.4
59.01388	7.1
60.01731	0.9
61.98824	3.1
69.10096	0.5
81.03436	0.7
85.02965	0.6
95.05007	1.4
128.10785	9.5
130.08725	100.0
131.09058	1.0
135.08163	0.8
140.23492	0.6
154.08777	1.4
172.09750	3.1
174.97946	0.6
177.09250	0.7
288.17273	0.7
289.18027	1.1
290.18100	3.9
308.18661	7.4
334.16641	3.5
351.17776	0.8
352.17761	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.7
61.98839	0.8
64.34607	0.4
66.16623	0.4
70.62261	0.3
71.01407	0.5
79.95734	16.3
80.96556	0.6
94.98093	1.8
95.95225	3.7
96.96004	100.0
114.39162	0.5
122.97571	6.3
183.17563	0.4
187.45001	0.5
294.64038	0.5
353.20068	97.2
354.20230	3.5
377.62781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95628	0.3
59.01383	2.4
67.09010	0.4
69.13816	0.3
73.24576	0.3
79.95737	16.6
80.96509	0.8
85.43351	0.4
94.98081	0.6
95.95242	3.2
96.96005	98.6
99.37437	0.4
122.97575	5.8
136.65263	0.4
177.57445	0.5
195.13945	1.5
240.87885	0.4
271.22852	0.9
277.21747	0.7
295.22818	4.0
300.11163	0.4
318.69107	0.5
353.20071	100.0
354.20535	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	353.2125
Annotation	Guayulin B
Peak:m/z	Relative Intensity
53.54034	0.5
65.07182	0.4
73.55128	0.5
101.62785	0.6
105.94877	0.6
108.23692	0.5
144.11301	0.5
163.11290	100.0
164.11649	0.9
177.09212	72.9
178.09576	0.8
347.14532	0.5
353.21265	79.9
354.21609	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	353.231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90435	0.9
59.01373	6.2
64.16650	1.0
110.01888	1.0
119.71585	1.0
136.77216	1.4
163.11346	1.7
177.09297	1.1
197.18953	1.0
223.20741	5.6
225.22253	65.9
271.22809	100.0
353.23578	3.9
353.30872	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	353.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15338	0.3
51.85368	0.3
52.03188	0.3
55.95463	0.3
57.03386	2.2
59.01323	7.6
59.96056	0.3
63.99594	0.4
71.01316	0.3
71.04954	11.8
71.32524	0.3
80.91654	0.6
84.71824	0.3
85.06522	1.8
137.65659	0.4
174.99913	0.3
181.15912	0.7
183.17532	9.5
197.17479	0.5
197.19130	12.7
225.22252	24.0
253.21706	1.9
269.21179	2.4
271.22797	100.0
272.23117	0.9
353.23151	17.6
354.23550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.3065
Annotation	22-Oxo-docosanoate
Peak:m/z	Relative Intensity
58.79567	0.8
59.01389	5.5
71.01366	0.7
71.05013	3.5
107.03819	0.7
181.16003	1.3
236.88367	0.8
279.27066	3.2
293.24808	5.6
307.29962	4.8
319.08499	0.9
351.29208	1.1
353.30652	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	354.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.4
72.96785	0.6
85.02968	2.3
92.11651	1.3
96.98517	0.6
110.49065	0.5
116.07174	100.0
116.77019	0.7
126.09281	0.8
214.42032	0.7
215.77898	0.6
244.95439	0.6
271.13101	0.6
310.31146	6.8
354.30182	57.0
355.22614	0.6
355.30460	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	355.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	4.2
55.02100	0.4
57.03195	1.0
57.03458	21.4
59.01151	0.6
59.01392	9.4
68.99805	0.7
71.01385	4.4
72.99310	2.2
73.02957	0.7
75.00867	1.0
83.01392	3.3
84.02165	2.6
85.02950	100.0
87.00867	0.6
89.02428	0.6
92.11822	0.6
101.02451	1.0
103.00381	1.2
107.78869	0.4
111.00895	2.8
115.00383	0.5
119.05017	5.4
129.01941	6.5
147.02994	9.3
163.04051	3.2
173.00917	1.1
191.01999	17.1
209.03043	12.3
247.01401	0.5
355.06955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31998	0.4
52.32674	0.4
53.00276	0.4
55.01888	4.6
56.02449	0.5
57.03193	0.7
57.03458	19.4
59.01393	11.0
65.34577	0.4
68.99791	0.5
71.01372	5.0
72.99300	2.7
73.02962	0.7
75.00869	2.7
83.01376	3.6
84.02170	2.4
85.02950	100.0
87.00871	0.6
89.02432	1.0
90.29935	0.4
103.00410	0.7
110.33199	0.5
111.00882	5.1
115.00363	1.7
119.05030	4.5
126.21000	0.5
129.01923	5.4
133.01479	0.6
137.28777	0.4
147.03009	9.1
163.04002	3.8
167.54344	0.6
173.00847	0.8
191.01976	15.6
209.03058	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	355.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	4.4
55.02102	0.4
57.03191	0.8
57.03455	20.1
59.01389	10.2
71.01381	4.6
72.99291	2.3
73.02925	0.7
75.00867	0.6
83.01376	2.6
84.02178	0.9
85.02946	100.0
87.00888	0.7
88.02769	0.5
92.12413	0.7
103.00377	0.7
103.32851	0.5
111.00889	3.1
111.74655	0.6
119.04998	4.5
129.01933	6.5
147.01912	0.7
147.02985	8.2
163.04010	2.5
170.57083	0.5
173.00937	1.8
182.92662	0.5
191.01964	17.8
209.03058	13.1
227.13390	0.5
272.50967	0.6
282.79581	0.5
298.51959	0.6
355.06870	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	355.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18130	0.5
55.01873	3.8
55.02105	0.5
57.03196	0.7
57.03459	18.6
59.01392	8.5
71.01386	7.3
72.99300	3.7
72.99690	0.7
73.02956	1.1
75.00867	5.2
76.57859	0.5
78.71751	0.6
83.01396	4.2
84.02162	2.1
85.02956	100.0
87.00836	0.7
89.02436	1.2
89.42285	0.7
101.02442	0.8
103.00348	1.3
108.83862	0.6
111.00867	6.4
115.00323	1.0
119.05041	5.2
129.01929	5.3
133.01421	0.8
147.02977	9.5
163.03998	4.6
173.00798	0.7
191.01968	21.3
209.03021	17.1
316.27792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	3.8
57.03458	20.1
59.01389	9.5
65.39967	0.4
67.60646	0.4
71.01401	4.6
72.99299	0.6
73.02979	0.4
75.00864	1.9
76.25297	0.4
83.01387	2.7
84.02145	0.8
85.02950	100.0
87.00870	0.7
96.85784	0.5
101.40250	0.5
103.00312	0.6
111.00896	3.8
111.01567	0.4
115.00407	0.5
119.05006	4.7
129.01898	5.6
129.98624	0.4
133.01425	0.6
138.31255	0.4
147.03004	6.9
163.04024	3.3
173.00960	0.8
191.01971	18.5
191.23828	0.4
209.03021	12.0
240.64113	0.5
264.20163	0.5
342.36414	0.5
355.06851	1.0
364.66812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0826
Annotation	Fridamycin E
Peak:m/z	Relative Intensity
55.01895	1.6
57.03445	8.2
59.01378	12.4
61.60296	1.4
62.69292	1.3
67.08789	1.5
68.31585	1.4
71.01379	2.1
85.02953	54.1
109.65501	1.5
119.05020	25.1
121.02947	100.0
147.02994	2.4
163.04048	12.0
181.06671	2.4
183.01155	3.8
191.02017	6.3
195.13953	7.7
202.66508	1.7
209.03046	8.3
273.23026	1.9
311.09256	71.3
355.08325	36.4
355.15588	3.2
355.25134	2.6
368.15970	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	355.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38454	0.8
53.34609	0.8
55.01887	2.4
57.03462	19.4
59.01117	1.1
59.01394	18.1
61.98856	1.0
62.94897	0.9
71.01390	9.1
72.99317	4.4
73.02934	5.4
75.00877	5.5
83.01405	9.2
85.02964	98.6
87.00878	5.5
89.02404	1.1
101.02448	4.2
109.76741	1.0
111.00874	8.4
113.99561	1.6
114.05567	1.2
115.00363	7.0
119.05017	2.3
121.02953	6.0
129.01952	11.5
131.03749	4.6
132.04147	1.4
133.01431	1.3
134.03795	1.3
134.04741	6.8
135.04475	1.0
135.43513	1.0
147.03004	5.0
148.05380	1.1
161.05983	1.2
163.04002	4.3
173.00920	3.6
174.01701	71.4
175.02477	4.4
179.07169	4.5
180.10262	1.7
189.03954	1.3
191.02019	15.6
191.78558	1.1
209.03056	13.7
209.08186	1.8
237.07686	4.2
265.07199	9.2
275.07373	1.1
295.08224	11.1
317.78122	1.0
355.10406	100.0
356.10840	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	355.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
57.03455	2.6
59.01385	100.0
62.64888	0.4
68.72231	0.4
71.01395	0.8
84.02193	0.5
85.02945	10.6
85.03404	0.6
87.00884	0.5
128.25493	0.5
129.01860	0.5
146.96480	0.4
147.03001	0.6
163.14980	0.6
165.12895	0.8
191.01985	2.7
191.60483	0.4
207.13913	54.8
209.03160	2.1
251.12955	3.9
255.82336	0.5
262.73721	0.4
269.13937	4.9
311.15176	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	355.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20736	0.3
63.69531	0.3
70.65170	0.3
84.93872	1.7
85.02937	0.3
88.04042	7.5
89.04359	0.4
91.57009	0.3
99.92578	52.4
100.92705	0.5
100.93346	5.9
110.59518	0.4
115.92072	27.3
116.92854	100.0
117.92870	1.4
117.93669	0.5
123.97479	0.3
167.21017	0.3
186.29390	0.4
225.22284	1.5
283.46411	0.3
311.16821	0.7
325.14822	0.7
343.15796	1.4
354.30219	1.5
355.15875	51.8
355.30371	1.1
356.15912	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	355.2282
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
52.00332	0.5
54.92862	0.5
57.03452	0.9
59.88363	0.6
69.16102	0.6
70.23285	0.7
70.48663	0.6
81.07092	0.8
85.02943	2.8
92.65317	0.8
101.06062	1.0
102.27701	0.7
107.04995	0.8
109.02937	1.0
122.03745	10.2
127.07644	1.4
135.04521	21.5
147.08173	6.2
149.06065	2.9
149.09702	12.1
151.07639	0.9
161.09734	13.7
163.07631	4.4
163.09883	1.1
163.11288	71.7
164.08444	20.9
165.09184	6.1
177.09213	100.0
178.09998	19.1
179.10780	89.5
179.12430	1.0
180.11148	0.7
187.11314	2.8
191.10805	11.7
193.08727	4.1
207.14563	0.8
214.12050	0.7
218.27448	0.8
265.12372	1.1
279.13712	1.0
280.14774	5.4
298.15735	34.5
299.16168	0.7
307.16995	1.7
309.22128	1.4
312.13629	0.8
321.18842	1.4
322.19339	1.3
337.21747	64.3
338.21960	1.4
340.20462	98.7
341.20798	1.6
355.22830	64.9
356.23276	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.228
Annotation	Dshamirone
Peak:m/z	Relative Intensity
51.28216	0.2
52.18789	0.2
56.58992	0.2
59.01377	0.5
61.98543	0.2
61.98832	3.6
65.89486	0.2
70.74816	0.2
85.02934	1.0
87.61115	0.2
89.34966	0.3
104.02682	1.2
117.07069	1.0
133.10245	5.6
145.06589	0.2
147.08185	0.9
151.11273	0.5
161.09676	1.7
163.11285	100.0
164.11650	2.3
168.83984	0.2
179.10773	82.3
180.11151	1.8
205.08707	0.3
337.21780	5.7
355.22833	72.3
356.23151	3.6
359.93286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2284
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
58.52951	0.1
59.01374	0.3
61.98832	0.3
62.85068	0.1
71.34089	0.2
85.02943	0.9
97.70831	0.1
119.40585	0.1
140.34044	0.2
143.63173	0.1
147.03111	0.2
147.08159	2.6
160.08910	0.2
161.09717	1.2
163.11281	4.0
179.10812	0.3
187.11217	0.6
191.10789	0.3
192.07982	0.3
224.72920	0.2
265.12344	2.3
266.12646	0.2
279.13916	0.6
280.14706	6.3
281.15494	0.5
289.16119	0.4
301.67575	0.2
303.17255	0.2
307.17023	3.2
321.18582	1.9
322.19305	2.6
337.21768	100.0
338.22095	5.5
354.18442	0.6
355.22720	2.5
367.36475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3218
Annotation	2-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
57.03442	2.4
58.24957	0.6
59.01374	1.0
71.05014	11.4
85.06578	1.2
85.46640	0.6
178.80957	0.6
202.70049	0.6
234.29276	0.6
263.20883	0.7
267.26971	6.5
281.28479	12.6
309.31631	18.0
337.31036	2.5
353.30566	1.4
355.32193	100.0
356.32626	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3221
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
57.35462	0.3
59.01371	0.3
61.98833	0.6
62.34459	0.2
63.22544	0.2
66.29936	0.2
85.02942	0.6
87.93027	0.3
92.12296	0.4
99.48130	0.3
114.75498	0.3
116.92879	0.3
134.04759	0.3
137.19803	0.3
152.61069	0.2
155.14359	1.3
183.17519	0.5
219.89153	0.3
232.96346	0.3
250.04520	0.3
309.31659	2.2
311.34384	0.3
337.31146	2.8
353.30698	1.4
355.32227	100.0
356.32599	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	356.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35786	0.1
52.24891	0.2
59.01383	0.2
59.64810	0.1
60.94148	0.2
61.98837	100.0
64.76562	0.1
69.81812	0.1
85.02973	0.2
103.15266	0.2
107.94624	0.1
121.02979	0.2
162.81816	0.2
252.39359	0.2
253.04979	0.2
324.73209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17953	0.2
54.82801	0.2
55.92779	0.2
57.20597	0.2
59.01388	0.2
61.98839	100.0
62.69628	0.2
85.03023	0.3
91.39477	0.2
94.74210	0.2
124.68422	0.2
135.03574	0.2
163.11278	0.4
179.10805	0.4
247.87737	0.2
264.32565	0.2
330.54871	0.2
355.22794	0.3
356.23349	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	356.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84650	0.4
56.42442	0.4
58.87746	0.4
59.01392	0.7
61.98835	100.0
64.34803	0.4
76.25307	0.4
85.02971	0.6
96.70322	0.5
104.45716	0.5
105.37215	0.5
116.92852	1.0
121.02979	0.9
133.08501	0.4
178.75108	0.5
192.95966	0.6
193.88043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94133	2.0
58.99642	1.6
59.01385	4.3
61.58832	1.5
61.98836	20.0
64.34661	1.5
68.66794	1.6
71.05013	1.6
74.02472	100.0
76.10285	1.6
77.10620	1.6
77.36137	1.6
77.57968	2.0
99.78481	1.6
112.55142	1.6
118.05119	2.3
121.02960	2.3
225.31438	2.0
237.22139	2.4
251.45924	2.1
266.24899	9.5
268.26346	7.2
294.24435	29.6
294.27768	3.2
297.24258	3.0
312.25488	50.3
356.28101	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66445	0.5
59.01390	8.7
61.98835	13.2
62.06770	0.4
71.01376	0.9
75.81615	0.4
85.02958	3.1
93.03467	0.5
95.05032	0.9
96.96005	3.0
99.01994	1.0
101.02471	0.7
107.03649	0.9
108.02180	16.0
109.02962	4.9
114.05534	3.3
115.06042	0.7
119.04984	1.7
121.02960	1.9
123.04517	100.0
124.04841	0.7
134.04721	29.0
135.05179	10.5
151.04031	0.6
152.01144	7.4
153.02007	2.0
153.05574	92.6
154.05905	0.6
166.28448	0.5
180.10287	3.1
181.10501	0.9
195.06607	3.5
206.20497	0.4
242.73050	0.5
297.08337	0.7
357.07928	7.0
357.12070	0.9
357.18350	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44793	1.6
57.03442	2.4
59.01386	100.0
71.01376	8.1
73.02932	3.0
89.02436	9.4
101.46361	1.8
121.02945	2.7
125.52048	1.9
145.93462	1.6
148.36021	1.8
157.12605	1.7
187.16154	1.6
203.08270	1.9
278.50104	1.7
320.67755	2.0
335.47180	2.1
357.26416	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	357.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85345	0.7
57.03458	69.2
59.01382	2.0
69.03459	4.5
71.05037	1.5
73.86123	0.9
85.02992	1.1
85.06604	17.6
89.13837	1.0
97.06580	5.7
99.08163	15.2
113.09733	3.9
123.08159	4.3
125.09730	10.3
125.10494	1.1
132.41731	1.0
141.09248	1.3
141.12917	1.2
143.10783	43.6
150.64641	1.0
154.09300	1.0
155.10800	1.2
171.13898	2.2
181.15924	1.7
195.13985	1.9
211.17096	4.5
229.18127	50.4
297.24435	5.0
313.27548	29.1
325.35620	1.0
357.26511	100.0
358.27023	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50309	0.1
51.42799	0.1
53.93068	0.1
58.27040	0.1
58.57014	0.1
59.01384	0.2
61.98836	100.0
92.11741	0.1
92.65970	0.1
103.05591	0.1
111.23748	0.1
135.40195	0.1
178.49515	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	358.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89785	0.3
56.65358	0.3
57.03500	0.3
59.01378	0.5
61.98837	100.0
74.70465	0.3
76.95123	0.3
78.22720	0.3
79.12503	0.4
80.34589	0.3
85.02952	0.3
102.33776	0.3
103.14555	0.3
103.22021	0.3
106.80854	0.3
139.02798	0.7
181.91518	0.3
270.00366	0.4
358.23935	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	358.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32396	1.6
54.82581	1.2
57.03447	1.9
59.01384	3.4
61.98843	2.4
63.54845	1.3
68.49448	1.6
70.77209	1.3
74.02506	1.9
111.73476	1.6
237.22340	5.7
253.25435	3.7
260.66547	1.6
280.26495	100.0
358.24185	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	358.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88103	18.3
55.15522	20.5
59.01385	50.8
61.98841	100.0
70.31897	25.9
81.59856	22.3
157.46805	30.8
225.57292	27.4
258.15421	34.2
258.22366	26.3
350.46158	28.5
379.19489	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	358.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81119	0.2
53.23351	0.2
55.00869	0.2
56.05243	0.2
56.92571	0.2
57.50693	0.2
59.01395	100.0
65.47628	0.2
76.57736	0.2
78.08897	0.2
92.12375	0.4
173.23448	0.2
228.87483	0.2
264.56070	0.2
298.27551	0.5
316.21832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82724	0.3
55.69877	0.2
59.01388	100.0
66.99539	0.3
68.26296	0.2
72.99309	0.4
73.02942	0.3
90.97171	0.4
114.98867	3.9
132.98251	2.4
134.97063	1.8
156.90863	2.9
156.99934	8.5
157.03539	1.5
159.01521	3.2
174.99261	25.2
176.98047	0.7
198.91966	3.1
201.02586	20.7
215.04187	0.4
216.92661	2.4
217.00333	70.4
218.00702	0.4
218.98425	0.3
274.88782	0.5
274.93332	1.1
276.98245	1.2
299.01111	3.3
316.94406	0.6
324.28439	0.3
358.94470	0.6
359.01550	4.4
368.67590	0.4
377.15912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22221	0.3
54.15516	0.4
54.53542	0.4
55.01883	3.9
57.03197	0.8
57.03459	18.9
59.01390	10.4
61.98827	3.2
66.80623	0.4
69.36429	0.4
71.01376	3.9
72.00904	2.2
72.99294	2.5
73.02954	0.5
75.00880	2.2
83.01374	3.3
84.02164	1.7
85.02950	100.0
86.03290	0.7
87.00855	1.0
88.22660	0.4
89.02450	0.8
91.01910	0.8
93.03375	0.5
96.95985	0.9
101.02441	0.9
103.00356	2.0
110.65202	0.5
111.00861	4.4
116.92853	2.7
123.00930	0.5
123.03750	0.5
123.04505	3.3
129.01938	6.1
133.01424	0.6
141.37163	0.6
147.03009	10.7
147.04544	5.5
148.04878	2.6
164.07159	9.3
165.07593	4.3
167.03484	4.7
173.00984	0.6
191.01996	16.9
197.04573	0.7
209.03055	8.8
238.51997	0.6
252.59886	0.5
312.47986	0.6
323.13687	1.0
323.17212	0.8
356.75562	0.5
359.06223	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	359.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.2
57.03194	0.7
57.03456	17.4
57.24723	0.4
59.01386	8.9
68.99773	0.4
71.01382	3.7
72.99299	2.2
73.02940	0.4
75.00864	2.8
75.01250	0.4
83.01381	3.1
84.00109	0.5
84.02158	2.4
85.02948	100.0
86.03286	0.5
87.00851	0.7
89.02445	0.8
89.89314	0.4
91.01895	0.4
91.32721	0.5
93.03452	4.0
101.02405	0.6
103.00346	1.9
111.00873	3.8
115.00360	1.0
123.00873	3.0
123.04523	2.9
129.01926	7.1
133.01321	0.6
137.02405	4.3
138.03252	3.2
147.03004	11.4
149.04581	0.9
153.05597	0.9
167.03496	4.0
182.02248	2.6
191.01958	17.0
197.04559	4.4
209.03023	9.1
273.07932	0.5
302.17828	0.5
359.06229	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	359.0988
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01878	1.8
57.03238	0.4
57.03456	7.4
59.01388	21.5
71.01393	4.5
72.99302	0.6
73.02943	0.7
73.04059	0.8
81.03464	0.5
83.01385	2.0
84.02151	0.5
85.02948	35.4
87.00861	0.7
89.02425	1.0
93.03407	0.5
95.01362	5.5
96.95985	3.3
101.02419	2.2
103.00362	0.7
111.00879	2.5
113.02384	0.5
115.00368	0.6
123.00878	66.1
123.04553	0.9
129.01910	2.5
130.08730	0.6
137.02451	2.1
137.06061	8.7
138.03229	85.5
147.03052	4.6
153.05577	22.9
161.04565	0.9
166.99852	17.6
167.03474	2.4
182.02214	59.2
191.01996	6.7
197.04570	100.0
198.04985	0.6
209.03075	4.5
244.83466	0.5
267.09796	2.1
288.32666	0.6
341.14719	0.7
359.09903	3.2
378.54468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1484
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
51.86952	2.9
53.41653	2.4
55.01873	5.3
57.03443	19.7
59.01381	29.9
66.77297	2.5
68.61132	2.7
71.01381	5.4
85.02467	4.5
85.02950	100.0
92.11924	3.5
96.96003	48.8
98.95568	3.1
116.92805	3.6
123.04512	4.3
129.01895	4.7
137.02371	3.4
140.01135	14.3
147.02983	13.0
155.03461	4.8
191.01985	15.0
209.03030	11.9
229.18660	2.9
241.85728	3.0
359.06125	4.3
359.14728	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	359.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25266	0.7
52.79480	0.8
53.90126	0.7
54.82967	0.8
57.03447	1.6
59.01118	1.5
59.01387	33.8
61.98833	16.8
71.01407	2.6
71.01765	0.8
73.02941	1.5
73.92667	0.9
80.02665	1.4
81.03449	3.4
82.95415	1.4
83.05019	7.0
84.02126	1.5
85.02962	6.7
95.04989	1.5
103.19656	0.9
104.00694	0.9
114.45958	1.1
125.09740	0.9
153.09265	0.8
163.11317	6.8
165.12852	1.8
171.10262	4.8
181.12408	1.0
185.11880	8.7
197.11876	10.5
201.11392	8.9
209.11856	100.0
213.11313	1.3
218.91823	1.0
219.72865	1.2
221.97557	0.8
227.12926	17.5
235.13277	1.4
251.12946	1.0
253.14522	1.7
271.15533	8.8
323.18604	1.7
341.19705	10.4
347.32980	1.0
359.16571	2.0
359.20822	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67486	0.5
57.46354	0.4
59.01389	27.3
59.01687	0.9
100.66059	0.5
111.77840	0.6
123.26011	0.6
133.35039	0.5
185.91859	0.6
249.91440	0.5
277.21756	100.0
278.22202	0.6
359.22092	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	360.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19760	0.7
55.01882	1.3
57.03445	1.0
58.00583	1.7
59.01388	92.8
62.55721	0.7
70.23138	0.6
70.79356	0.7
71.01383	41.9
72.99298	1.8
73.02937	1.3
78.95480	1.5
78.95904	26.3
81.11562	0.7
83.01389	1.8
85.02950	19.1
86.03300	1.4
87.00890	1.6
89.02440	49.1
95.01390	4.7
96.04576	1.3
96.96001	2.9
101.02438	26.8
107.03666	3.7
108.04552	4.7
110.98537	15.4
111.00887	0.8
113.02448	18.4
116.92847	12.1
119.03490	18.6
123.00855	3.8
124.01249	0.9
130.08743	3.5
130.86436	0.8
131.03522	1.0
131.09062	0.9
134.04727	81.9
136.04036	5.2
138.03220	4.7
139.03603	1.2
142.96593	1.2
143.03485	0.9
152.99564	6.5
154.05121	1.3
160.97688	0.9
161.04494	1.4
179.05693	5.9
182.02164	1.7
191.01936	3.5
197.04550	3.8
198.04921	1.7
202.98782	1.0
274.06097	5.7
312.65601	0.8
360.09753	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	360.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36837	0.2
59.01379	0.2
61.98836	100.0
64.89050	0.1
70.06362	0.2
84.34381	0.2
100.63639	0.2
102.78227	0.2
175.78271	0.2
219.22890	0.2
253.77129	0.2
266.31064	0.2
375.90442	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99613	1.0
59.01373	3.0
61.98833	100.0
66.96886	0.6
84.81991	0.6
118.07169	0.8
145.33307	0.6
276.43411	0.8
373.41464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55989	9.7
52.03014	9.2
59.01374	50.0
59.22613	8.5
63.12393	11.7
65.61469	8.4
77.31611	9.6
88.54443	11.2
91.13696	9.9
107.31090	9.8
173.25566	11.0
179.13901	10.7
277.21719	43.1
278.22076	100.0
301.21774	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1296
Annotation	Gibberellin A8-catabolite
Peak:m/z	Relative Intensity
59.01372	39.1
59.10659	4.6
73.02962	6.1
124.27898	5.5
128.72121	5.6
143.41995	5.9
148.86569	5.9
163.21883	5.7
186.84882	5.5
211.14920	7.8
225.14980	25.2
227.14433	26.3
229.16029	38.7
245.15477	61.1
255.13948	33.8
267.93900	6.3
273.14957	84.3
285.12350	23.4
289.14624	5.7
289.18130	13.6
317.13928	39.0
361.12924	100.0
361.22250	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53402	0.8
58.34775	0.7
59.01381	1.8
63.20952	0.9
65.82026	0.8
80.17752	1.0
103.21815	0.9
110.06106	6.8
114.39141	1.2
116.05058	1.5
120.63020	1.4
121.05311	3.7
122.06112	19.6
131.03772	1.6
132.04520	4.7
134.06183	1.2
144.04573	5.0
145.05338	28.0
145.09392	0.9
146.06129	10.8
148.04013	2.0
159.03285	5.5
160.04045	77.6
161.04837	38.1
162.05618	2.2
176.03525	16.0
177.04295	18.0
188.03528	4.3
189.04326	96.2
189.17049	0.9
190.04947	5.3
192.03032	2.2
193.03795	23.0
203.05904	1.5
221.03348	22.8
221.06891	24.1
231.11404	1.6
243.11362	5.8
253.01758	1.3
253.06029	10.2
255.11426	19.0
267.11414	40.5
283.10876	1.5
285.12500	1.7
299.10388	16.5
311.10416	40.9
312.10611	1.6
329.11453	16.9
331.12991	23.4
335.52829	1.0
343.13016	100.0
344.13474	3.9
361.14072	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53402	0.8
58.34775	0.7
59.01381	1.8
63.20952	0.9
65.82026	0.8
80.17752	1.0
103.21815	0.9
110.06106	6.8
114.39141	1.2
116.05058	1.5
120.63020	1.4
121.05311	3.7
122.06112	19.6
131.03772	1.6
132.04520	4.7
134.06183	1.2
144.04573	5.0
145.05338	28.0
145.09392	0.9
146.06129	10.8
148.04013	2.0
159.03285	5.5
160.04045	77.6
161.04837	38.1
162.05618	2.2
176.03525	16.0
177.04295	18.0
188.03528	4.3
189.04326	96.2
189.17049	0.9
190.04947	5.3
192.03032	2.2
193.03795	23.0
203.05904	1.5
221.03348	22.8
221.06891	24.1
231.11404	1.6
243.11362	5.8
253.01758	1.3
253.06029	10.2
255.11426	19.0
267.11414	40.5
283.10876	1.5
285.12500	1.7
299.10388	16.5
311.10416	40.9
312.10611	1.6
329.11453	16.9
331.12991	23.4
335.52829	1.0
343.13016	100.0
344.13474	3.9
361.14072	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32459	1.1
54.72239	1.3
59.01389	14.9
59.33558	1.3
71.01363	3.0
85.02924	2.2
87.00868	1.8
89.02458	2.9
95.05018	1.7
110.06122	7.4
110.69183	1.5
113.02427	2.0
120.04549	1.6
122.06111	25.8
131.03714	1.6
132.04533	8.3
134.06110	2.1
134.28094	1.5
144.04526	6.2
145.05334	25.4
146.06116	15.8
148.04030	2.4
159.03191	6.8
160.04039	78.4
161.04832	34.5
162.05602	2.1
176.03529	14.7
177.04300	18.3
188.03596	5.7
189.04306	100.0
190.04922	6.6
192.03088	2.5
193.03810	25.0
221.03357	25.7
221.06927	23.6
231.11302	2.1
243.11436	3.4
253.05978	13.0
255.11424	25.8
255.13878	3.4
267.11401	41.0
268.11877	2.1
283.10739	3.0
285.12589	3.0
299.10297	20.5
311.10394	47.9
312.10696	2.0
313.24268	1.6
329.11411	19.7
330.11154	1.5
331.13040	25.0
343.12994	85.7
344.13177	6.1
361.14270	29.6
362.14487	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	361.1659
Annotation	Gibberellin A124
Peak:m/z	Relative Intensity
52.67750	0.2
55.01622	0.3
55.01882	8.8
57.03437	0.4
59.01378	3.0
65.52728	0.3
71.01368	2.0
71.05014	3.4
71.25957	0.4
72.78390	0.3
73.02940	35.7
79.62685	0.3
79.88161	0.3
83.05022	2.9
85.02969	0.4
87.60423	0.4
88.24156	0.3
97.06588	0.4
97.71922	0.3
119.04969	0.5
131.34891	0.3
142.39211	0.3
187.11282	4.2
199.15225	0.3
213.12856	1.9
217.15996	1.3
227.14484	0.5
231.13895	6.5
241.16090	0.4
243.13826	2.2
243.17593	2.1
245.15401	0.7
255.17514	6.1
261.14966	10.2
262.15329	0.4
269.15503	1.2
273.18616	8.2
281.15555	0.3
287.12735	2.6
299.16510	8.4
317.17584	20.7
343.15561	8.7
361.16580	100.0
362.16931	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	361.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55346	0.3
52.63760	0.3
57.03455	3.0
58.00592	0.4
59.01116	0.7
59.01387	10.8
59.72672	0.3
61.98824	2.0
69.03436	0.8
71.01373	2.3
71.05037	0.9
71.48573	0.3
73.02539	0.8
73.02946	17.8
79.67269	0.3
80.02666	0.3
82.75853	0.3
83.05027	0.5
84.02168	0.8
85.02952	2.6
85.06577	0.6
87.00851	0.4
87.04510	9.5
93.03435	1.6
95.05018	2.7
97.06561	1.6
99.04549	0.4
101.02454	0.4
101.06097	0.3
109.06590	4.6
113.02396	0.4
113.06076	2.3
115.07571	0.6
121.02946	0.7
137.02538	1.1
151.02740	0.5
151.11288	0.7
152.03532	1.9
153.12848	0.3
169.12326	3.2
172.97713	0.3
180.82149	0.4
181.12337	3.1
183.13860	0.8
193.12280	0.7
197.11864	12.0
199.13423	12.0
209.11850	0.5
211.13419	18.0
219.13828	0.6
227.12823	2.3
229.14453	1.9
235.13408	0.7
237.14999	6.9
239.55939	0.3
244.15343	0.4
249.14966	0.6
255.16034	1.6
291.57678	0.3
323.00208	2.2
325.00037	0.4
325.20016	0.4
343.21286	4.9
361.22369	100.0
362.22659	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	361.2235
Annotation	bhos#20
Peak:m/z	Relative Intensity
54.39135	0.4
55.01890	0.5
56.80825	0.4
57.03237	0.4
57.03463	7.7
58.00590	0.7
59.01389	0.6
63.76623	0.4
69.03440	0.5
71.05028	5.7
73.02949	0.5
73.06565	0.6
76.41833	0.5
77.11968	0.5
81.03445	2.3
83.05028	24.0
85.02944	3.3
85.06603	0.6
86.03735	0.5
87.04508	7.7
88.75293	0.5
89.81399	0.4
95.05030	3.9
97.06542	0.7
99.04504	1.0
101.06076	9.8
106.04268	0.5
111.04512	1.1
113.06085	0.7
123.08174	4.1
124.05290	3.7
125.09725	2.4
127.11262	2.9
135.08162	3.3
153.09232	2.6
155.10825	0.7
171.10269	34.9
171.97833	0.4
186.22452	0.5
201.11327	5.6
211.13452	0.6
213.11230	0.7
229.14384	1.0
237.14932	8.3
255.15927	1.6
273.17081	10.9
289.18018	0.8
361.22339	100.0
362.22513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23088	0.4
53.80125	0.4
57.03441	2.5
57.55027	0.4
59.01379	3.6
69.03465	0.7
69.36988	0.5
71.01383	2.0
71.05026	0.5
73.02945	18.3
74.49033	0.4
79.20396	0.5
80.65916	0.5
84.02079	0.5
85.02926	2.0
85.06596	0.6
87.04504	8.3
87.15425	0.5
95.05009	2.0
97.06564	1.1
109.06603	4.6
113.06079	3.0
134.56015	0.5
151.48308	0.5
169.12373	3.3
175.14801	0.5
181.12357	3.0
183.13857	0.6
193.12233	0.7
195.21527	0.6
197.11833	13.9
199.13402	10.5
211.13399	12.2
227.12965	3.7
229.14438	1.1
237.15005	5.0
255.16013	1.0
343.21350	3.3
361.22354	100.0
362.22614	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48014	0.3
55.48536	0.2
55.72167	0.3
56.79512	0.2
59.01387	19.4
60.90191	0.3
92.11758	1.1
156.77621	0.3
179.87358	0.3
261.22134	0.3
278.49332	0.3
279.23309	100.0
280.23642	1.0
361.23669	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	361.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01718	0.3
60.19477	0.1
61.98843	0.3
66.33495	0.1
66.62670	0.1
83.88296	0.1
92.66134	0.1
122.22925	0.1
142.31041	0.1
149.09785	0.8
168.04720	0.1
197.76311	0.1
253.99867	0.1
279.23456	0.2
296.09970	0.1
325.21927	0.3
326.05920	0.1
330.78046	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	361.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45230	0.3
52.36884	0.3
53.48499	0.3
53.94942	0.3
56.08718	0.4
59.01388	100.0
61.98822	3.1
69.41109	0.3
70.19693	0.3
70.40253	0.3
73.68114	0.3
74.53426	0.3
83.79748	0.4
84.52458	0.4
92.12296	0.6
92.22581	0.3
94.17069	0.3
101.72605	0.4
129.32584	0.3
279.23407	2.0
338.76718	0.4
348.38870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10858	0.3
58.88860	0.3
59.01385	4.2
60.01728	0.4
61.98836	100.0
81.42431	0.4
110.64630	0.3
116.92892	0.5
134.18828	0.4
153.19522	0.4
154.92070	0.4
183.86896	0.4
224.11839	0.5
237.92873	0.4
279.23456	0.4
281.38370	0.4
289.68549	0.4
307.78381	0.4
308.03119	0.4
364.87393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67867	0.3
59.01381	8.3
60.02019	0.3
61.98833	100.0
65.79866	0.3
71.01394	0.8
71.80963	0.3
82.16994	0.3
84.47723	0.3
85.02483	0.4
85.02979	1.5
85.56316	0.3
89.02463	0.5
96.96041	0.5
99.04548	0.6
101.02422	0.4
112.01258	0.3
113.41212	0.3
161.08185	0.5
164.03564	0.7
168.06628	0.3
171.05566	0.5
238.85657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98416	54.1
57.35799	53.4
79.35347	66.3
115.89286	78.6
137.50726	73.6
165.11679	70.6
183.04047	70.1
280.19199	61.6
280.23322	100.0
375.88956	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11338	0.5
57.03442	2.5
59.01105	1.1
59.01385	21.9
60.60173	0.5
61.41499	0.5
64.06653	0.5
65.40549	0.5
71.01375	10.5
73.02937	2.3
80.41895	0.6
83.01393	0.9
85.02946	5.5
89.02437	8.1
91.01869	2.6
92.11700	1.1
92.24586	0.6
93.03444	4.4
95.01395	0.7
101.02431	7.5
108.02165	19.8
113.02450	2.9
119.03497	2.4
121.02941	17.2
122.03717	13.0
123.04528	13.6
126.71844	0.6
133.02988	2.4
149.01227	1.1
149.02440	41.7
150.03221	100.0
151.03926	1.0
152.01147	44.5
155.10783	5.2
161.04567	0.8
164.04761	7.2
165.05557	75.6
167.03485	47.6
180.04253	5.3
195.06622	27.7
201.11334	16.7
213.05554	0.7
227.07301	0.7
241.05045	1.3
256.07434	10.8
271.09851	2.5
315.08762	25.3
319.17609	0.9
363.16669	37.6
386.05643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1451
Annotation	CHEMBL1801951
Peak:m/z	Relative Intensity
50.23285	0.8
50.27405	0.8
54.82860	0.9
55.01858	0.9
58.07640	0.8
59.01376	4.2
64.01463	0.7
72.99296	13.8
73.02941	2.3
76.48775	0.9
78.84631	0.9
88.98797	1.1
93.90565	0.9
106.41719	0.9
113.21828	1.0
121.84032	0.9
133.10222	1.4
183.11797	9.2
199.11279	2.3
201.12898	1.2
205.04761	1.0
210.07684	1.1
211.15004	4.6
213.16373	1.1
227.10759	7.6
227.14339	6.7
229.15982	21.7
234.77431	1.0
239.14407	7.9
243.17493	1.2
245.11806	7.2
255.13994	1.0
257.15485	15.7
271.09772	4.4
271.17081	1.2
275.16458	9.8
289.18134	1.7
301.14322	2.1
315.16162	4.8
319.15494	4.4
319.18939	1.1
345.13586	10.6
363.14471	100.0
363.18298	13.6
364.14835	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	363.1818
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
59.01383	0.9
61.98830	0.5
63.63863	0.3
64.35290	0.4
75.06776	0.3
76.49156	0.4
127.60090	0.4
137.09712	2.6
165.05576	2.0
165.09184	0.9
179.07239	0.5
206.70967	0.4
228.92360	0.4
239.14569	0.6
241.15981	48.0
242.16522	0.6
255.17607	4.3
257.19110	20.5
275.20178	5.6
283.17047	5.2
301.18103	60.1
302.18466	0.5
319.19131	8.5
327.21707	0.7
345.17093	14.3
363.18170	100.0
364.18350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45581	0.2
54.11752	0.2
59.01385	17.1
65.77491	0.2
69.70747	0.2
78.45206	0.2
89.57568	0.3
92.11717	0.3
111.07999	0.3
144.84175	0.4
281.24872	100.0
282.25238	1.2
285.77032	0.4
363.25214	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	364.057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98833	1.3
66.94979	0.1
71.01381	0.2
78.95905	20.1
79.95747	1.5
96.95995	100.0
96.96940	35.7
108.70097	0.2
114.05605	0.2
134.04745	0.3
157.74400	0.2
256.16229	0.2
339.40784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28585	0.7
54.83110	0.7
55.01866	1.3
56.19196	0.6
57.03433	0.7
57.18933	0.6
58.00574	0.8
58.95369	0.7
59.01387	100.0
60.01701	1.6
65.49942	0.7
66.13853	0.6
71.01379	28.7
72.99301	1.5
73.02946	20.4
83.01389	5.2
85.02950	10.3
87.00851	1.1
89.02439	20.9
90.56852	0.7
95.01379	1.5
101.02438	20.3
113.02442	15.0
117.40890	0.8
119.03480	6.2
125.02366	0.9
131.03508	0.9
136.83258	0.8
142.02548	0.8
142.06618	4.5
143.03497	1.2
143.09018	3.0
149.04532	0.9
160.07726	4.2
161.04565	4.2
179.05600	1.1
191.11194	1.3
206.51512	0.8
234.97762	0.7
247.28706	0.7
276.51566	0.8
287.39633	0.8
304.11899	12.9
322.12958	18.3
363.23074	1.2
364.14270	1.3
364.23425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52579	0.2
53.41946	0.2
58.02987	0.9
59.01387	37.6
60.01725	3.6
61.01815	2.0
61.98835	100.0
69.67100	0.2
73.42570	0.2
74.69682	0.2
161.06465	0.4
163.06096	0.3
168.13982	1.3
190.41286	0.2
190.84712	0.2
217.07333	0.9
218.07411	1.8
219.06909	8.6
220.07172	5.3
286.13803	0.4
287.13327	3.0
288.13498	3.6
301.16721	0.5
302.16779	2.8
303.16492	14.8
304.16650	19.3
342.51682	0.3
387.81912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2862
Annotation	5(6)-EpETrE-EA
Peak:m/z	Relative Intensity
50.60382	0.6
54.82631	0.8
58.02991	6.4
59.01381	2.7
59.11902	0.6
61.98825	1.0
68.02549	0.8
73.59977	0.7
84.04539	9.2
100.07679	8.4
102.05604	73.7
121.83801	0.7
122.01775	0.7
149.09633	0.9
168.13925	4.3
201.02513	1.0
203.26282	0.6
212.12985	0.8
318.28128	2.9
320.29745	2.8
346.27609	2.9
364.28644	100.0
365.28815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1355
Annotation	1-beta-D-glucopyranosyl-L-tryptophan
Peak:m/z	Relative Intensity
50.27680	0.3
55.38322	0.4
56.61346	0.3
59.01394	4.7
61.98838	0.9
63.87076	0.3
64.39141	0.4
71.01369	0.7
72.00925	9.5
73.02947	0.6
73.97050	0.3
74.02483	15.7
85.02975	0.7
85.04069	0.7
86.02438	0.4
89.02414	2.1
100.55878	0.4
101.02431	3.2
113.02435	2.0
115.92112	0.4
116.05059	47.4
117.05444	0.5
128.03542	3.4
129.05690	0.3
130.06587	0.8
142.06628	13.5
156.06699	0.4
157.06264	1.5
159.09286	9.3
161.04584	2.5
186.05630	2.2
203.08289	100.0
260.08633	0.4
366.08011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.2
57.03466	100.0
59.01394	63.3
62.52941	0.6
71.01392	14.9
71.17497	0.7
72.99323	0.8
73.02947	5.7
80.01921	0.7
81.03460	5.1
83.01407	7.1
83.83418	0.8
85.02957	9.2
87.61994	0.8
89.02465	3.5
90.00464	0.7
99.00891	1.6
99.04518	45.3
101.02445	34.0
103.50227	0.8
113.02442	7.1
119.03406	0.8
123.04521	23.2
125.02431	18.4
143.03566	1.2
151.00386	1.1
157.93619	0.8
159.03073	1.0
161.04608	4.6
167.03505	84.9
168.03893	3.4
221.10327	35.6
263.11475	1.5
303.14615	1.1
329.08746	9.0
350.09521	0.9
365.14618	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	365.1609
Annotation	Paecilomycin F
Peak:m/z	Relative Intensity
51.47016	0.6
55.43567	0.6
56.90834	0.6
56.91143	0.6
59.01368	1.9
62.53668	0.8
75.00838	1.2
83.86866	0.9
92.12329	0.8
93.64456	0.7
105.10236	0.7
109.06570	4.6
111.14216	0.8
151.91422	0.8
165.05556	13.3
165.09206	1.4
180.40150	0.9
182.37158	0.7
187.11284	20.5
215.14430	22.6
216.14691	1.3
223.11276	14.2
225.12820	19.3
231.17546	7.9
233.52155	0.9
239.14442	1.7
241.15990	75.6
242.16336	4.3
257.15457	16.4
259.17050	7.1
275.16528	8.2
285.14975	99.6
286.15308	4.3
303.16043	17.2
316.57004	0.8
326.75839	0.9
329.13989	35.5
330.14481	1.3
365.16049	100.0
366.16385	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62654	0.3
50.79669	0.3
55.01884	0.7
57.03447	1.9
57.65482	0.3
58.00599	0.6
59.01385	38.4
69.20752	0.4
71.01376	15.3
72.99316	1.7
73.02937	0.8
83.01386	1.8
85.02946	3.7
87.00869	1.0
89.02433	17.5
95.01375	0.7
101.02438	11.2
111.08162	0.5
113.02444	6.2
113.09708	1.7
119.03487	6.1
122.80861	0.4
127.11243	2.0
128.03523	1.7
130.96490	0.4
139.11269	0.9
139.95700	0.4
141.09238	0.5
147.04590	0.5
147.96016	0.4
155.10783	3.3
157.12332	21.7
164.07172	0.8
171.13911	0.8
185.11839	2.1
187.13391	1.7
199.13419	1.6
203.12906	51.0
204.13307	0.5
245.14069	0.9
365.18170	100.0
366.18527	1.0
389.39575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.21
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53822	1.1
54.42008	1.2
58.08651	1.3
59.01381	2.2
60.59947	1.2
81.00628	1.5
88.24718	1.4
115.50480	1.6
125.09640	1.4
130.92793	1.6
168.36879	1.7
171.10313	1.6
183.13867	3.5
191.46132	1.4
211.13377	32.1
225.98224	1.8
229.14386	16.6
327.21747	8.7
329.23352	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	365.2699
Annotation	16,16-dimethyl-PGE1
Peak:m/z	Relative Intensity
59.01374	6.5
60.02246	0.7
60.18731	0.8
62.18625	0.7
71.44975	0.9
85.06571	1.3
95.09375	0.9
116.92846	1.1
152.99567	0.9
261.18582	1.0
277.61774	0.9
279.19653	17.4
283.26358	1.0
283.92886	1.2
305.08765	1.5
328.01410	1.2
347.25998	7.4
365.26987	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	365.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38509	14.5
54.78998	12.7
57.67987	13.1
59.01377	100.0
61.98855	13.5
81.91342	13.8
92.11733	52.6
103.68289	18.5
123.88454	18.0
201.02682	21.7
234.14229	17.2
269.21396	20.1
283.26288	35.8
310.09122	17.5
351.25378	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	366.265
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
59.01376	2.2
59.44754	1.1
60.99305	2.4
61.98814	1.9
63.62191	1.1
72.00896	2.3
72.04538	2.8
74.02473	100.0
89.53839	1.2
93.01083	1.2
95.82434	1.3
104.03527	21.9
114.59987	1.1
134.71638	1.3
137.83363	1.1
153.68903	1.3
155.39963	1.1
217.02037	1.4
218.69714	1.2
261.22217	5.9
290.24905	2.1
292.26611	6.0
304.26486	24.5
318.24432	17.4
326.83429	1.4
336.25482	43.4
366.26544	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02691	0.4
59.01389	3.9
61.98843	0.6
121.02949	0.7
147.04550	1.6
148.05310	100.0
149.05635	1.7
163.07652	48.3
193.05226	0.5
231.28465	0.4
233.15428	2.6
258.28473	0.5
265.06961	0.5
277.14487	4.5
305.17468	0.5
346.40799	0.5
349.16403	0.9
367.17661	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	367.176
Annotation	Tagitinin A
Peak:m/z	Relative Intensity
57.03465	7.9
59.01376	1.8
69.03454	0.9
71.05026	0.6
83.05016	0.8
85.02954	0.8
87.44450	0.4
89.71205	0.4
109.63323	0.4
128.03394	0.4
130.81158	0.5
137.09743	0.5
154.31436	0.4
173.09695	1.7
191.10764	1.0
191.14528	0.5
201.12885	4.1
203.10767	2.2
203.14439	1.8
211.14969	0.6
213.16553	2.9
219.13947	4.1
221.15376	0.8
227.14487	0.5
231.17509	1.6
241.16026	1.6
243.17599	3.0
245.15437	0.5
247.17012	0.9
249.18739	0.7
251.40834	0.4
259.17038	5.7
261.18570	3.9
275.16592	2.3
277.18069	3.6
287.16574	0.7
305.17581	2.3
321.17157	0.8
323.18658	25.5
331.14185	0.5
349.16507	3.8
367.17627	100.0
368.18033	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	367.1766
Annotation	Tagitinin A
Peak:m/z	Relative Intensity
57.03227	0.4
57.03459	6.1
57.50813	0.4
59.01376	2.5
60.99306	0.5
62.67927	0.4
69.03462	1.5
71.01390	0.5
75.40027	0.3
83.05079	0.4
84.36138	0.4
85.02957	1.7
85.29886	0.4
92.12356	1.3
108.14087	0.4
123.08167	0.8
133.39554	0.4
135.08237	0.8
136.47806	0.4
170.50955	0.4
191.10832	0.8
201.12810	4.5
203.10776	1.0
203.14505	0.9
205.12404	0.5
211.14886	0.6
213.16486	2.8
217.12311	0.5
219.13994	4.4
221.15469	0.7
227.14471	2.1
231.17589	0.7
241.15991	2.5
243.17609	3.8
247.17029	1.7
259.17041	5.2
261.18646	2.8
265.10004	0.4
275.16498	0.6
277.18134	4.0
305.17612	3.9
321.17160	0.5
323.18668	26.8
324.19186	0.9
349.16620	4.4
367.17661	100.0
368.17923	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	367.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56420	0.1
58.02998	0.1
59.01379	0.1
60.34289	0.1
61.98838	100.0
62.04002	0.1
69.30602	0.1
75.09217	0.1
78.60922	0.1
92.11824	0.1
153.57709	0.1
168.14012	0.4
169.14334	0.1
170.14598	0.1
234.57605	0.1
243.89792	0.1
281.60300	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	367.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82807	0.3
55.01902	0.5
56.46344	0.2
57.03454	0.7
58.43804	0.3
59.01387	100.0
59.04103	0.3
59.40461	0.2
71.01380	6.5
73.02953	2.0
80.96500	0.3
83.01409	1.6
83.05024	0.6
85.02977	1.8
89.02427	2.7
92.59235	0.3
95.01351	0.5
98.23881	0.3
99.00897	0.6
101.02424	5.4
113.02431	2.8
119.03529	1.3
123.04523	0.4
132.90144	0.3
134.03780	0.3
143.03526	0.4
143.10306	0.3
143.55135	0.3
161.04567	5.5
162.02350	1.2
171.11887	0.4
179.01741	0.5
195.04948	0.4
201.12869	0.4
261.18591	0.4
275.16599	0.5
277.18100	0.6
279.19824	0.4
303.86908	0.4
305.17828	2.3
307.17648	14.4
323.15155	1.1
323.18790	1.8
349.16504	2.7
367.17633	11.4
384.33762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71719	0.3
53.29698	0.3
59.01381	3.0
60.32996	0.3
60.60561	0.3
61.98824	1.8
79.95673	0.4
86.49021	0.3
123.04494	1.4
133.06453	0.3
137.06099	0.5
137.09673	0.5
156.55026	0.3
165.09215	1.9
165.12865	0.8
167.14412	0.5
189.12886	3.6
191.14410	0.6
203.14601	0.4
207.13991	0.4
207.57054	0.4
217.15982	0.6
225.15059	0.7
235.13365	0.4
261.22241	4.0
287.20245	1.4
305.21252	100.0
306.21732	2.1
323.22266	8.1
349.23895	6.4
367.25040	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	367.2643
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
50.09346	0.2
58.24645	0.2
59.01371	0.3
69.48083	0.3
93.27171	0.2
104.70290	0.3
117.60126	0.3
133.06610	2.9
149.09726	94.4
149.72647	0.3
150.10065	0.6
189.12939	0.5
205.15994	100.0
206.16328	0.7
367.26453	98.3
368.26932	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	368.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	92.9
61.98811	100.0
71.58807	62.3
73.77533	54.9
75.04281	61.6
78.89075	66.8
80.96476	67.0
110.39169	62.9
134.04626	76.3
146.23868	85.0
163.11302	83.9
205.93324	69.1
284.46097	75.0
368.23309	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.3173
Annotation	Semiplenamide F
Peak:m/z	Relative Intensity
59.01361	0.4
59.38692	0.5
59.62167	0.5
61.98804	0.6
69.47694	0.5
73.12080	0.5
81.06847	0.6
103.66422	0.5
126.77165	0.5
130.08728	100.0
324.32797	6.5
368.31738	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82295	0.8
55.01880	9.7
55.47370	0.6
57.03455	36.6
59.01370	3.7
61.98819	0.5
64.17706	0.6
66.45651	0.6
67.01873	1.2
67.47694	0.5
71.01385	6.5
72.99293	1.5
73.02922	1.6
75.00854	1.6
83.01379	12.8
84.02158	2.4
85.02946	100.0
93.37405	0.7
101.02435	6.0
101.83877	0.8
111.00877	26.1
111.01650	0.9
111.31329	0.7
119.05007	26.8
129.01003	1.2
129.01933	34.6
129.02869	1.2
145.02950	2.4
148.37772	0.7
161.04590	1.4
163.03996	20.5
173.00935	0.9
187.02440	1.5
205.03540	19.9
223.04604	26.5
348.78848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	7.5
57.03200	1.5
57.03457	29.8
57.27593	0.6
59.01373	3.7
61.98823	2.8
67.01899	1.6
71.01375	9.6
72.99290	3.0
73.02943	3.1
75.00854	1.1
83.01384	11.8
84.02155	2.7
85.02947	100.0
92.11803	0.9
99.00846	0.9
101.02438	6.5
111.00163	1.2
111.00878	24.4
119.05004	15.1
129.01935	31.8
129.35924	0.7
133.02943	0.9
139.28491	0.8
145.02977	1.1
147.02975	1.2
161.04652	1.1
163.03996	12.7
187.02510	1.5
188.30464	0.8
191.01871	1.2
191.38376	0.8
193.93741	0.7
205.03560	22.6
223.04630	28.8
276.17905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	8.5
56.50852	0.6
57.03198	1.3
57.03460	31.0
59.01397	6.0
61.98826	2.5
67.01884	1.0
68.56864	0.6
68.93037	0.7
71.01377	6.8
72.99310	1.1
73.02946	3.1
73.75665	0.7
75.00861	1.2
78.00062	0.6
83.01393	13.1
84.02153	1.6
84.26170	0.6
85.02954	100.0
85.86954	0.6
87.00845	1.5
89.02467	0.9
100.04163	0.6
101.02438	6.0
111.00160	1.3
111.00874	26.2
113.02389	0.6
119.05015	33.1
129.01938	36.5
132.05544	0.8
136.80545	0.6
138.35851	0.7
145.02916	1.1
161.04543	1.1
163.04016	24.3
187.02565	0.7
191.02104	0.8
205.03539	21.2
223.04588	26.1
369.07941	0.8
369.12170	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	369.1919
Annotation	CHEBI:66791
Peak:m/z	Relative Intensity
55.94356	0.2
57.03444	1.2
58.00607	5.1
59.01367	0.6
60.14715	0.3
63.46416	0.3
71.01364	0.6
73.02946	3.0
80.82340	0.3
81.43963	0.3
83.05013	0.4
85.02940	2.7
87.04512	5.5
95.05009	0.6
98.95460	0.3
99.04469	0.6
106.06601	0.6
111.00859	0.5
113.06084	11.0
114.06387	0.3
121.02977	0.5
123.08139	0.5
129.01897	0.6
130.60687	0.3
133.98341	0.3
137.02281	0.3
147.18990	0.3
150.05621	0.3
151.07645	2.7
167.98152	0.3
189.12823	0.5
205.12404	0.4
207.13911	5.0
218.02290	0.3
219.13855	0.4
221.19081	1.9
231.17714	0.6
233.11914	2.1
235.17099	0.5
243.13873	6.3
247.17001	0.6
249.18581	2.3
251.17787	0.5
251.20155	4.5
255.13948	0.4
259.17020	1.7
261.15012	2.4
261.18680	2.0
271.17017	1.4
273.14978	1.4
279.19678	1.8
281.21060	1.5
287.16425	0.4
289.18045	6.4
291.16037	0.7
305.17532	0.5
307.19131	15.0
308.19623	0.4
325.20215	10.8
325.23596	0.4
327.14999	0.3
351.17947	0.5
369.19183	100.0
370.19382	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	369.2074
Annotation	Phomoarcherin C
Peak:m/z	Relative Intensity
52.24757	0.5
69.32658	0.5
77.57711	0.7
92.25768	0.7
92.65394	0.7
108.02173	8.9
136.01614	5.4
138.44067	0.6
149.06087	1.1
149.09769	2.4
163.11290	100.0
164.08443	23.4
164.11555	1.3
165.09209	22.9
169.76277	0.5
177.09207	23.8
179.10750	2.8
193.08699	52.9
285.74832	0.7
341.21130	0.8
369.20737	82.9
370.21024	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	369.2437
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
54.59356	0.2
70.60085	0.2
92.86504	0.2
104.02669	1.0
124.05309	0.3
133.10223	3.4
147.08177	1.7
149.09758	0.6
151.11281	0.5
161.09778	1.4
163.11290	100.0
173.71098	0.2
179.10780	23.8
187.11263	1.0
192.07925	0.3
193.12343	22.3
279.13870	0.5
280.14590	0.4
296.09073	0.3
307.17282	0.4
309.22357	1.0
321.18353	0.4
337.21786	12.7
369.24399	67.9
370.24854	0.5
392.34814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72503	1.9
54.83088	2.1
58.02987	16.3
68.97814	2.1
70.02979	35.7
73.93209	2.5
82.52545	2.2
88.34911	2.8
96.00906	29.0
104.48970	2.1
113.03584	18.0
114.01971	44.8
115.96876	2.5
127.19773	2.3
131.04651	21.2
217.46237	2.4
254.24973	37.6
280.26483	5.0
298.23828	3.9
325.28757	4.2
351.26602	58.3
369.27594	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	369.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
62.09405	0.3
66.64519	0.3
67.86756	0.4
71.05021	0.6
81.82939	0.4
83.05018	1.4
85.06595	0.3
87.00878	5.9
107.82211	0.3
182.04507	0.4
184.12444	0.4
191.39415	0.3
231.71829	0.3
265.25388	3.1
267.26929	1.7
272.57269	0.3
281.28540	0.7
307.30093	100.0
308.30447	1.6
309.24390	0.4
351.36691	0.4
369.30139	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	369.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
62.09405	0.3
66.64519	0.3
67.86756	0.4
71.05021	0.6
81.82939	0.4
83.05018	1.4
85.06595	0.3
87.00878	5.9
107.82211	0.3
182.04507	0.4
184.12444	0.4
191.39415	0.3
231.71829	0.3
265.25388	3.1
267.26929	1.7
272.57269	0.3
281.28540	0.7
307.30093	100.0
308.30447	1.6
309.24390	0.4
351.36691	0.4
369.30139	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	370.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54869	0.5
54.01875	0.5
58.02977	0.9
59.01390	5.8
61.46669	0.5
61.98805	0.6
64.34523	0.6
68.60480	0.6
70.02984	0.9
71.01383	18.6
71.86760	0.7
88.04037	95.7
89.04371	0.8
91.72543	0.6
92.11753	1.4
93.88033	0.6
96.99297	5.7
114.01953	1.6
115.00364	24.0
132.03001	4.1
254.24936	51.9
255.20618	1.1
255.23296	33.0
298.23923	8.6
308.25861	1.2
326.27060	21.2
352.25015	0.8
370.26028	100.0
371.26440	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.3
59.01387	12.0
60.09703	0.2
61.44319	0.2
65.00330	0.8
65.17596	0.2
67.01881	0.2
70.03157	0.2
71.01390	0.2
74.68592	0.2
81.03453	7.5
81.03934	0.3
83.01386	4.1
95.05013	1.4
99.04508	0.2
105.00130	0.4
107.01401	1.1
113.50507	0.2
114.47659	0.2
121.02959	0.8
123.04514	44.5
125.02436	8.0
139.04077	0.3
148.99124	0.9
149.02454	1.0
151.00380	3.1
163.04007	0.9
167.03493	100.0
168.03839	1.6
191.03514	0.4
197.71004	0.2
209.04544	1.1
371.09897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
59.01386	100.0
61.98835	15.3
71.01377	1.0
81.03452	6.5
83.01385	3.3
85.02949	1.0
101.02438	0.9
107.01376	0.6
121.02992	0.6
123.04511	32.2
124.97672	0.4
125.02412	5.4
125.58113	0.4
149.02460	0.8
151.00351	1.5
163.04028	0.6
167.03491	71.3
189.57454	0.5
201.11485	0.4
217.01424	0.4
307.14050	0.4
308.14517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
54.41885	0.5
55.01887	2.6
57.03452	5.9
58.00592	2.8
59.01389	100.0
61.39408	0.6
61.98836	1.6
62.79322	0.6
63.47979	0.5
71.01385	41.4
72.99309	4.0
73.02946	0.7
78.63250	0.7
78.95881	1.0
81.45278	0.7
82.95403	0.6
83.01363	3.5
85.02464	1.1
85.02953	21.4
87.00877	1.1
89.02444	47.2
91.05521	0.7
93.03436	1.3
95.01367	2.9
101.01768	1.0
101.02438	25.4
111.00865	1.1
113.02446	14.8
119.03506	19.0
120.96337	0.7
121.02949	9.2
122.03722	3.3
123.00875	0.8
124.83397	0.7
125.02438	7.8
128.03537	3.1
129.01918	1.2
129.03888	0.6
134.13811	0.7
137.02524	2.0
147.08167	1.4
149.04570	1.1
151.03938	0.8
152.04805	33.0
153.05594	4.0
161.04659	0.9
167.03502	2.7
167.07156	21.6
167.54678	0.7
170.20906	0.8
179.05612	1.5
184.01962	1.4
191.07149	1.2
197.04578	5.7
203.08179	0.9
265.07288	3.5
276.09958	1.0
371.13541	80.0
372.13937	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10085	0.2
52.16877	0.2
59.01394	100.0
59.14097	0.2
71.01411	0.3
77.35917	0.2
85.02989	0.3
85.79545	0.2
141.62112	0.2
143.94614	0.2
155.33171	0.2
173.75435	0.2
269.10178	0.3
325.30576	0.2
371.16681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
61.98820	0.2
62.78512	0.2
67.21021	0.2
78.40060	0.2
81.15240	0.2
98.58593	0.2
100.07083	0.2
116.68950	0.2
137.02441	0.2
138.03221	3.5
149.09709	1.6
163.11290	100.0
164.11597	1.5
177.09262	2.0
178.10020	0.4
195.10274	0.9
339.23315	43.2
340.23688	1.0
371.22086	0.4
371.31750	0.5
384.92795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.317
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
52.64692	0.2
55.01882	0.4
57.03204	0.4
57.03458	6.8
58.01670	0.3
59.01376	0.3
62.28719	0.3
71.05029	2.7
74.37151	0.3
83.05018	0.5
84.02174	1.7
85.02950	5.6
87.00852	0.3
89.02445	0.5
99.28591	0.3
116.92804	0.3
236.62770	0.3
246.83598	0.3
247.89639	0.3
265.25406	1.6
267.26962	21.6
281.24884	0.7
293.28470	0.4
295.30090	12.0
305.28482	2.0
307.30090	8.2
309.24213	0.4
323.29642	3.5
325.31171	16.1
347.66150	0.3
371.31720	100.0
372.31891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.317
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
54.37542	0.8
57.03426	0.8
57.61500	0.7
59.01377	1.0
62.89487	0.7
72.99303	39.8
75.00865	16.4
79.10127	0.8
87.00842	1.0
92.44870	0.8
116.92841	1.0
128.45168	0.9
132.69826	0.8
153.35530	0.9
189.94324	0.9
191.94444	0.9
283.26547	3.3
284.26837	1.7
295.30090	3.7
356.91946	1.1
371.31686	100.0
382.14487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.317
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
52.93847	1.3
54.77706	1.5
57.13899	1.4
70.08087	1.3
72.99310	36.7
75.00865	16.0
85.14422	1.6
116.99355	1.9
134.93735	1.7
179.48286	1.5
188.35623	1.6
234.17938	1.7
280.53143	1.9
295.30008	1.8
325.31174	2.7
350.99701	1.7
371.31689	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	371.3171
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
54.82748	0.9
55.32253	0.8
57.03462	1.0
59.01388	5.6
61.98824	1.4
69.31237	0.7
71.05025	6.1
75.00861	1.7
85.06607	0.9
93.21813	0.8
127.11271	1.4
128.07451	0.9
136.72011	0.8
137.02458	1.3
138.03223	5.4
149.09761	3.8
150.03221	1.1
153.12802	0.8
153.21614	0.8
155.14441	12.0
163.11293	7.5
169.15979	3.5
172.31172	0.9
177.09270	0.9
181.16055	1.5
190.63965	1.0
195.10258	1.3
197.15485	3.8
199.17081	1.5
199.60864	0.8
218.84654	0.9
226.38391	0.8
229.23279	0.8
253.25261	1.3
281.24887	1.0
289.18280	0.9
307.30215	3.1
314.15393	8.0
323.29556	4.8
325.31192	5.9
339.14633	0.8
353.30569	6.1
369.30246	1.7
371.22217	5.1
371.31699	100.0
372.31955	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.317
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
53.76422	1.0
59.01387	100.0
61.98826	4.9
65.46528	1.0
71.43600	1.1
84.81450	1.1
96.05058	1.1
116.92796	1.4
127.37514	1.3
129.41939	1.2
155.14426	1.9
163.11276	23.5
194.09471	3.1
223.16185	1.3
311.29672	6.2
339.23441	5.9
371.26968	2.9
371.31699	87.1
372.32120	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3171
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
59.01396	100.0
59.27094	1.1
70.86647	1.1
85.02947	1.2
92.12300	1.7
116.92860	1.9
132.55968	1.2
136.83856	1.3
138.03204	2.2
155.14496	1.4
163.11293	14.7
165.41299	1.3
194.09492	6.0
195.10260	2.1
270.57364	1.1
272.92322	1.1
307.30038	1.5
310.50119	1.1
311.20364	1.4
311.29568	5.1
322.85501	1.3
339.23294	5.0
367.16373	1.2
371.22293	2.2
371.31683	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67304	73.1
69.72249	71.3
71.33492	71.0
79.40549	85.5
87.48088	71.5
90.12628	70.8
92.12396	92.3
96.70307	75.4
236.33946	100.0
266.23978	81.4
288.55096	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.69628	10.9
61.98819	16.2
73.95187	12.1
76.06597	10.8
84.91987	12.0
95.28299	12.6
100.08899	11.5
112.06730	13.6
165.48792	13.7
167.58676	13.8
178.52608	12.3
195.08220	12.9
267.51022	12.7
359.09961	13.1
371.31802	18.6
372.32086	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83699	0.6
56.39587	0.7
59.01147	0.8
59.01389	13.4
61.04427	0.6
62.48691	0.6
64.32270	0.6
64.34560	0.7
69.03441	4.9
71.01359	3.6
80.66866	0.7
81.03452	1.6
83.01371	1.2
85.02934	4.1
89.02415	1.3
95.01379	1.4
97.02949	5.3
99.47749	0.9
107.01431	0.9
110.02553	0.7
113.02480	0.8
116.06721	0.7
123.00849	9.6
124.01646	27.1
125.02435	90.1
133.32986	0.8
137.02446	1.2
149.99590	48.7
151.00368	3.2
153.01947	1.8
167.03502	1.5
168.00644	83.6
169.01404	8.8
197.13065	1.0
213.12386	0.9
241.11931	5.1
248.14023	0.7
267.01871	0.9
355.06506	7.2
372.13727	2.9
373.07794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20786	0.2
57.03440	1.8
59.01390	2.9
81.03458	5.4
82.36954	0.3
83.01394	4.4
85.02966	0.6
85.64730	0.3
95.05033	0.7
97.65108	0.3
99.04533	0.3
107.01388	0.7
107.05047	0.5
109.02952	0.4
120.00141	0.3
121.02909	0.3
123.04517	38.6
125.02441	21.2
125.03358	0.8
149.02438	2.6
149.06120	1.5
151.00360	4.0
163.04048	0.4
165.08565	0.4
167.03491	100.0
168.03844	1.4
178.03778	0.4
185.02281	0.6
191.01930	0.4
191.03503	2.1
193.05069	9.1
200.04575	0.3
209.04547	0.6
211.06111	7.7
225.11281	0.5
294.88943	0.4
329.08804	2.7
343.62759	0.4
373.11420	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82922	0.6
55.01884	7.3
57.03458	39.2
58.51159	0.7
59.01379	2.6
71.01378	5.0
72.99312	5.1
73.02946	1.1
74.62273	0.6
83.01388	8.4
84.02165	2.9
85.02949	100.0
86.03258	0.7
93.03457	0.9
99.04514	65.2
109.02977	1.5
109.06585	3.4
111.00878	20.3
111.04476	1.1
113.06065	1.0
113.88644	0.7
121.06573	1.3
129.01933	49.7
130.48653	0.8
139.07643	4.8
145.01407	0.8
147.02985	0.9
147.70274	0.7
167.07138	11.4
173.00885	6.7
190.76981	0.7
229.07181	11.7
273.06161	4.3
275.96454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62508	0.7
53.80029	0.7
55.01890	5.3
57.03197	1.3
57.03466	28.3
59.01383	4.0
59.51717	0.6
60.21147	0.7
65.40640	0.7
71.01377	4.7
71.30698	0.6
72.99333	6.0
73.02933	1.7
75.00856	1.4
79.18252	0.7
83.01390	10.0
83.05046	0.8
84.02168	4.0
85.02956	100.0
94.87328	0.8
99.04518	78.3
101.02456	1.2
109.02956	1.9
109.06609	3.3
111.00886	17.0
111.04516	1.2
111.08157	1.3
112.75021	0.8
113.06081	1.6
121.06573	1.4
123.04472	0.9
129.01941	35.0
139.07681	5.6
147.02994	1.2
151.03864	0.7
167.07130	12.2
173.00900	7.9
187.76186	0.9
229.07173	12.3
273.06198	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	373.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83074	0.3
55.01886	0.3
57.03448	0.4
59.01387	100.0
61.60384	0.3
71.01380	4.7
79.01723	0.3
79.25520	0.3
85.02956	0.5
89.02447	5.5
95.01371	0.3
101.02445	3.1
101.19614	0.4
113.02480	2.0
118.52779	0.3
118.59045	0.3
119.03514	2.2
131.82866	0.4
133.37338	0.4
150.15550	0.4
160.57936	0.3
190.11127	0.4
193.12311	0.5
202.63817	0.3
207.14088	0.4
209.11929	1.4
225.14970	49.7
226.15424	1.2
227.13072	1.3
227.51215	0.3
257.38678	0.3
269.13968	9.2
287.15164	0.8
329.16129	5.3
348.73477	0.4
373.18845	5.1
393.11084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1869
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01889	0.7
57.03465	0.8
58.00611	1.0
59.01390	100.0
60.61595	0.4
64.34911	0.4
71.01390	23.4
72.99313	1.0
73.02949	0.6
83.01379	0.9
85.02960	5.6
89.01879	1.0
89.02446	28.9
92.53642	0.4
95.01371	1.8
101.02435	14.9
111.31123	0.4
113.02444	9.8
115.73791	0.4
119.03489	14.2
131.03474	0.8
138.89128	0.4
143.03526	0.9
149.04668	0.8
161.04576	0.8
179.05711	2.0
181.18736	0.5
193.12347	5.0
218.63577	0.5
225.14973	18.2
226.15170	0.6
269.13950	3.7
329.16364	1.9
373.18677	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	373.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49968	0.3
58.66775	0.2
58.80634	0.2
59.01379	1.2
68.01398	0.4
71.01361	0.6
71.67976	0.3
72.99283	0.3
87.10737	0.2
92.12374	0.5
97.61101	0.2
114.39567	0.4
127.40726	0.3
144.83560	0.3
210.52328	0.3
233.22676	0.4
275.20132	0.4
277.21732	100.0
278.22128	1.4
279.22440	0.4
378.22974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81433	1.0
53.28667	0.9
54.82590	1.0
57.03445	2.8
59.01110	1.8
59.01386	28.6
61.65123	1.0
61.98839	1.4
63.87971	1.0
177.31830	1.2
203.08267	1.2
311.26080	11.1
313.23886	100.0
314.24454	1.2
373.25980	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00213	0.3
66.03487	6.0
66.52008	0.3
68.01418	0.8
71.01382	0.8
73.16936	0.4
74.34474	0.3
76.57858	0.3
79.01849	0.4
82.02980	13.4
84.04548	0.4
92.84168	0.4
94.02947	0.5
96.04533	0.6
98.00303	0.4
98.69932	0.4
108.04546	0.8
110.02470	51.3
111.01267	0.7
111.01996	16.6
111.02755	0.7
117.01880	0.5
122.02450	4.0
124.04033	1.7
130.08725	100.0
132.02995	0.5
138.25816	0.4
140.03549	5.6
142.86595	0.4
152.03520	9.8
153.03050	3.8
180.05046	0.4
180.06656	1.9
182.04669	0.8
200.05656	22.6
210.61560	0.4
243.06213	82.9
244.06503	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25722	0.1
54.81231	0.1
59.01394	0.1
61.56034	0.1
61.98833	100.0
63.99261	0.1
68.35260	0.1
69.20996	0.1
71.91411	0.1
92.60328	0.1
97.92097	0.1
155.33926	0.1
217.00336	0.2
240.88757	0.2
241.13434	0.1
246.85912	0.2
283.45508	0.1
296.41486	0.2
369.27478	0.1
372.46576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73255	0.4
51.94510	0.4
59.01388	5.8
61.98839	100.0
86.23942	0.5
97.64500	0.4
121.64287	0.5
131.09192	0.6
137.88576	0.5
152.61386	0.5
174.99287	0.6
216.98474	0.6
217.00296	3.7
228.63512	0.5
293.21432	1.0
315.19626	1.1
335.82965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74503	2.2
54.91172	2.6
59.01110	4.9
59.01388	100.0
59.20110	3.0
61.98537	5.2
61.98832	93.0
82.22068	2.9
85.58705	2.9
97.85900	3.3
149.38036	3.0
174.99243	32.8
190.10025	57.6
203.25038	3.3
214.34094	3.4
217.00313	81.7
238.49771	3.8
247.16962	58.7
333.67783	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	374.247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49807	2.8
59.01384	39.6
61.98839	100.0
65.49241	2.9
70.29621	3.5
71.38573	3.3
80.55138	4.1
87.04493	3.0
90.73798	3.0
148.48804	3.8
174.99268	14.3
217.00333	42.4
295.48874	4.3
378.13147	3.7
398.81671	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	375.12
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02659	0.8
53.70543	0.9
58.02979	8.7
59.01392	13.2
59.67088	0.9
67.53905	0.9
70.02992	1.1
70.30539	0.9
71.01354	1.4
72.00906	8.6
82.02987	19.1
85.02949	6.7
91.05551	1.7
96.08187	1.2
99.04531	1.0
118.06602	3.9
122.06210	1.0
147.04533	44.0
163.56525	1.1
164.07179	100.0
171.10277	6.6
176.03589	2.1
201.11363	7.3
209.11897	1.6
216.11865	1.1
236.17403	1.0
287.14059	44.2
300.10226	1.0
331.09109	2.0
331.13007	35.8
355.25867	1.0
361.10565	2.2
375.20297	1.6
381.79001	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.12
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34805	0.4
57.03443	1.1
58.02968	2.2
59.01393	6.3
61.42731	0.4
61.63512	0.4
62.28119	0.4
66.03493	0.5
69.03472	0.6
70.02977	2.1
71.01385	1.8
72.00542	0.5
72.00919	10.9
73.02947	0.4
74.90347	0.4
80.03537	0.4
82.02963	0.7
83.01371	0.6
84.04549	3.1
85.02959	2.3
86.02458	0.8
87.00859	1.2
89.02448	0.5
91.05521	1.1
91.69286	0.5
98.02477	25.8
100.04035	2.6
101.07240	0.5
110.02496	0.5
112.04060	0.7
112.07686	0.8
117.04562	0.4
118.06612	1.9
122.06129	1.1
124.04066	3.3
145.06639	0.7
147.04539	45.6
159.08116	0.7
164.07190	100.0
165.07599	0.7
166.05121	2.2
183.07724	2.9
209.05740	0.9
210.04082	2.6
214.08890	0.5
227.12891	2.8
251.92336	0.5
255.08806	0.9
267.08057	0.7
287.14035	4.1
313.12134	0.7
313.15338	0.5
331.13052	51.7
332.13202	1.8
357.11078	1.9
357.61093	0.5
375.12100	2.7
375.16611	2.6
375.20865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27417	1.3
59.01384	6.2
59.31219	1.0
63.95930	2.2
63.96242	41.7
79.95733	100.0
80.09937	1.4
80.96494	6.1
91.83871	1.2
95.42357	1.3
96.95976	3.1
132.99644	7.1
183.13931	14.1
191.07530	11.7
195.13884	2.7
228.73103	1.9
244.62277	1.6
277.21582	2.1
293.21167	6.9
295.22858	19.7
333.31076	1.4
340.84125	1.3
357.17319	1.9
375.18497	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25401	0.5
59.01370	0.9
61.98822	0.8
64.27478	0.5
64.34804	0.5
67.57819	0.4
68.79254	0.6
74.99061	2.1
78.95888	4.6
93.00111	3.0
96.96971	1.1
104.98280	0.6
112.41676	0.5
114.38551	0.7
148.16852	0.5
149.00977	0.8
159.08464	13.2
161.06381	5.0
163.11334	2.3
186.38155	0.6
209.01300	2.2
217.07224	2.4
275.05969	0.9
277.07504	2.7
279.23486	0.9
289.07584	2.4
291.09122	97.1
292.09210	3.0
309.10141	3.0
339.23285	0.8
357.13794	2.4
359.15396	100.0
360.15524	2.8
375.18570	7.0
375.26654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
59.01388	100.0
62.44651	0.6
71.01387	0.9
75.91178	0.7
76.61555	0.6
91.46874	0.6
101.02435	0.9
111.31018	0.6
113.02394	0.7
116.22703	0.7
120.18642	0.6
143.10817	1.6
143.14128	0.8
161.04623	1.0
161.99683	0.7
163.56151	0.6
248.48001	0.7
275.75174	0.8
315.18024	1.4
329.27002	1.5
331.05469	0.8
361.62936	0.9
375.20291	1.0
375.27676	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	375.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82937	0.5
59.01384	0.5
59.68113	0.4
68.01405	0.9
72.39791	0.5
78.95895	6.2
88.55061	0.4
92.11687	0.5
96.96945	2.2
100.95869	0.4
157.80258	0.5
159.08409	0.8
163.11342	1.0
221.94565	0.5
226.07939	0.5
279.23306	100.0
291.09152	4.5
359.15298	4.6
375.26483	1.0
380.11621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74467	4.4
56.75434	5.0
59.01370	4.6
59.06053	4.2
61.67542	4.7
63.25491	4.9
63.61107	5.1
78.95912	32.9
81.57499	4.9
86.08701	4.7
88.19209	5.6
92.11760	5.6
92.65657	5.0
96.96987	6.8
149.43054	5.3
183.52678	5.0
204.66757	5.9
279.23285	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	375.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83089	0.2
56.42353	0.2
59.01389	100.0
61.98843	0.3
80.20747	0.2
80.42314	0.2
116.92828	0.2
144.02472	0.2
145.97845	0.2
163.11400	0.2
207.91212	0.2
250.97351	0.2
259.42065	0.2
271.23309	0.2
277.21793	0.8
302.22159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15741	6.7
52.68723	8.0
69.82184	8.6
71.28234	8.2
78.95914	100.0
79.87898	8.9
95.94073	9.3
96.96959	42.2
104.84436	9.1
163.11301	91.1
250.13264	9.3
291.09244	19.6
339.23413	60.0
359.15277	18.3
375.26312	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	376.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73477	0.2
57.92131	0.3
59.01386	3.6
61.98835	100.0
74.61354	0.2
96.95970	0.3
168.38495	0.3
169.04808	0.3
178.92526	0.3
215.46803	0.4
253.02031	0.3
341.11072	0.4
377.08664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.6
59.59768	0.3
61.98836	100.0
78.95914	0.7
92.58234	0.3
101.00491	0.3
115.24152	0.3
167.06224	0.3
218.00710	0.6
331.19742	0.3
341.11081	0.4
377.08627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64980	2.1
50.96741	2.3
56.99557	2.3
59.01395	37.7
64.70501	2.2
65.94577	3.0
71.01387	24.4
71.01702	2.5
73.70921	2.4
74.09968	2.4
89.02439	39.8
101.02435	16.8
113.02451	16.6
115.00353	4.4
119.03490	12.8
133.01436	6.1
175.35312	2.6
179.05550	11.0
179.86699	2.9
215.03268	19.1
248.62517	3.6
256.75827	2.9
341.10904	100.0
374.31329	2.7
377.08624	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1428
Annotation	Abafungin
Peak:m/z	Relative Intensity
59.01399	0.2
60.98114	0.2
61.98840	0.3
76.55602	0.3
84.93892	1.4
99.92587	73.0
100.92699	0.5
100.93365	3.2
104.90807	0.3
115.91238	0.5
115.92077	34.8
116.92858	100.0
117.92856	1.2
132.92256	0.3
165.59918	0.2
171.94833	0.3
229.01872	0.3
277.21786	1.3
278.21957	0.9
279.22543	0.3
282.05328	0.4
290.06223	0.3
308.07224	1.6
309.08038	0.3
315.14444	0.3
333.15146	0.3
359.13168	0.9
373.11276	2.2
377.14285	37.7
378.14465	0.5
380.49136	0.3
387.08932	0.3
391.12326	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	377.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39464	0.4
55.76419	0.5
57.03451	0.9
57.09880	0.4
59.01388	23.9
61.98835	1.2
63.97142	0.4
80.91662	2.2
83.05015	0.5
91.26398	0.5
95.05018	8.3
96.95984	2.6
97.06541	0.5
104.27018	0.5
105.81815	0.5
113.09702	3.1
179.14536	0.7
183.30249	0.6
195.13913	26.7
217.12096	1.2
238.78011	0.5
247.09665	0.7
249.22308	1.2
277.18842	0.5
277.21716	22.3
278.11319	8.2
295.22806	100.0
296.23123	1.2
315.19586	1.3
317.21002	48.3
318.21402	0.8
329.16013	0.6
341.11044	0.7
341.23596	0.5
361.20041	4.8
377.23080	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	377.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	33.1
61.98824	2.8
75.71789	0.6
97.06618	0.8
115.57642	0.8
125.09679	1.0
130.61708	0.7
141.12804	1.0
148.57114	0.6
171.10265	32.2
171.11697	1.4
183.10309	3.3
188.89221	0.8
195.13898	4.2
267.12482	0.6
277.19257	0.8
277.21729	45.4
295.22809	100.0
296.23105	0.7
317.21100	1.7
341.10956	2.5
377.08728	1.1
377.23157	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30397	0.1
54.07784	0.1
54.82530	0.1
59.01384	0.2
59.61026	0.1
61.98836	100.0
67.50562	0.1
69.11492	0.1
94.91909	0.1
116.85989	0.1
119.91785	0.1
307.15555	0.1
383.64435	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	378.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99782	0.1
58.42641	0.1
61.98839	100.0
78.95928	0.5
88.50291	0.2
102.90860	0.1
113.36303	0.1
125.50131	0.2
141.59393	0.1
155.41449	0.1
168.13049	0.1
188.91629	0.2
228.67810	0.2
263.37201	0.1
308.50815	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	378.3017
Annotation	N-arachidonoyl dihydroxypropylamine
Peak:m/z	Relative Intensity
61.98828	11.1
63.08413	1.1
85.06535	1.3
92.62360	1.6
123.04509	3.3
165.09166	5.5
170.01689	1.3
208.25499	1.6
230.49323	1.6
277.65182	1.3
305.21375	11.4
317.24432	1.5
331.88391	1.7
334.04291	1.6
360.29086	21.1
378.30197	100.0
379.30359	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	378.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83008	0.2
58.02991	0.3
59.01387	0.3
59.76795	0.2
61.71423	0.2
61.98834	0.3
65.49895	0.2
69.45370	0.2
69.54646	0.2
73.34055	0.2
81.21745	0.2
81.85450	0.3
90.38091	0.2
92.66277	0.3
107.60790	0.2
114.09234	2.7
116.07170	100.0
117.07507	0.5
153.09988	0.3
195.84541	0.3
219.48421	0.3
300.77322	0.3
334.31128	2.1
368.95123	0.3
378.30188	53.8
379.30554	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	379.004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84223	0.5
58.37737	0.6
59.01385	12.8
59.59085	0.5
61.98832	3.2
62.62699	0.6
64.34505	0.7
79.58730	0.6
88.73967	0.5
89.53137	0.6
92.11726	1.6
116.92834	1.0
134.96153	0.6
150.99187	3.2
152.97113	5.4
159.01451	0.7
174.87495	1.3
176.87160	5.1
176.97086	0.7
190.97017	0.9
192.95100	2.8
194.98172	66.5
201.02538	6.2
203.02354	2.6
208.98270	4.6
210.96178	8.8
224.25984	0.6
234.96132	4.9
236.99269	3.9
250.93137	0.6
250.99313	7.7
252.97223	70.8
253.97403	2.6
276.97168	14.4
276.99954	1.1
294.98291	100.0
295.86343	0.9
295.98441	2.7
318.98331	3.2
324.96133	0.7
336.99377	81.2
337.99554	3.2
367.10281	0.7
379.00482	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	379.1585
Annotation	DMH-1
Peak:m/z	Relative Intensity
50.00581	0.3
51.61277	0.3
51.61522	0.3
52.99207	0.2
56.03027	0.3
74.58920	0.2
81.93285	0.3
84.93880	1.8
91.08810	0.3
99.92579	65.1
100.92676	0.7
100.93349	5.6
115.92072	29.2
116.92855	100.0
117.92816	0.5
117.93654	0.4
168.00775	0.3
250.88737	0.3
265.69528	0.4
284.83517	0.4
317.15771	0.4
328.66898	0.4
335.16818	1.4
349.14832	0.4
361.14902	0.5
375.12735	1.6
379.15872	47.1
380.16037	1.3
393.13953	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	379.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.3
57.03458	100.0
59.01388	63.5
67.82468	0.7
71.00758	0.7
71.01385	16.2
71.38917	0.7
73.02937	6.5
75.00852	0.8
81.03456	1.2
83.01387	6.0
85.02945	11.5
89.02448	1.4
92.12422	0.7
95.01396	0.8
99.00870	2.8
99.04511	51.0
100.04850	0.7
101.02441	33.6
112.82317	0.8
113.02471	7.2
125.02440	14.5
132.04541	1.0
161.04572	7.1
163.84866	0.7
175.54179	0.7
235.11882	31.3
277.12839	1.0
337.29117	0.9
379.16089	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	379.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82940	1.6
55.01887	1.5
57.03458	100.0
58.30090	1.3
59.01387	74.6
60.99310	3.4
71.01387	14.9
71.56444	1.3
73.02947	14.6
74.02468	3.4
77.80639	1.3
82.22436	1.4
83.01395	2.8
85.02950	11.0
87.04499	2.0
88.98806	39.6
99.00874	2.6
99.04516	47.8
99.20959	1.3
99.85391	1.4
101.02438	28.9
113.02447	6.9
116.05048	1.2
117.03535	1.8
119.82962	1.2
125.02439	12.3
143.03502	2.0
155.52266	1.3
159.51379	1.2
161.04591	7.8
164.07216	2.4
171.10301	2.1
188.09421	1.3
201.11395	7.5
203.08356	3.4
205.82091	1.7
209.86096	1.5
235.11908	29.4
237.69446	1.6
245.09328	8.8
252.04347	3.1
253.05081	37.7
254.05429	1.7
263.07101	1.6
277.12836	1.5
291.06857	1.9
319.06281	7.0
379.16241	3.0
379.19159	2.8
379.23419	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1763
Annotation	Hebeirubescensin H
Peak:m/z	Relative Intensity
63.76324	0.4
67.68213	0.4
72.93607	0.5
76.86686	0.5
84.94087	0.5
137.55531	0.5
140.52109	0.5
198.45053	0.5
215.14449	3.7
223.11333	2.0
225.12923	3.1
227.14430	85.3
239.14391	4.5
241.15993	22.1
243.15047	1.0
243.17543	28.1
245.19101	6.4
255.17549	14.9
261.18616	0.9
269.15518	13.7
273.18665	8.7
287.16544	100.0
288.16809	0.9
291.19672	1.1
299.16571	2.6
305.17548	2.8
313.14523	1.2
316.67722	0.5
317.17499	5.6
335.18677	1.0
343.21335	3.4
349.16714	0.8
361.16565	8.2
372.93735	0.5
379.17648	98.0
380.18082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48451	0.6
54.82908	0.7
59.01110	1.0
59.01388	21.9
61.98826	0.7
89.61008	0.7
99.73222	0.7
100.87335	0.6
101.13428	0.7
106.66240	0.6
155.10800	1.5
171.10278	4.9
189.09712	0.7
203.75583	0.7
214.60042	0.7
239.35863	0.7
279.23297	9.6
297.24384	100.0
319.22617	5.9
330.80267	0.9
379.24759	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	379.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82750	0.8
55.58263	0.4
59.01112	0.8
59.01386	18.4
59.63713	0.4
61.98817	0.8
71.71068	0.4
73.68715	0.5
80.91679	0.7
84.58399	0.5
90.05647	0.4
91.94501	0.4
92.11629	0.7
96.96001	2.0
113.09718	0.9
128.29688	0.5
183.13901	60.6
219.10001	0.5
223.13142	6.6
227.08215	0.5
231.98593	0.4
235.09563	0.7
237.11174	0.6
241.14127	0.5
267.12143	6.5
279.23297	8.7
295.22748	0.5
297.24387	100.0
319.22549	5.0
363.21640	2.2
379.24731	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	379.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05244	0.3
59.01389	16.1
61.98829	0.4
65.21242	0.3
80.91663	0.4
92.11702	0.5
94.06810	0.3
99.56064	0.4
125.09678	1.3
127.11280	2.5
132.01982	0.3
137.33371	0.3
140.76968	0.3
153.12820	0.8
171.10275	11.9
193.08569	0.4
249.22314	0.3
251.23779	0.4
271.14536	0.4
279.23303	15.2
295.22711	0.5
297.24371	100.0
298.24841	0.7
317.20956	2.6
319.22562	7.9
343.28561	0.7
363.21719	2.6
379.24707	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	380.1562
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.50954	0.4
53.65796	0.4
54.69434	0.4
55.01878	0.5
57.03453	4.6
59.01389	29.1
60.70424	0.4
61.98824	0.8
65.04684	0.4
71.01386	40.3
71.04666	0.7
71.05025	10.0
72.01717	0.6
72.99298	1.1
73.02933	2.4
73.04081	0.8
74.02469	0.8
75.08776	0.5
82.94558	0.5
83.01373	3.0
85.02956	10.9
88.04035	7.1
89.02440	10.5
95.01396	0.7
99.04495	5.1
101.02434	12.8
113.02444	5.6
116.03523	0.6
116.05019	1.0
116.07163	1.1
119.03458	3.8
119.04974	0.6
125.02422	0.6
127.05131	0.6
128.03525	2.6
128.07184	3.7
146.08229	66.8
157.07751	0.7
161.04591	2.0
200.09320	0.8
203.08324	3.6
218.10321	0.7
308.13464	6.0
342.11316	0.6
362.14435	1.2
380.15622	100.0
381.16211	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	380.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82646	0.3
59.01391	6.4
61.98840	4.9
67.64493	0.3
72.99303	1.2
74.02467	0.4
75.00872	100.0
75.07535	0.3
79.56961	0.3
87.00891	1.6
93.03461	0.3
108.04546	2.5
108.75275	0.3
109.02967	2.4
123.00872	1.9
124.01671	4.7
134.02487	2.6
135.03267	2.0
136.01657	0.6
136.04048	6.7
139.04004	4.1
151.04066	1.3
168.13948	0.4
176.03613	0.4
211.35092	0.3
217.00348	1.8
225.14238	0.3
288.16110	13.8
306.85971	0.3
376.13016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18751	0.4
58.44635	0.4
59.01392	5.4
60.43048	0.4
61.98848	4.6
62.28621	0.4
72.00919	0.9
72.04539	4.4
74.02479	100.0
76.42452	0.4
79.95719	0.6
84.04553	1.0
94.30031	0.5
95.02400	0.5
95.03114	0.4
96.96003	3.8
102.06738	0.4
102.37347	0.5
117.51344	0.6
118.05109	2.5
216.06519	0.6
217.00299	2.2
290.25073	5.6
292.26505	4.2
297.30658	0.4
299.20221	25.3
309.93997	0.6
318.24460	22.0
318.27988	1.8
336.25482	47.8
337.25769	0.9
380.28091	30.8
381.20319	4.2
381.23672	3.2
381.27905	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31959	0.2
59.01387	100.0
61.98825	0.2
78.71844	0.2
92.11835	0.3
113.84756	0.2
132.98317	0.2
134.75563	0.2
174.99318	0.5
217.00450	1.3
225.80647	0.2
297.24374	0.4
298.24774	1.0
320.26202	0.5
344.28995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57898	0.1
54.07892	0.2
61.98836	0.2
84.93871	0.8
99.92577	58.2
100.92659	0.5
100.93356	3.2
115.92072	30.8
116.12391	0.2
116.92853	100.0
117.92836	0.4
117.93621	0.4
127.95710	0.4
131.91551	0.3
132.92325	0.3
149.92133	0.2
156.22415	0.2
172.97839	0.2
251.23788	0.8
267.23410	0.3
281.24893	0.2
335.24368	0.2
337.18423	1.1
351.16318	1.3
369.17297	1.6
381.17438	59.5
382.17697	1.3
395.15344	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.192
Annotation	Xerophilusin V
Peak:m/z	Relative Intensity
56.36262	0.2
57.03457	3.1
59.01395	0.3
60.06796	0.2
62.83488	0.3
69.03454	1.4
74.92194	0.3
83.05029	0.6
95.05023	4.1
97.06587	0.6
109.62510	0.3
123.08162	1.3
125.09693	0.5
135.08180	2.5
135.09053	0.3
137.09711	3.5
153.09227	0.3
175.11253	1.9
181.08723	0.6
199.09743	1.7
203.14542	0.5
215.14442	1.6
216.11436	0.4
217.12363	6.1
231.13840	2.3
232.14700	0.5
233.15508	4.2
243.13870	0.6
243.17650	0.4
245.15504	0.4
245.19138	0.4
257.15561	0.5
259.13409	1.6
261.14957	1.8
261.18671	1.2
263.20102	0.4
271.17239	0.4
273.18546	1.4
275.16574	10.4
285.14926	0.4
289.18109	1.9
291.19681	8.2
301.18359	1.0
309.20761	0.4
319.19122	5.5
335.18671	36.2
336.19183	0.6
337.20255	3.6
363.18167	38.4
364.18610	1.4
381.19220	100.0
382.19730	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	381.232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.2
61.98825	1.8
79.95740	12.1
95.95220	1.7
96.96001	81.7
109.16563	0.8
122.97552	4.8
124.87318	0.9
146.82503	0.8
217.00363	5.0
244.45781	1.0
302.57632	0.9
381.23190	100.0
382.23853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2438
Annotation	Precyclocitrinol B
Peak:m/z	Relative Intensity
58.45657	0.8
59.01392	11.9
60.60246	0.8
61.98835	1.5
74.02467	1.2
78.01530	1.1
79.95763	1.4
84.32403	1.0
87.57793	0.8
96.95419	1.8
96.96006	33.7
122.97491	1.1
163.11290	100.0
174.99356	1.9
190.10025	5.9
194.09427	1.1
205.12358	78.1
217.00337	4.8
217.12363	6.7
243.56277	1.1
299.20380	1.5
299.25919	25.8
343.04089	1.0
381.24072	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91318	0.7
54.82532	0.7
57.03443	1.1
59.01394	9.7
61.98846	0.9
65.08669	0.7
71.05015	9.0
77.46236	0.9
85.52755	0.8
145.73331	0.9
161.06674	0.9
179.06586	0.9
211.20750	12.0
216.09883	0.9
225.22264	12.7
253.25374	18.6
281.25052	1.0
297.24503	1.5
299.25949	100.0
343.61426	0.9
363.18784	1.4
381.26294	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	381.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70889	0.9
53.12405	1.0
59.01389	9.5
61.98837	2.6
72.72517	1.0
84.04649	1.0
87.00899	1.5
95.02353	1.0
98.05886	1.2
109.06553	1.3
170.05870	6.1
177.97768	1.2
181.12370	1.6
199.11800	1.1
199.13449	6.2
217.00354	6.0
233.18997	1.1
251.20215	1.6
277.18109	99.8
278.18436	1.8
279.19702	18.4
295.19174	100.0
296.19479	1.4
343.28589	1.5
363.25412	17.1
381.26468	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	381.2803
Annotation	Strongylophorin 22
Peak:m/z	Relative Intensity
59.01365	0.6
72.96607	0.6
83.98499	0.5
92.63367	0.6
101.38050	0.5
139.09453	0.6
147.08165	0.7
149.09711	4.8
155.47124	0.6
163.11288	100.0
205.15990	94.0
206.16357	1.3
219.17578	2.8
237.28224	0.6
237.43532	0.7
381.28036	96.3
382.28314	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	382.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55466	1.1
59.01387	5.5
66.52532	1.1
68.20637	1.2
73.13177	1.3
82.95418	9.1
84.04531	2.3
91.56293	1.3
113.02454	1.6
136.30119	1.3
141.88817	1.2
152.55136	1.4
188.56757	1.5
304.26468	100.0
305.26727	6.1
382.24268	18.6
399.08078	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70521	0.2
54.82921	0.3
59.01368	1.8
59.32428	0.2
61.98822	0.6
71.01357	0.3
74.66495	0.2
75.34011	0.2
93.77178	0.3
113.02402	0.4
161.04625	0.3
162.10506	5.4
163.11285	100.0
164.08502	0.5
164.11583	0.3
179.10757	1.5
194.09494	9.9
206.15512	43.9
218.00537	0.3
323.10013	0.5
382.27563	64.1
383.06940	0.3
383.27814	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39392	0.1
59.01388	100.0
61.98848	0.2
82.43275	0.1
89.68743	0.1
92.11835	0.2
96.96033	0.2
109.76754	0.1
112.58756	0.1
163.11407	0.2
164.11624	0.2
182.61377	0.1
201.31581	0.1
204.76970	0.1
216.50597	0.1
229.85995	0.1
320.26138	0.3
322.27554	1.1
382.24329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11584	0.4
53.08733	0.4
54.28761	0.4
57.68473	0.4
59.01388	100.0
61.01136	0.5
61.98851	0.5
69.50423	0.5
71.01398	0.7
74.45359	0.5
89.02454	0.7
96.96008	4.5
100.28873	0.5
117.28395	0.7
143.72276	0.6
163.11314	2.3
164.11606	0.6
170.79906	0.7
260.58151	0.5
323.09909	0.9
382.24075	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	383.0778
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
57.00852	0.2
59.01105	0.4
59.01387	9.4
61.98833	1.3
68.99810	0.9
71.01378	0.4
72.58051	0.2
77.60771	0.2
89.02441	1.0
93.03477	0.2
98.01814	0.3
101.02406	0.3
110.25848	0.2
113.02460	0.9
119.05015	1.1
121.02948	100.0
122.03291	0.4
145.02982	1.2
147.04492	2.8
149.02452	1.5
173.02490	0.4
180.05835	1.2
181.06569	4.4
191.03493	10.0
217.05232	0.8
223.07617	0.3
225.05592	7.9
235.13483	0.6
251.07172	3.0
264.39722	0.2
270.75125	0.3
295.06116	8.0
296.06451	0.3
311.09280	9.7
313.07224	14.7
314.07538	0.3
323.09796	1.0
339.08762	10.7
383.07779	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	383.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66391	0.3
55.01881	1.0
57.03421	0.4
58.79530	0.4
58.99612	0.5
59.01151	0.4
59.01393	6.3
71.01383	12.0
72.09864	0.4
73.02950	4.3
83.01401	1.1
85.02946	8.0
87.00874	27.3
87.02724	4.8
89.02436	1.1
92.65530	0.6
95.01358	1.1
99.00887	1.2
101.02430	6.0
113.02459	6.6
115.05864	0.5
121.48000	0.5
123.98875	0.5
129.01926	0.7
131.05324	2.5
133.06929	100.0
134.07361	0.6
135.04515	4.8
146.03741	9.4
161.04578	5.0
161.06055	2.6
164.04800	6.9
179.03503	2.4
179.07158	8.5
193.91345	0.5
203.07495	3.6
232.45291	0.5
249.06172	20.2
323.09863	0.7
383.13879	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	383.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31863	0.3
59.01389	2.8
61.39183	0.3
71.01369	0.4
73.02939	0.3
85.02951	0.6
89.02417	1.3
99.95611	0.4
103.85377	0.3
107.05048	0.6
109.02969	0.5
113.02453	0.7
121.02950	100.0
133.06584	5.8
149.06076	1.4
171.08165	0.6
187.11339	1.4
199.11340	0.5
202.09985	0.4
217.12415	0.5
234.23082	0.3
239.18961	0.3
268.45465	0.3
272.10513	0.6
317.16568	0.4
323.09891	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57935	0.8
54.41013	0.8
54.82736	0.8
55.47861	0.8
57.23670	0.9
59.01388	100.0
61.98831	12.8
71.01387	2.2
71.86346	0.9
85.02947	1.5
92.11749	0.9
101.02399	1.1
113.02425	1.8
125.40067	0.9
163.11327	6.3
183.01233	1.6
200.13792	1.1
207.10208	1.5
266.61954	1.0
279.23215	9.5
288.62943	1.1
297.24390	52.0
323.09833	4.1
325.18405	7.1
339.25433	34.7
356.37305	0.9
383.22324	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	383.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.9
60.01716	0.2
61.05101	0.1
61.98835	100.0
64.92858	0.2
70.17879	0.2
71.01379	0.4
71.41730	0.1
89.02483	0.2
92.11642	0.4
104.01767	0.2
113.02466	0.4
139.95575	0.2
161.04665	0.3
176.19012	0.2
177.09274	0.8
179.10883	0.2
183.01199	0.2
193.12337	0.2
262.39633	0.2
323.10022	0.9
325.18646	1.2
383.22183	0.3
384.16455	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2762
Annotation	(-)-Mycestericin E
Peak:m/z	Relative Intensity
54.83464	0.4
56.50370	0.4
59.01393	6.5
61.98826	2.9
74.02473	2.3
78.40720	0.6
80.64352	0.6
82.02979	1.0
84.04548	6.5
85.02974	1.4
87.56814	0.5
100.04055	0.8
100.07683	1.1
102.05608	92.2
102.58133	0.5
103.05921	0.6
104.31355	0.5
107.99751	0.6
111.24555	0.5
112.07687	0.9
128.03532	85.8
129.03793	0.6
138.93015	0.5
139.75980	0.6
146.04596	12.0
162.26591	0.5
237.22354	1.0
241.43196	0.6
248.54100	0.5
254.24945	6.4
254.27367	0.8
255.23309	60.8
256.23627	0.6
280.26471	0.6
294.28040	2.6
296.29626	19.1
322.27573	2.2
340.28610	13.6
366.26575	10.7
384.27603	100.0
385.27966	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	384.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92271	0.2
54.92629	0.2
59.01387	100.0
61.58462	0.2
74.84737	0.3
119.13377	0.3
149.73247	0.3
324.29010	1.0
355.77304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25462	0.1
55.01861	0.2
57.03462	1.2
57.92684	0.1
59.01387	2.6
61.98830	0.2
64.18248	0.1
66.29290	0.1
69.03447	0.1
71.01380	1.1
72.99301	0.2
73.02946	0.3
80.96501	0.2
81.03461	0.7
82.95436	0.2
83.01375	0.2
84.04527	0.3
85.02953	2.9
87.00890	0.3
88.98810	0.3
89.02429	0.3
91.74738	0.2
93.03458	0.7
95.22240	0.2
96.95998	1.1
101.02437	0.3
106.04246	4.7
107.05035	1.4
108.02176	1.2
109.02972	0.2
111.00874	0.2
119.04162	0.2
119.05016	6.5
121.02946	0.3
123.04507	0.3
135.04550	0.8
137.06085	100.0
138.03207	0.3
138.06439	1.9
149.02428	3.2
162.02313	2.0
163.04027	0.6
164.04819	1.9
167.03595	0.2
174.01706	0.9
178.12425	0.2
179.07161	0.2
191.02028	0.8
200.30963	0.2
208.03822	0.3
223.06133	2.0
273.18494	0.2
318.13080	0.2
349.15112	0.3
385.11487	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	385.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34306	0.7
55.01883	1.5
55.59098	0.6
57.03454	8.9
58.00579	0.9
59.01388	100.0
61.98824	1.0
62.32556	0.8
63.18631	0.6
64.82262	0.6
71.01387	37.8
72.99299	3.0
73.02895	1.3
75.00890	1.5
76.58183	0.7
81.03452	1.1
83.01382	1.7
85.02956	53.8
87.00858	2.9
88.04040	0.8
89.02451	43.8
90.72971	0.7
95.01380	3.5
96.76353	0.7
96.95978	1.0
97.85096	0.7
101.02442	18.4
108.03044	0.7
111.00905	1.2
111.10294	0.8
111.99881	1.6
113.02460	13.9
115.00245	0.8
115.02258	0.8
119.03502	18.8
119.05003	1.7
128.38295	0.8
128.60049	0.8
129.01921	3.5
134.03746	3.1
142.05025	0.9
143.03510	1.5
145.03310	6.9
147.02985	3.6
161.04555	5.4
163.04060	0.9
163.98462	0.8
179.05632	6.2
191.02031	9.9
193.05124	0.9
209.03032	1.2
239.85117	0.8
305.29501	0.9
314.74832	0.9
325.09546	4.0
327.10382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92873	0.2
53.55098	0.1
54.43633	0.2
59.01387	100.0
71.01373	0.2
71.51627	0.2
73.02944	0.8
85.02963	0.3
93.56329	0.2
95.95780	0.2
101.02468	0.2
166.74686	0.2
236.83650	0.2
324.85468	0.2
347.17474	0.2
395.81091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74340	0.3
58.56354	0.3
59.01389	1.4
61.94971	0.3
61.98836	100.0
73.72890	0.3
73.95419	0.3
116.15806	0.3
123.90115	0.3
146.92482	0.3
172.57211	0.4
230.76057	0.4
332.96899	0.4
336.59406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72759	0.3
57.42387	0.3
59.01387	100.0
61.98838	0.5
69.98704	0.3
83.75520	0.4
98.72700	0.3
252.53502	0.4
253.25475	2.1
281.24878	8.0
299.25940	63.9
300.26431	0.8
341.27005	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01805	0.1
54.87502	0.1
54.87785	0.1
59.01387	2.6
60.01719	0.2
61.01817	0.5
61.98836	100.0
65.48378	0.1
79.48834	0.1
85.91426	0.1
92.12369	0.1
104.64879	0.1
108.42645	0.1
124.55482	0.1
177.09471	0.1
207.34229	0.1
380.26648	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	385.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.3
59.01372	1.5
61.98840	1.3
83.05019	1.6
85.06574	5.6
87.00887	8.4
100.43526	0.7
112.72819	0.8
125.09694	4.1
155.14481	6.5
167.14452	1.2
169.15999	3.3
195.13930	4.7
234.50728	0.8
281.24826	3.6
290.09509	0.8
321.28122	8.1
323.29608	100.0
324.29910	4.3
326.75204	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22492	0.2
56.17970	0.2
59.01377	0.8
61.98842	2.9
69.01148	0.2
69.47469	0.2
71.01379	0.5
72.00906	14.4
81.31340	0.2
85.02932	0.4
87.92022	0.2
89.02432	0.5
91.05515	0.9
96.96033	0.4
101.02431	0.4
115.09269	0.2
119.03525	0.2
119.05020	0.3
146.06119	0.4
147.04524	49.8
148.04848	0.5
160.04066	0.3
164.07176	100.0
165.07542	1.9
240.74121	0.2
268.23001	0.2
277.42477	0.2
341.10934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.3
61.98839	100.0
62.46383	0.2
65.92570	0.2
67.84265	0.2
80.85123	0.2
116.92932	0.3
119.57146	0.2
169.13950	0.2
171.00250	0.2
183.19041	0.2
262.91382	0.2
343.77814	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.3
61.98844	100.0
79.23474	0.2
92.11703	0.3
93.19892	0.2
132.10158	0.2
140.22200	0.3
163.01491	0.2
172.83263	0.2
183.67532	0.2
192.15250	0.3
212.93663	0.2
252.46326	0.2
376.62869	0.3
393.34921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39953	0.2
57.80798	0.2
59.01387	100.0
61.98840	0.4
69.32655	0.2
103.99435	0.3
105.72924	0.3
120.03262	0.3
133.94829	0.2
220.62006	0.3
229.99217	0.3
313.27603	0.5
326.30872	0.9
407.07333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.80220	0.5
58.51510	0.6
59.01384	100.0
59.66719	0.6
61.52945	0.6
62.48722	0.5
71.01383	17.6
72.19510	0.6
72.99303	1.2
74.97350	0.6
82.51506	0.6
83.01350	2.8
85.02934	5.3
89.02435	16.6
95.01366	1.4
99.78129	0.6
101.02431	11.4
102.97592	0.6
107.88251	0.6
113.02445	6.5
119.03465	5.7
161.84731	0.7
163.11290	6.8
207.10301	13.0
215.22665	0.7
239.11569	0.6
308.02515	0.7
326.37497	0.7
387.16629	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71482	0.5
54.10455	0.5
54.41886	0.5
58.00604	0.8
59.01392	93.5
71.01388	13.3
83.01387	0.7
85.02958	3.0
89.02442	14.0
101.02430	9.4
113.02449	4.9
117.19081	0.6
119.03492	5.4
129.64110	0.6
160.97623	0.6
163.11288	6.5
207.10265	11.1
225.11235	0.6
304.68814	0.6
309.84933	0.8
387.16660	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	387.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10394	0.8
56.89922	0.8
59.01387	100.0
63.00181	0.8
71.01385	16.6
85.02948	4.9
85.41933	0.9
89.02441	14.6
91.65639	0.8
101.02415	9.9
113.02457	7.3
119.03477	6.0
160.73512	0.8
163.11284	14.7
224.46835	0.9
243.39067	1.0
263.07892	1.0
387.16638	88.4
388.16925	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	61.1
59.61005	12.2
61.98843	100.0
62.95089	11.7
69.82590	12.6
80.88802	13.2
81.13712	11.4
87.00874	53.1
98.06642	13.4
143.60045	14.4
305.22403	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14953	16.3
54.26531	17.0
59.01371	100.0
61.98827	25.8
67.87665	17.8
89.02450	23.7
103.04932	22.0
109.10968	22.1
144.78455	22.7
146.86566	25.2
159.94055	20.2
222.59995	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	387.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82476	0.7
55.21831	0.6
59.01392	5.1
60.67286	0.6
61.98834	7.9
63.02060	0.7
66.95140	0.6
69.03442	1.4
71.84203	0.6
88.59404	0.7
89.02416	0.7
109.63645	0.8
170.62807	0.7
172.50943	0.7
255.23318	100.0
307.98416	0.7
323.42767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.4
61.76006	0.2
61.98835	0.2
71.01383	1.1
73.02950	3.9
82.88654	0.2
86.39515	0.2
89.88897	0.2
103.04016	1.0
109.01037	0.2
131.03500	2.6
162.70981	0.3
170.90286	0.2
232.08990	0.2
255.23325	100.0
256.23679	2.7
383.40979	0.2
387.27490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42430	0.4
56.68417	0.4
59.01387	100.0
61.98828	2.6
68.13191	0.4
69.96877	0.4
89.02440	0.6
95.98737	0.5
96.08212	0.5
100.70695	0.5
102.60789	0.6
107.83447	0.5
351.27374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73424	0.1
59.01388	3.4
60.01725	0.4
61.01817	0.4
61.98837	100.0
85.51836	0.2
141.01759	0.2
195.94000	0.2
202.08936	0.2
210.79016	0.2
218.89322	0.2
234.95027	0.2
324.81689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16006	0.6
52.65591	0.6
55.93605	0.5
59.01374	3.5
61.98836	0.9
72.99311	18.8
73.02940	10.3
75.00870	90.8
75.20791	0.7
76.35685	0.6
77.93139	0.6
82.94012	0.7
83.40202	0.6
87.00866	0.6
92.12415	1.7
173.21826	0.7
255.23274	1.2
267.26837	1.1
295.30154	1.2
299.23843	0.8
305.24902	4.9
387.31204	100.0
388.27072	0.8
388.31384	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	388.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03450	1.1
58.00589	0.8
59.01385	100.0
60.01462	0.6
60.01720	9.3
62.80931	0.5
71.01379	18.6
72.01718	1.4
72.99310	0.6
79.95732	0.8
83.01377	0.8
85.02962	5.4
87.00848	0.8
89.02439	16.6
90.02805	1.0
101.02422	7.2
102.02757	1.0
113.02464	5.6
114.02753	1.2
119.03492	4.6
163.11281	22.1
164.11633	19.6
166.67052	0.7
182.15059	0.7
207.55392	0.7
209.11865	2.5
225.94618	0.8
226.08041	0.8
387.16727	12.8
388.16992	88.1
389.18079	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	389.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34508	0.3
53.80890	0.3
54.82461	0.3
55.01880	4.0
56.09321	0.3
56.34346	0.3
57.03454	18.4
57.05516	0.3
58.00637	0.3
59.01385	11.2
68.99805	0.8
71.01383	3.6
72.99302	1.6
74.45811	0.3
75.00858	0.9
83.01382	3.0
84.02165	3.5
85.02946	100.0
87.00883	0.7
89.02451	0.4
100.18683	0.4
101.02407	0.6
103.00364	1.7
111.00879	2.8
115.00370	0.6
121.02944	4.1
129.01932	6.8
147.02995	11.8
153.05595	2.3
173.00909	1.7
191.01971	16.4
197.04564	3.4
209.03032	6.1
209.51263	0.4
247.39622	0.4
247.58182	0.4
275.31506	0.4
371.05878	0.4
389.07413	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	389.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41410	0.3
55.46941	0.3
57.03443	0.7
59.01385	100.0
60.01706	0.5
61.98816	0.4
63.61816	0.3
64.02601	0.4
68.91115	0.4
71.01381	1.8
73.02952	0.4
73.04059	0.4
74.02454	0.5
78.98447	0.4
82.95425	2.0
84.02202	0.5
85.02952	5.2
87.05700	0.5
89.02406	0.5
91.05526	6.2
96.96026	0.6
97.02937	3.1
101.02475	0.6
102.05624	1.9
111.00876	0.5
113.03599	0.7
114.38531	0.4
115.08794	0.6
121.02922	0.5
125.02431	15.2
128.03529	4.3
135.04570	0.5
145.79089	0.3
150.37761	0.5
150.65501	0.4
157.07718	0.7
163.04005	8.3
170.90770	0.4
191.02039	1.8
260.10474	2.1
293.15494	0.5
371.13992	0.6
388.16742	0.6
389.14841	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	389.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09072	0.9
51.79412	0.7
53.68330	0.8
55.01900	12.3
57.03444	6.0
57.34889	0.7
59.01394	100.0
61.98834	1.5
67.05524	1.0
69.90819	0.9
71.01401	7.5
71.04992	1.4
72.99294	1.0
75.00874	24.9
82.95414	2.2
85.02960	11.5
87.00866	1.4
88.04012	1.4
89.02436	7.0
91.22525	0.9
96.96001	1.2
97.01461	0.9
98.95552	4.0
99.04492	2.2
99.92541	3.8
101.02445	6.9
110.34083	1.0
113.02453	1.9
115.92043	6.3
116.92858	18.8
119.08662	2.2
127.07747	1.1
128.03516	1.0
129.01921	7.6
135.08147	1.1
137.09705	7.4
142.82364	0.9
147.03020	9.2
149.02173	1.0
157.06219	1.2
163.07619	1.6
165.02771	1.8
165.04044	42.5
179.10782	1.3
181.08730	12.8
185.11815	1.2
191.01923	1.2
197.10074	1.5
197.11861	38.8
229.07809	1.0
241.10814	32.0
251.56665	1.0
255.06499	1.2
290.79837	1.1
389.00729	1.3
389.14337	46.8
389.18295	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	389.1821
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
54.82448	0.9
55.01885	0.9
57.03455	1.6
58.00590	1.5
59.01389	100.0
60.99307	1.2
61.98829	1.7
62.28233	0.8
71.01383	35.9
72.99303	3.6
73.02942	1.7
79.05557	1.1
82.95392	1.1
83.01390	2.1
85.02961	16.6
89.02443	39.1
92.12350	1.8
95.01392	1.5
96.96047	0.9
101.02433	22.1
111.00890	1.3
113.02452	14.2
119.03502	14.4
127.76815	0.8
147.11813	4.3
179.05635	4.7
191.10768	3.7
203.08157	0.9
209.11852	35.9
262.29666	1.0
291.00089	0.9
361.88696	1.1
389.18253	95.1
390.18869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03453	1.0
59.01383	75.2
61.76376	0.5
70.60118	0.5
71.01374	11.5
71.89615	0.6
73.02952	4.0
83.01374	2.8
85.02946	5.2
89.02411	4.3
92.12421	1.1
95.01359	0.7
99.00869	0.9
101.02430	8.5
113.02438	4.1
119.03465	2.2
136.65538	0.5
161.04556	0.6
175.44333	0.5
194.75038	0.7
209.11931	0.8
370.65430	0.7
389.18185	100.0
390.18594	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	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40182	0.6
55.01891	0.9
57.03439	1.2
58.00589	1.0
59.01385	88.5
60.99301	0.9
69.03447	0.9
71.00986	1.2
71.01380	34.7
72.99306	3.2
73.02934	0.9
79.05511	0.8
82.95413	3.9
83.01378	3.0
85.02952	11.2
85.04070	3.0
86.69637	0.8
88.04023	0.9
88.34949	0.6
89.02436	29.3
90.65806	0.7
91.01887	1.4
95.01360	1.6
96.95970	0.8
98.95583	1.4
99.92568	0.8
101.02434	18.7
104.97393	0.8
113.02438	9.1
115.92094	1.5
116.03967	0.6
116.92841	7.2
119.03497	11.8
119.05003	9.0
128.03508	2.7
133.06897	1.1
135.00862	1.6
136.01794	0.8
146.06088	2.9
147.11809	4.4
153.01901	2.4
157.06137	1.4
179.05614	1.4
191.10748	3.0
209.11848	32.2
227.12941	2.8
241.14580	0.8
255.06618	6.4
286.10349	1.0
320.09232	4.3
327.13855	0.8
380.75583	0.8
389.18201	100.0
390.18896	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	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63289	0.8
53.94534	0.7
55.01894	1.1
55.39462	0.7
57.03455	1.5
58.00599	1.6
59.01386	100.0
60.01706	4.7
61.01801	4.2
63.98577	0.8
64.34308	0.8
71.01382	28.5
72.01698	0.8
73.02937	0.7
79.05544	1.1
83.01392	1.6
85.02962	7.8
87.00854	1.0
89.02437	26.6
89.64963	0.9
90.02760	1.9
95.01405	1.3
96.95977	1.1
101.02433	18.0
103.41822	0.8
113.02471	11.1
118.26201	0.8
119.03490	9.0
120.59984	0.9
147.11752	2.8
163.11292	12.2
164.11630	8.3
165.11787	2.7
191.10803	1.7
209.11882	22.9
380.84549	1.0
388.16977	12.8
389.18036	97.8
391.69324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13534	5.1
55.76437	5.4
59.01388	100.0
80.13483	5.9
82.30370	7.2
84.46598	5.5
85.02920	6.9
89.02448	13.6
91.40324	5.7
125.78477	6.7
151.92960	5.7
164.03822	5.6
195.66492	6.1
199.97882	6.3
203.87210	5.4
279.41000	6.7
349.04349	6.5
395.74643	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	389.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70069	11.4
59.01384	100.0
59.23531	12.4
61.98829	74.7
68.78025	11.6
79.86178	11.5
89.02443	58.8
114.38728	11.2
134.80467	13.2
140.50539	12.1
172.78159	13.2
197.57582	12.1
200.72064	11.6
230.49939	14.3
280.42307	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	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92823	0.3
59.01386	100.0
60.90028	0.3
82.61333	0.3
92.11826	0.5
106.80018	0.4
125.86900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
66.12521	0.3
71.23322	0.3
74.45238	0.3
78.01139	0.4
88.58444	0.3
90.13766	0.3
107.76904	0.4
176.74600	0.4
200.67026	0.6
302.04315	0.4
392.02960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
61.98838	100.0
78.53498	0.2
82.29012	0.2
92.12388	1.0
97.43389	0.2
212.47096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19218	0.4
59.01384	7.5
59.24655	0.4
61.98834	100.0
92.54325	0.5
92.65254	0.6
102.75137	0.4
158.47566	0.5
196.61731	0.6
360.52960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84975	0.1
54.57875	0.1
54.82716	0.1
56.10646	0.1
57.18863	0.1
59.01385	0.4
60.54263	0.1
61.98834	100.0
63.93696	0.1
64.08687	0.1
69.81570	0.1
72.20760	0.2
99.80094	0.2
135.82155	0.2
143.05995	0.2
171.40439	0.2
232.42334	0.2
279.61862	0.2
327.21820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
56.88100	0.9
57.03456	100.0
59.01389	96.4
64.34612	1.0
66.63544	1.0
67.26009	1.0
71.01386	28.1
73.02937	10.8
77.45233	1.2
81.03449	1.7
83.01388	7.0
83.08745	1.1
85.02940	9.5
89.02441	23.8
95.01363	2.8
96.96003	4.6
99.04520	54.1
101.02435	27.3
111.00878	1.5
113.02462	11.1
114.03901	1.1
119.03500	8.7
119.05077	1.6
121.02926	1.6
122.31613	1.2
123.04543	1.7
124.51329	1.2
125.02432	16.5
128.05605	1.2
129.01860	1.5
139.11298	5.1
143.03468	1.6
145.02991	2.6
161.04584	4.8
163.66629	1.1
179.05585	6.0
181.12280	1.8
183.10228	8.5
185.06053	1.6
199.13379	1.6
201.91034	1.2
229.05057	1.9
243.06589	1.4
243.12346	20.1
247.11826	7.5
271.06174	15.2
301.07159	1.4
319.72284	1.4
348.14658	1.3
391.15656	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	391.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01210	0.2
57.21329	0.2
59.01387	100.0
61.98835	1.4
66.14044	0.2
70.17397	0.2
78.95892	2.0
85.02983	0.2
89.41250	0.2
92.11670	0.2
96.38203	0.2
165.33246	0.2
187.34320	0.2
226.01886	0.2
245.81401	0.2
263.10068	0.2
275.92380	0.3
375.74075	0.3
390.07477	0.2
391.18903	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95675	0.2
59.01387	100.0
59.43156	0.2
61.98817	0.8
78.95901	0.5
85.02949	0.3
87.59970	0.2
90.53764	0.2
92.11777	0.5
119.98880	0.3
146.97041	0.2
159.60403	0.2
223.26460	0.3
234.23122	0.2
355.72861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27968	0.5
59.01395	15.7
61.01703	0.4
62.37974	0.4
78.95527	0.5
78.95918	4.8
88.97952	0.5
89.62125	0.5
128.76958	0.5
131.47066	0.5
152.99593	17.1
173.89529	0.6
187.04799	0.7
255.23312	100.0
256.23718	2.8
351.21280	0.6
391.22562	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	391.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02987	30.9
59.01393	19.0
61.98826	3.0
63.76280	1.7
70.02975	37.1
71.02493	3.0
80.49664	1.9
87.05645	2.1
93.94366	2.1
95.71499	2.0
96.00907	28.3
106.49815	2.4
109.13134	1.9
113.03583	18.7
114.01967	40.4
131.04613	20.4
172.54607	2.2
295.22699	4.4
302.24918	2.7
347.27014	2.6
373.24872	52.2
391.26059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94057	0.3
59.01390	1.4
61.98835	100.0
63.83916	0.2
72.37791	0.3
78.95914	0.7
96.96011	0.4
123.04517	2.2
125.02456	0.4
143.74489	0.3
167.03508	5.6
169.93843	0.3
182.81462	0.3
255.08974	0.4
300.42770	0.3
329.08945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72930	0.8
55.93103	0.9
59.01378	1.7
59.76273	1.0
66.03477	6.0
74.17423	1.0
82.02976	16.2
84.28664	1.0
96.04551	1.3
100.04037	5.5
108.04486	1.5
110.02465	67.4
111.02003	15.3
122.02451	4.8
124.04042	1.2
140.03558	7.7
147.06593	1.4
148.04372	86.1
149.04596	2.4
152.03534	9.7
153.03050	2.7
200.05655	25.4
223.86490	1.1
243.06206	100.0
281.36191	1.3
322.60684	1.2
376.93170	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	392.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
61.98837	100.0
63.49199	0.2
63.99252	2.0
123.05552	0.3
127.23859	0.2
147.76462	0.3
160.08487	0.4
165.49080	0.3
181.96581	0.3
195.32784	0.3
275.24606	0.3
345.22159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16859	0.2
52.38741	0.3
58.02974	0.5
59.01388	6.3
60.01701	0.5
61.01815	0.3
61.98829	3.3
69.07609	0.2
72.09934	0.2
79.46278	0.2
80.22729	0.2
108.68162	0.2
128.10818	2.4
130.08728	100.0
131.09058	0.4
143.15936	0.3
146.96158	0.3
280.14828	0.3
337.21686	3.9
338.22162	6.0
348.32855	2.1
356.23108	0.5
372.93610	0.3
392.31760	65.2
393.32022	2.9
398.69019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80171	1.0
51.38699	0.9
54.82589	1.0
56.39566	1.0
59.01368	7.8
66.84933	1.1
69.12663	1.0
83.28156	1.1
87.00881	1.1
89.02439	17.0
99.92522	1.9
107.96732	1.0
111.88615	0.9
115.92074	5.0
123.04479	2.1
159.87994	1.3
165.09224	6.5
165.12991	1.4
170.83492	1.2
172.47479	1.3
174.50662	1.1
187.25641	1.2
198.08827	1.1
305.21280	14.8
374.30597	27.0
392.31741	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	393.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.0
59.01387	14.8
59.16692	0.7
60.47314	0.7
71.01382	2.8
73.02974	1.0
84.02668	0.7
85.02956	3.0
89.02454	1.3
93.03419	3.1
95.01387	1.5
99.00860	0.9
99.04498	1.2
101.02440	1.7
119.03434	0.9
121.02951	18.1
122.03755	15.1
123.00881	17.0
123.04572	0.8
133.02968	1.1
135.63748	0.9
136.01682	0.9
137.02403	0.8
138.03229	5.9
139.03989	0.9
149.02435	23.5
150.03227	100.0
153.05602	7.7
164.04782	5.8
165.05573	89.7
166.77960	0.8
166.99847	15.8
180.04338	6.5
182.02216	36.7
182.03813	1.5
195.06647	33.9
197.04564	46.2
227.21274	0.7
271.71274	0.8
301.11014	0.8
309.53287	0.7
345.09879	4.9
393.11935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71260	0.8
53.08146	0.9
54.82780	1.0
55.01894	1.8
56.52635	0.8
57.03455	2.5
59.01389	79.7
61.03246	0.9
71.01386	21.8
73.02946	34.7
81.99172	1.1
83.01387	5.8
85.02947	6.1
87.00900	1.1
88.04021	1.0
88.98928	0.9
89.02437	6.4
90.25628	0.9
95.99993	1.0
97.04040	0.9
99.04520	1.4
99.08152	26.0
101.02440	25.9
113.02444	5.3
119.03510	1.2
127.07629	2.1
129.09212	4.0
132.03040	1.6
137.04626	1.1
138.40819	1.1
141.09210	1.9
145.08714	65.5
161.04533	1.5
187.09842	2.0
202.76405	1.1
205.63889	1.1
236.73508	1.1
307.14014	12.7
349.15100	100.0
376.88135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
55.79690	0.9
57.03457	100.0
59.01388	79.3
69.74496	0.9
71.01383	16.7
73.02949	7.0
75.00864	0.8
83.01388	5.0
85.02959	11.9
88.19675	1.1
89.02422	1.1
95.01397	1.4
96.37796	0.9
99.00870	3.7
99.04514	58.1
101.02437	38.4
113.02481	8.3
121.02923	1.6
122.03723	1.1
125.02434	16.4
140.42230	1.0
143.03383	1.1
149.02449	1.3
150.03244	16.5
159.03053	1.1
161.04539	7.5
165.05568	10.7
182.02211	5.2
182.16895	0.9
185.11902	1.6
195.06618	4.5
197.04562	6.4
249.13438	32.5
291.14496	2.2
302.86041	1.3
393.17844	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	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03456	100.0
59.01386	83.2
61.61951	0.6
70.45014	0.6
71.01382	16.2
71.23498	0.6
73.02949	9.6
81.03439	1.3
83.01388	5.9
85.02956	11.0
85.06545	0.8
87.00846	0.9
90.10014	0.7
99.00861	3.7
99.04515	49.4
101.02435	35.8
109.71614	0.6
113.02459	6.0
125.02430	17.9
125.37798	0.7
136.86417	0.7
143.03543	1.5
151.07573	2.6
159.02974	1.2
161.04520	4.8
195.06627	8.9
249.13449	29.9
291.14474	3.3
293.32703	0.9
307.17554	1.0
331.17551	1.7
393.17566	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	393.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02991	37.8
59.01388	3.7
61.98833	2.1
62.31477	0.5
67.26186	0.6
68.93097	0.5
70.02987	37.5
70.23206	0.5
71.02504	3.8
72.00935	0.7
86.02524	0.7
87.05640	3.4
87.86147	0.5
92.12453	0.6
95.02487	3.3
96.00913	36.8
96.99283	0.7
99.92585	3.4
111.02048	0.9
113.03574	20.4
114.01963	51.7
115.92060	3.0
116.92842	7.2
117.92973	0.5
131.04622	24.9
156.12567	0.6
208.32726	0.6
213.43515	0.6
224.12305	0.5
225.51067	0.5
237.85062	0.6
278.24915	11.8
296.99197	0.6
297.24454	2.3
303.41254	0.5
304.26492	6.4
310.08151	0.5
331.27557	1.3
332.25720	0.8
333.34332	0.6
349.28564	2.7
355.74805	0.6
363.67584	0.6
375.26572	59.7
393.13803	2.4
393.27634	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	393.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75243	29.9
59.01383	88.8
61.98824	41.6
64.66759	37.7
84.00898	100.0
91.45234	40.9
103.30241	45.1
111.16248	34.8
138.30815	40.2
160.98010	47.7
238.96323	50.6
362.22433	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82443	53.9
59.01379	100.0
63.09450	56.3
64.10046	55.0
64.80428	45.4
65.01402	45.0
67.56908	45.9
68.92712	61.7
205.46259	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03597	0.6
54.29999	0.5
55.53922	0.6
56.10558	0.6
56.42278	0.5
58.02985	17.1
59.01379	3.0
61.98825	1.3
70.02958	1.4
71.01382	20.6
88.04034	97.1
96.84657	0.6
96.99315	4.9
101.82459	0.7
111.68973	0.6
114.01966	3.0
115.00371	23.2
115.92117	2.4
116.49971	0.6
116.92071	0.7
132.02989	6.0
154.45239	0.7
184.71832	0.6
271.67072	0.7
278.24951	10.2
279.23282	29.6
322.23868	0.7
332.26059	3.3
350.27023	18.5
376.24930	1.2
394.26022	100.0
395.26297	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	394.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82915	11.4
59.01377	19.9
60.51719	10.1
61.98830	100.0
63.14911	13.2
63.31850	9.9
69.46515	14.1
81.96203	11.6
83.04722	11.2
124.02076	12.0
150.58684	11.5
197.71603	12.6
199.75671	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	394.3331
Annotation	Semiplenamide E
Peak:m/z	Relative Intensity
59.01376	0.6
61.98841	5.7
64.34787	0.4
66.81913	0.4
70.77695	0.3
84.60738	0.3
94.74837	0.3
95.80836	0.3
116.92853	2.0
124.96340	0.4
128.10817	0.8
130.08731	100.0
204.01653	0.4
254.93237	0.4
350.34381	2.3
367.77856	0.4
394.33304	53.3
395.33658	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	7.9
57.03202	1.6
57.03466	39.1
57.74464	0.7
59.01161	1.2
59.01400	20.0
68.99794	1.0
69.80825	0.9
71.01376	6.2
72.99321	10.1
73.02944	2.2
75.00869	1.9
77.07240	1.0
83.01395	8.2
85.02958	100.0
87.00885	1.3
87.97953	0.9
99.00898	1.0
99.04520	71.6
101.02448	1.9
109.59519	0.9
111.00880	20.2
111.04522	1.3
121.02958	27.6
129.01942	55.4
129.04890	0.9
131.04948	1.4
133.06599	4.0
133.24069	1.0
135.04549	4.2
136.99573	0.9
143.04948	0.9
161.06044	3.8
167.07118	6.1
173.00893	13.2
189.05653	7.9
189.76395	1.0
229.07176	4.9
251.05634	12.6
273.06259	7.2
295.04767	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19395	0.5
53.51891	0.5
55.01888	4.9
57.03458	35.4
59.01381	4.1
66.53520	0.5
67.21869	0.5
71.01379	6.7
72.99306	10.0
73.02933	2.0
75.00870	3.6
83.01389	8.2
84.02182	1.1
85.02950	100.0
87.00884	1.3
89.56081	0.5
99.04515	42.1
101.02425	1.1
109.06596	1.1
111.00150	1.1
111.00883	20.6
113.06090	0.7
121.02948	25.4
123.03385	0.5
129.01939	52.6
131.05046	0.8
133.02946	0.7
133.06602	5.4
135.04510	3.6
139.07620	0.6
143.05057	0.7
147.03006	0.7
161.06081	2.5
167.07155	4.4
173.00912	8.5
174.45316	0.5
174.52565	0.5
174.58043	0.5
189.05598	4.2
209.11887	3.2
229.07257	4.3
251.05637	15.7
273.06177	3.8
359.20755	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	395.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04571	1.1
55.01871	1.6
57.03455	100.0
59.01384	81.3
66.64082	1.2
70.31910	0.9
71.01379	27.0
73.02950	10.1
83.01386	8.8
85.02947	16.4
85.47086	1.0
87.00853	1.2
88.13461	1.1
89.02435	5.9
89.06082	1.3
95.01376	2.0
99.00864	4.5
99.04506	53.9
101.01768	1.5
101.02432	41.4
108.62569	1.0
113.02460	14.4
125.02433	26.3
143.03477	4.1
159.02965	1.8
161.04553	17.7
186.88240	1.1
202.05128	1.0
233.10240	2.1
251.11366	48.7
252.11606	1.5
293.12445	10.3
395.15561	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	395.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.3
56.64050	1.0
57.03461	100.0
59.01392	83.8
59.59832	0.8
71.01391	25.8
72.99332	1.0
73.02938	8.8
80.44850	0.9
83.00223	1.0
83.01399	7.1
85.02963	14.2
87.00877	1.0
89.02448	7.1
92.65457	0.9
95.01392	1.7
98.97206	1.0
99.00887	1.5
99.04526	53.5
101.02444	38.4
109.62873	1.1
113.02466	10.7
119.03432	1.0
125.02432	21.3
143.03442	1.7
159.02974	1.6
161.04559	17.2
251.11368	48.5
255.51732	1.1
293.12515	13.0
329.62833	1.2
333.15579	1.8
337.03241	1.3
395.15781	10.5
403.16272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.7
57.03454	100.0
59.01385	80.7
60.47208	0.9
69.04020	0.9
71.01381	26.6
73.02937	11.4
83.01374	6.3
85.02946	13.9
89.02434	6.7
95.01395	1.4
96.62057	1.2
99.00874	2.2
99.04506	54.2
101.02428	42.0
113.02426	11.7
125.02448	20.5
143.03485	2.2
159.03026	2.4
161.04584	16.1
189.40044	1.2
202.77336	1.4
230.60184	1.1
233.10210	1.3
238.61525	1.1
251.11357	51.1
293.12402	12.0
304.85046	1.3
392.92493	1.2
395.15588	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.223
Annotation	Kazinol F
Peak:m/z	Relative Intensity
54.83157	0.5
55.60817	0.4
57.03465	3.1
59.01401	0.5
60.01838	0.4
61.98839	2.1
70.87641	0.5
74.64557	0.4
87.00887	0.5
100.93344	1.0
115.92072	22.6
149.09717	20.3
163.11288	100.0
164.11565	0.8
179.10788	0.9
219.10284	45.5
219.13843	2.7
231.10286	1.9
264.10025	2.6
337.21576	0.7
395.22171	83.3
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	395.2595
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
56.85013	0.5
57.03458	30.4
58.45360	0.4
59.01385	0.8
61.98824	1.3
68.18481	0.4
72.02160	0.5
77.08822	0.5
83.11268	0.5
86.20395	0.5
91.00071	0.6
163.11292	100.0
164.11487	0.7
219.13927	28.0
297.24503	1.0
303.84390	0.6
337.21857	3.1
395.25943	72.1
396.26431	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	396.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
60.62180	27.9
61.98830	34.2
62.80893	20.8
70.98126	20.8
75.97852	21.4
77.10938	22.1
86.80059	21.7
92.65771	24.0
98.36577	26.0
102.80259	21.1
122.91270	25.9
134.94043	24.6
151.95245	23.8
154.18910	24.5
172.23517	21.6
183.75500	26.7
186.78500	22.7
189.57567	26.6
191.38051	25.0
351.13934	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41605	18.0
52.80150	14.7
54.39489	13.2
59.01397	24.9
61.88685	15.8
61.98837	21.4
62.24639	15.7
77.76440	20.8
83.57119	18.5
91.81644	17.2
100.81282	14.7
117.18889	17.6
127.00626	19.4
199.63089	18.6
299.25955	100.0
300.26230	75.7
366.39401	21.0
380.30548	21.2
400.78696	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	397.0932
Annotation	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2',3':7,8]flavanone
Peak:m/z	Relative Intensity
57.03454	1.7
59.01379	2.7
60.99323	1.7
61.98837	0.4
63.40214	0.4
65.69882	0.3
67.77016	0.3
70.32080	0.3
71.01387	0.8
71.05021	0.5
73.02956	0.4
81.03442	0.5
81.39978	0.3
83.05035	3.2
84.60336	0.4
85.02945	1.8
87.04524	3.6
88.98806	8.3
89.02435	0.4
91.01920	1.6
95.05022	2.0
101.06073	1.5
106.06646	0.5
108.08205	1.9
109.08495	0.6
112.08434	0.4
116.49255	0.4
123.08127	0.5
127.11263	0.7
132.02174	9.8
135.00949	3.0
135.01839	0.4
148.29922	0.4
152.07143	0.8
153.01947	2.5
153.07532	0.7
153.09264	0.4
155.10782	0.4
167.04964	0.4
171.10239	8.9
180.05894	0.5
183.13849	0.6
193.05093	1.3
195.04558	6.7
197.06296	0.5
201.11325	5.9
203.82242	0.4
208.05342	5.7
209.11876	1.6
211.13380	2.3
223.04021	21.5
224.04785	5.3
229.14420	3.9
231.72823	0.5
237.14970	2.8
238.58844	0.4
239.03519	0.6
251.03514	14.0
252.04297	100.0
253.05031	14.7
255.16219	0.6
273.17087	4.4
278.28430	0.5
281.04575	0.6
295.05978	2.7
343.21472	0.8
359.12015	0.9
359.21240	0.7
361.22351	50.1
397.09311	71.7
398.09592	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	397.227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82433	0.3
57.89295	0.4
59.01389	2.4
61.98845	0.6
66.39012	0.3
79.95732	12.4
80.96523	0.7
85.75563	0.4
88.27868	0.3
91.57836	0.4
94.98082	1.9
95.95202	3.3
96.96004	92.4
99.92558	1.6
108.34931	0.4
115.92087	1.9
116.92848	3.4
121.67142	0.5
122.97578	5.1
162.81552	0.4
164.56293	0.4
167.00229	0.4
337.21896	0.7
366.22055	0.4
397.22681	100.0
398.23145	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.8
61.98826	1.0
74.60397	0.8
75.35426	0.6
101.89850	0.8
119.32413	0.7
164.66339	0.8
165.12833	1.1
217.00267	0.9
261.22235	4.0
265.14828	1.1
305.21259	100.0
306.21472	2.8
323.22336	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	398.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	100.0
61.98843	22.2
75.00857	0.7
82.95413	1.0
84.60387	0.7
88.65356	0.8
102.05555	0.7
113.09714	0.8
157.12292	1.0
158.12762	1.0
238.18158	1.4
316.11710	0.8
320.25882	1.7
338.27005	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	398.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11180	17.8
59.01382	56.9
61.98832	28.1
71.97275	21.4
116.92845	100.0
232.38585	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93595	0.3
53.67052	0.3
55.29247	0.3
59.01392	1.6
61.98842	100.0
73.58940	0.3
82.17426	0.3
92.12344	0.5
95.55931	0.3
98.08176	0.3
101.73595	0.4
102.48257	0.4
151.56229	0.3
156.71782	0.4
189.05946	0.3
258.99722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27547	0.2
59.01385	3.1
77.50074	0.2
92.00278	0.2
97.18980	0.2
106.04234	0.9
107.05023	0.3
145.77586	0.2
163.11292	23.5
175.11282	0.4
176.12032	0.3
177.09282	0.3
177.12814	3.5
181.44629	0.2
190.10051	0.3
207.10315	0.3
208.11038	3.5
218.72740	0.2
254.04138	0.2
267.13834	0.3
281.15414	1.7
282.16208	3.8
283.17062	4.7
301.21735	1.3
319.28589	0.2
339.23315	100.0
340.23651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42216	4.8
59.01389	88.7
79.08057	5.4
84.60102	7.0
92.11735	17.7
99.92542	9.1
115.92050	9.9
116.92870	30.3
140.10826	6.5
163.11316	34.8
173.51308	6.3
177.84590	6.1
193.08217	5.9
339.23340	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	399.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62115	55.0
58.23847	59.2
77.43996	56.2
116.92851	100.0
356.22882	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89777	0.5
57.03455	6.3
58.00270	0.5
59.01365	0.6
61.98834	2.4
71.05000	2.5
72.99320	0.6
81.75969	0.5
84.02171	0.8
85.02946	5.0
90.02756	0.5
122.00021	0.7
136.53128	0.6
148.86897	0.6
151.65982	0.6
181.21738	0.7
245.05017	0.6
267.02496	0.7
283.26334	1.0
293.28531	1.5
295.30106	19.2
300.26413	0.6
323.33261	11.6
333.31534	2.4
335.33209	5.2
351.32809	1.5
353.34250	14.9
399.34827	100.0
400.35092	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	400.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06117	0.9
59.01382	4.4
61.98818	2.6
69.46974	1.0
97.93096	1.6
99.92577	100.0
100.92554	1.4
115.92070	38.3
116.31302	1.1
116.92081	9.1
116.92850	20.8
118.89970	88.6
132.67400	1.1
134.89488	13.1
135.90231	33.1
137.86334	1.0
142.94402	8.5
150.88933	1.8
170.05487	1.2
170.81905	1.2
181.67175	1.1
190.92036	1.0
255.23355	2.6
281.24893	2.0
364.17096	18.5
400.14789	96.9
401.15295	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	400.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	58.0
75.00820	23.5
81.60515	30.9
89.02412	68.0
130.14816	27.4
141.07738	28.7
145.42464	33.5
250.27516	24.3
293.29016	29.0
341.10974	100.0
364.38666	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99547	14.8
59.01383	87.6
71.01373	34.0
77.64834	16.7
89.02428	100.0
101.02415	20.9
105.38390	17.2
113.02390	17.1
179.05614	31.5
198.05031	28.9
223.85281	19.0
255.23415	31.4
258.76538	22.4
259.68100	19.6
267.52112	18.8
319.15701	20.8
341.10913	82.2
345.04089	23.0
367.83093	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	401.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58185	0.5
55.01876	0.9
58.00600	1.6
59.01383	87.8
64.18498	0.7
70.77612	0.7
71.01379	46.7
72.01729	0.7
72.99310	1.5
73.02954	1.6
83.01387	1.6
84.62227	0.7
85.02942	8.0
87.00893	3.0
89.02435	73.4
89.90259	0.7
95.01353	1.7
101.02431	24.1
113.02442	20.4
119.03483	21.2
131.03476	3.0
143.03497	3.5
149.04568	1.4
158.61378	0.7
161.04582	4.7
179.05611	20.8
202.68510	0.8
214.45052	0.7
341.10904	100.0
342.11404	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04762	0.6
52.78955	0.6
53.96964	0.7
58.00598	1.5
59.01385	86.3
71.01379	50.8
71.01690	0.8
72.99300	1.5
73.44352	0.8
83.01403	1.3
85.02936	7.8
87.00851	1.5
89.02437	74.1
90.38659	0.8
91.83056	0.7
92.11727	0.8
95.01383	4.6
101.02435	24.8
113.01673	0.8
113.02436	24.0
119.03484	23.6
131.03500	3.3
140.21548	0.7
143.03487	1.6
149.04581	1.0
159.36438	0.8
161.04582	5.4
179.05609	25.8
296.57736	1.1
323.35483	0.8
341.10910	100.0
342.11185	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	401.3273
Annotation	Di-tert-dodecyl disulfide
Peak:m/z	Relative Intensity
50.81249	0.8
54.97040	0.7
59.01394	9.4
71.01373	3.7
72.98992	0.9
72.99323	17.6
73.02953	7.8
75.00877	73.0
76.08015	0.9
89.02425	6.1
91.25230	0.9
99.92607	7.3
100.92608	3.4
101.02445	2.3
116.92850	1.7
118.89935	3.9
119.03483	3.5
119.90050	1.1
120.89639	2.3
121.02865	1.5
137.89948	1.4
159.03128	0.8
177.25447	1.0
212.70753	0.9
277.98981	1.0
281.24777	1.9
341.11005	7.7
348.78763	1.1
373.90378	1.2
401.15176	9.1
401.32736	100.0
402.14819	1.5
402.33136	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	402.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41131	0.1
56.09451	0.2
59.01391	0.9
59.61489	0.1
61.92524	0.2
61.98837	100.0
75.58947	0.2
81.01276	0.1
89.02441	0.2
91.33945	0.2
102.59249	0.1
109.57026	0.2
131.40239	0.2
136.78313	0.2
163.11282	8.7
231.14708	0.2
314.38678	0.2
339.23312	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	402.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95753	0.3
58.78336	0.3
59.01386	3.5
60.01735	0.4
61.98838	2.7
64.38931	0.3
69.01564	0.3
71.01395	0.6
78.95901	100.0
85.28532	0.3
89.02438	1.6
90.00648	0.4
92.78587	0.3
96.96954	18.1
101.02473	0.5
111.05231	0.4
122.05307	0.4
155.60716	0.4
205.03200	0.4
212.17207	0.4
265.06729	0.4
342.11252	1.5
399.11392	0.4
402.24152	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	403.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	7.0
57.03457	31.5
59.01109	1.0
59.01387	14.6
61.98823	4.9
67.01883	1.2
71.01385	9.1
72.99311	1.5
73.02934	1.4
76.06413	0.8
77.92223	0.6
83.01392	9.4
84.02168	1.6
85.02952	100.0
89.00323	0.8
89.02442	2.0
90.89676	0.8
92.98151	0.9
96.96014	5.3
99.04574	0.9
99.76202	0.7
101.02449	4.5
106.00591	1.9
108.02168	8.8
111.00880	23.6
113.06081	7.4
121.02953	37.2
123.00867	3.7
123.04525	1.8
127.00364	0.9
129.01935	34.9
138.03191	1.7
147.02948	1.0
152.01140	16.1
153.05582	22.9
157.05072	4.9
161.04514	1.6
161.09647	1.2
166.99889	1.6
167.03502	18.7
182.02232	8.7
197.04564	33.2
205.03546	16.3
208.38707	0.8
223.04568	18.1
343.11566	1.8
383.55820	0.9
403.16373	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	403.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
58.52963	0.3
59.01390	4.0
63.02414	4.0
65.00339	11.1
70.08999	0.3
81.03459	0.4
83.01392	9.7
83.26420	0.3
85.02979	0.4
85.12854	0.3
92.65900	0.4
93.03453	5.5
100.44878	0.3
107.01391	19.3
119.05020	40.2
119.38120	0.5
121.02888	0.6
125.02452	2.9
127.88938	0.4
133.02937	0.4
137.02399	0.4
143.05045	1.9
145.02966	3.4
151.00377	70.0
161.06108	1.7
165.01913	6.3
169.01407	3.4
170.82222	0.4
176.39877	0.3
177.01941	6.7
185.06073	3.6
187.04077	3.6
197.11815	0.6
223.09602	0.4
227.07167	3.5
241.10875	1.7
269.04599	0.7
271.06143	100.0
283.04611	4.2
283.11996	0.4
403.10431	14.3
403.15924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45471	0.5
55.01871	2.7
55.14859	0.5
57.03442	2.9
58.92686	0.5
59.01388	73.0
59.36249	0.5
59.86215	0.5
61.01790	0.6
61.71785	0.5
61.98828	0.9
62.20332	0.5
62.40531	0.5
71.01382	17.4
73.02946	4.6
83.01378	4.4
85.02955	12.4
87.00865	2.4
89.02454	6.3
95.01390	1.1
96.96012	6.7
97.02883	0.7
101.02442	9.2
102.00092	0.5
107.05048	1.1
109.06593	2.6
113.02437	6.0
119.03524	1.3
121.02959	0.7
121.06599	4.4
131.03574	2.3
133.43788	0.6
145.06601	5.4
151.05176	0.9
155.97226	0.6
157.73302	0.5
161.04572	2.5
161.09778	2.2
163.07671	4.8
173.00900	0.6
176.45714	0.5
179.10757	2.6
183.61623	0.6
221.06621	0.9
221.61453	0.6
311.02713	0.7
353.96588	0.7
403.16147	100.0
404.16388	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	403.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03442	3.2
59.01384	62.6
61.20786	0.5
61.68018	0.6
62.06554	0.5
71.01382	13.8
72.99290	1.0
73.02931	3.3
83.01362	3.2
85.02944	11.5
87.00851	0.9
89.02438	5.8
92.64956	0.6
95.01369	0.7
96.96000	3.1
99.00835	1.5
101.02430	9.6
107.05044	0.8
109.06599	1.2
111.00876	0.9
113.02438	5.2
117.38268	0.6
119.03500	1.2
121.02947	1.2
121.06574	3.3
129.01979	0.9
131.03497	1.5
145.06609	4.1
147.48856	0.6
161.04521	2.9
161.09718	1.1
163.07686	4.0
168.11176	0.7
178.02715	0.7
179.10846	1.0
193.95747	0.6
246.42566	0.6
266.02979	0.7
403.16119	100.0
404.16412	0.7
404.95270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99920	0.6
54.30406	0.5
55.01865	0.7
57.03445	3.6
58.00596	0.8
59.01387	100.0
61.24147	0.5
70.94672	0.6
71.01382	6.0
71.05046	0.6
73.02929	1.2
76.57787	0.6
84.08000	0.6
85.02943	2.8
86.52834	0.7
87.00853	5.8
88.04006	0.6
89.02451	1.4
95.05080	0.6
96.96004	1.6
97.02935	1.6
99.04491	1.2
101.02429	5.0
103.47302	0.7
109.06615	0.9
113.02482	0.8
119.08669	1.3
121.06542	1.6
133.10257	2.8
135.08168	3.0
135.11790	1.2
137.09712	7.6
151.44441	0.6
159.11829	3.1
161.09767	6.2
163.07669	3.4
179.10753	8.1
179.59718	0.6
181.08711	15.5
197.11841	43.6
205.08739	1.1
221.11815	1.3
223.09756	9.2
241.10831	57.4
283.11859	20.4
313.12982	7.2
343.14032	36.2
383.93616	0.7
403.16183	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	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54357	8.3
59.01391	25.8
60.07592	10.1
61.98845	100.0
63.51198	9.5
77.94328	10.3
85.02776	9.8
89.02420	22.0
89.54550	10.8
125.62305	10.6
153.75031	10.2
156.17026	10.0
160.52112	10.2
201.47301	10.4
230.43573	10.1
257.37625	10.6
268.41809	11.6
418.57901	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	73.4
61.98835	100.0
74.42016	6.6
83.39060	6.4
95.01820	6.6
241.76035	6.9
370.88068	6.2
392.94818	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	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.0
61.98845	100.0
62.21111	3.4
70.96749	3.1
71.01376	3.3
128.96341	3.7
129.55319	3.0
159.10255	4.2
247.95503	3.5
343.11560	4.2
408.22375	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	403.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87007	6.3
59.01369	40.4
61.31828	6.5
61.98840	100.0
70.75075	7.2
92.10335	6.9
97.38538	7.2
138.26590	7.8
240.35863	7.0
257.37991	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	403.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98844	100.0
66.29398	68.9
70.06138	62.1
80.41209	70.6
101.49220	78.2
168.34914	71.0
177.91930	79.6
186.12888	71.2
203.99643	71.7
204.09547	78.3
281.83597	71.3
338.48553	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	403.307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07075	0.3
59.01387	100.0
60.01706	0.4
61.98831	1.7
64.34613	0.4
70.55481	0.3
71.59314	0.3
92.65642	0.3
111.58598	0.3
155.12227	0.4
162.65782	0.4
247.99631	0.4
344.70584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71808	0.2
53.62888	0.2
53.83618	0.2
54.82497	0.2
55.47973	0.2
59.01388	4.3
59.11957	0.2
61.01801	0.2
61.81275	0.2
61.98837	100.0
71.01385	1.6
83.01395	0.8
89.02450	1.8
90.02766	0.4
97.04034	0.2
101.02444	0.3
113.02464	0.3
119.03590	0.3
132.91472	0.2
157.29533	0.2
159.03015	1.1
179.05684	0.4
198.97047	0.3
236.55235	0.2
277.25793	0.2
343.11435	1.0
344.11594	1.3
377.47153	0.2
403.16223	0.4
404.16638	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	404.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51988	0.1
59.01118	0.4
59.01397	10.2
60.01733	1.8
61.01810	1.2
61.98846	100.0
62.11382	0.2
71.01390	5.5
72.01720	1.3
73.01771	0.3
82.74800	0.2
85.02927	0.5
89.02447	6.5
90.02757	1.1
91.02858	1.5
94.87511	0.2
101.02466	1.8
102.02779	0.3
113.02450	1.7
114.02766	1.0
115.02938	0.3
119.03477	1.4
120.03825	0.5
136.12199	0.2
154.55922	0.2
161.04547	0.2
179.05637	1.2
180.05937	0.4
181.06096	0.9
203.52719	0.2
262.13483	0.3
274.97000	0.2
341.10886	0.4
342.11145	1.7
343.11487	5.9
344.11743	5.1
386.77576	0.3
394.55896	0.3
404.16376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22301	0.7
57.03458	3.3
58.02997	1.0
59.01395	6.3
59.86394	0.7
64.34271	0.8
66.03492	1.5
68.01438	5.6
70.03019	0.8
71.01384	0.9
72.00926	10.9
72.83501	0.7
73.07840	0.8
82.03000	5.9
82.52406	0.8
84.04553	5.0
89.36683	0.9
91.05524	4.3
92.05064	1.1
94.02973	1.5
96.00912	56.7
96.96056	0.8
99.04546	1.9
99.05647	7.0
100.04060	0.8
101.02460	1.7
105.04099	0.8
108.04528	3.1
110.06117	8.3
111.00852	1.1
118.06631	4.1
120.04551	1.9
122.02464	3.5
128.03520	1.2
129.01926	0.9
136.04044	8.5
138.05594	3.7
147.04521	44.8
164.03549	5.9
164.07176	100.0
165.04247	1.5
165.07562	1.7
181.06248	1.2
190.05211	1.5
196.06226	1.7
208.02582	1.7
215.11879	6.7
229.09869	0.8
240.05217	3.5
241.49295	0.8
244.03387	0.8
247.10863	26.7
256.20529	0.8
257.13007	1.4
273.12448	1.0
275.10434	4.1
285.12491	1.5
329.11447	19.2
355.09265	1.3
361.14163	5.6
373.10617	2.0
387.11981	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	405.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62308	0.3
52.08553	0.3
57.03439	0.4
59.01397	0.5
61.98821	1.9
63.31989	0.3
71.01384	2.4
71.01704	0.3
71.05019	8.1
84.93596	0.3
85.02885	0.3
87.04509	3.9
88.75082	0.3
91.46157	0.4
92.12378	0.4
94.95753	0.3
96.77693	0.3
99.04514	24.2
101.02460	0.6
101.10329	0.3
107.93356	0.3
110.02558	0.4
111.01991	2.1
115.04004	10.7
115.07617	3.1
117.05572	13.3
118.36597	0.3
126.48238	0.4
129.01959	4.1
143.03522	0.5
161.04637	4.3
161.08195	100.0
162.08551	0.7
173.74358	0.4
190.22079	0.3
218.50366	0.3
345.29596	0.3
346.58762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.7
57.03462	7.9
58.18655	0.5
59.01392	100.0
60.01722	0.6
60.55238	0.5
60.99304	0.6
61.01802	0.7
61.98831	3.3
67.05516	0.8
69.03459	0.5
71.01386	8.9
73.02940	2.4
83.01375	0.7
83.05036	1.2
85.02941	1.4
87.00851	3.7
89.02430	5.6
95.51251	0.6
96.95975	1.1
97.06586	0.7
99.04490	2.5
101.02440	7.8
113.02441	1.0
115.00343	0.5
116.07186	2.2
119.03461	1.0
119.08647	4.8
121.06549	0.5
133.10236	2.0
135.08134	1.3
135.11760	2.5
137.09714	17.9
153.09203	1.1
153.12859	0.7
161.09656	4.0
163.06134	0.7
163.07629	2.4
179.10800	7.1
181.07164	15.5
181.08714	24.4
197.11835	44.9
198.12169	0.8
223.09785	8.0
241.10822	31.3
242.11195	2.8
260.85153	0.6
344.14450	1.1
345.14801	1.2
387.16815	1.0
405.17685	93.1
414.46786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73342	1.3
54.82772	1.5
55.01894	1.3
57.03456	100.0
57.92159	1.1
58.37484	1.0
58.59612	1.2
59.01385	80.1
59.22395	1.2
61.98822	4.9
66.47906	1.1
71.01376	19.8
71.56809	1.1
72.99350	1.7
73.02939	9.9
75.81743	1.1
83.01381	5.8
85.02947	11.1
87.00883	1.9
89.02433	5.6
92.12302	2.3
96.00887	1.6
99.00877	2.9
99.04506	54.9
101.02438	34.5
113.02429	9.4
125.02455	16.9
143.03535	2.3
161.04530	8.1
164.07135	2.6
198.44537	1.5
214.55084	1.6
232.19748	1.2
232.22330	1.4
261.13464	32.5
303.14517	4.8
305.30145	1.3
351.58389	1.3
367.21375	1.7
369.21918	1.5
405.17609	11.2
405.24536	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36900	1.2
54.15328	1.3
54.54272	1.3
59.01116	2.6
59.01389	50.4
61.98818	8.3
62.21691	1.3
63.46882	1.3
70.25374	1.4
79.21671	1.6
80.05392	1.7
80.91685	2.0
81.65614	1.6
89.34239	1.7
92.11790	1.9
92.52377	1.5
99.11605	1.7
109.02953	25.7
114.09677	1.5
133.27158	1.4
165.09233	12.3
168.86247	1.6
204.55693	1.9
261.22162	2.3
273.11096	33.5
274.11816	6.8
305.21249	64.3
306.10760	1.9
323.22290	9.5
327.19315	12.4
345.20535	100.0
350.91974	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33376	8.6
54.19229	8.6
55.86237	9.0
58.78421	9.9
59.01396	91.5
61.98830	100.0
62.67812	10.7
66.43327	9.3
80.30950	9.9
92.65679	16.4
99.21455	11.2
102.70119	12.2
108.17926	10.6
120.22032	11.5
271.78827	10.9
355.46036	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	405.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88414	15.1
59.01389	84.0
61.98829	89.6
73.88614	14.9
77.08187	14.1
78.18271	13.3
87.00860	17.1
88.98781	88.1
89.02435	100.0
92.65478	18.0
115.74545	15.5
154.52669	15.7
191.00031	15.3
220.12901	15.9
315.25473	28.8
429.37161	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	406.1659
Annotation	MK-2206
Peak:m/z	Relative Intensity
55.73921	0.8
58.02976	1.5
58.96335	0.8
59.01389	13.7
59.03076	0.7
61.98843	6.8
71.01389	12.9
74.02466	3.5
77.85515	0.8
82.02982	7.9
85.04074	62.9
86.02451	1.6
87.05635	14.1
88.04031	9.0
89.02440	1.3
92.12376	1.6
96.95979	3.3
101.02457	1.4
101.07210	1.2
109.04047	5.4
111.02002	4.5
113.03551	3.7
117.03820	1.3
119.05353	25.4
121.04105	1.1
127.05135	6.9
128.03534	100.0
135.05626	9.8
141.58243	0.8
150.06679	1.0
152.08286	10.6
153.06699	5.7
157.06181	60.0
157.07501	1.9
159.07771	1.4
163.03992	1.0
165.40381	0.9
178.06238	12.6
179.04619	10.1
184.04941	6.6
196.07309	21.9
214.08319	1.9
224.10484	1.3
242.11380	1.2
262.34631	0.9
268.09415	10.6
277.12375	1.1
277.71481	0.9
285.35468	0.9
286.10483	22.5
334.14334	1.3
388.15536	7.2
406.16599	97.8
407.16827	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	406.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	23.0
59.97843	3.4
61.98550	4.2
61.98843	100.0
87.02031	3.2
92.12399	4.0
96.95963	3.6
161.65984	3.4
162.13823	3.5
175.47380	3.5
253.04877	5.0
332.79779	4.2
337.36420	4.3
370.19781	17.0
382.95508	4.1
406.23517	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	406.26
Annotation	Blacknidine
Peak:m/z	Relative Intensity
54.91367	1.4
58.02985	4.5
59.01392	10.3
61.98839	7.6
74.02454	1.5
78.95946	1.5
80.96522	6.7
82.95431	5.0
84.04574	8.1
86.04817	1.3
90.40141	1.2
100.07694	6.7
102.05609	100.0
116.92919	1.1
128.03537	87.6
146.04631	12.1
152.99608	1.7
171.10179	1.4
179.11331	1.3
183.01282	2.7
232.53358	1.1
255.23271	1.5
262.28976	1.2
277.21713	53.2
325.18521	10.3
362.27130	12.4
377.70013	1.5
388.24997	11.0
395.19382	1.2
406.26157	91.0
407.26593	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	407.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97277	0.2
56.13219	0.2
59.01384	1.4
61.98832	0.4
66.28873	0.2
71.01379	0.3
71.05018	0.2
72.00904	1.1
78.95891	0.4
79.95733	1.2
82.02994	0.2
82.95427	0.4
85.02923	0.3
86.26535	0.2
88.04037	0.4
96.96003	100.0
97.95970	0.2
101.02432	0.2
101.07157	0.2
101.92486	0.2
109.04060	0.4
111.00889	0.4
113.92671	0.2
116.92911	0.2
119.05035	1.0
121.95100	0.2
127.05153	2.3
128.03532	10.5
141.01823	0.3
143.97168	0.2
147.04500	1.5
148.04936	0.3
163.03998	1.0
164.07207	2.8
165.07532	1.2
167.04663	1.6
180.06665	5.7
185.05707	0.2
206.69174	0.2
218.10327	0.3
247.10925	0.3
266.99704	0.2
291.09845	1.8
309.10950	6.3
388.15253	0.2
407.07574	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02960	0.2
58.63493	0.1
62.55534	0.2
64.34372	0.2
70.61071	0.2
72.00909	0.3
74.02463	0.4
75.67162	0.2
76.33969	0.1
78.95901	0.8
79.95729	1.2
81.86019	0.2
84.04530	0.3
87.46171	0.2
92.65380	0.2
93.03456	0.4
96.96003	100.0
101.07214	0.2
109.04099	0.4
119.05006	1.7
123.05646	0.3
127.05136	3.2
128.03531	14.5
141.06706	0.8
159.65732	0.2
163.03984	1.7
167.04578	2.1
180.06671	8.2
185.05695	0.3
247.10968	0.3
287.10526	0.2
291.09753	2.2
309.10962	8.9
310.11047	0.2
347.06500	0.9
365.06949	0.2
378.56607	0.2
407.07892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26650	0.3
68.11105	0.3
72.00532	0.6
72.00912	11.7
74.02080	0.6
74.02480	17.6
75.25754	0.4
93.78638	0.4
109.31297	0.4
116.05057	52.8
116.79597	0.4
122.96370	0.4
130.06610	1.6
132.08160	0.4
135.29898	0.4
142.06613	16.1
159.09265	9.8
186.05585	2.3
203.08279	100.0
204.08717	1.4
238.27063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2573
Annotation	CHEBI:78141
Peak:m/z	Relative Intensity
57.31066	4.6
57.66816	5.2
59.01373	7.7
59.09843	4.9
61.98822	23.9
70.57092	5.1
78.95895	100.0
89.02409	6.9
105.86048	5.9
339.72119	6.5
369.27716	10.6
381.68362	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	408.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56155	0.3
54.82856	0.4
57.03454	0.3
59.01382	1.1
61.98837	100.0
62.28773	0.2
73.02961	1.3
85.02956	1.4
90.11168	0.2
109.83574	0.3
111.00892	0.3
121.02995	0.4
131.57356	0.3
239.16501	0.4
327.21866	0.5
345.22855	8.4
355.23260	0.3
380.56573	0.3
411.70551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2759
Annotation	Malyngamide W
Peak:m/z	Relative Intensity
58.02978	2.7
59.01392	3.4
61.98826	1.6
74.02474	2.4
78.95911	4.6
82.02980	1.7
84.04549	6.2
85.02937	0.5
100.04041	1.6
100.07681	6.6
102.05605	99.2
112.07674	0.5
127.53974	0.3
128.03534	91.5
130.08707	0.7
130.62096	0.4
137.76921	0.4
146.04594	10.9
152.99565	3.0
172.66960	0.4
184.94707	0.3
219.44954	0.4
260.98630	0.4
261.22290	0.6
278.24744	0.6
279.23312	62.6
280.23566	0.9
318.24539	0.5
318.28003	2.3
320.29626	1.4
346.27524	1.6
349.91541	0.4
356.42181	0.5
364.28635	13.3
390.26553	10.1
408.27594	100.0
409.27951	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	409.0105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12607	0.8
57.03445	1.4
59.01374	4.0
59.68074	0.7
61.98817	0.9
71.01380	4.6
72.00897	1.8
82.02958	1.2
85.02966	1.0
87.92532	39.6
96.96008	21.9
98.02452	1.3
98.95573	12.7
98.96426	2.2
99.04552	1.4
99.92599	9.6
103.92023	100.0
104.92799	32.2
105.93590	15.0
106.94403	6.9
111.00898	1.0
113.08324	0.9
115.00341	1.8
115.92056	9.8
116.92870	4.6
120.38996	0.9
123.94633	53.5
128.03549	4.4
128.07990	1.0
130.08751	1.0
130.94360	1.4
139.98039	1.3
145.96719	64.0
147.04501	3.8
147.94691	3.8
155.95204	1.0
155.98866	0.9
160.04083	1.2
161.96213	36.0
163.97783	13.2
164.07159	11.3
165.95808	1.4
171.94748	1.5
173.96266	3.3
180.06664	1.3
187.10902	1.3
189.95744	9.4
199.94159	47.7
218.10249	0.9
275.02530	2.0
329.02457	7.4
365.02002	1.7
373.10458	1.4
409.00821	1.0
420.78183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82818	0.4
55.01882	0.4
57.03461	3.3
59.01392	5.3
68.08612	0.3
71.01387	0.7
71.05021	0.5
71.42691	0.4
76.28490	0.3
79.58784	0.3
81.03451	5.4
83.01387	2.0
84.02149	1.3
85.02953	16.5
88.98800	1.8
89.03973	3.4
99.04507	6.1
106.04225	0.3
111.00880	1.9
116.95309	0.3
117.03462	9.9
127.04006	13.5
129.01941	4.5
133.02979	0.5
133.47589	0.3
134.03735	100.0
135.04082	0.4
137.02455	2.9
139.03992	1.3
149.06094	8.7
160.01614	0.5
167.03499	0.6
171.03017	2.5
175.03944	0.4
178.02731	7.8
186.42456	0.4
193.05067	63.8
194.05444	0.5
256.71912	0.3
261.07700	0.3
265.81985	0.4
354.03769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06129	0.8
54.82787	0.9
55.01881	1.8
56.81314	0.8
57.03458	100.0
57.85163	0.8
59.01388	89.6
59.02510	1.0
71.01386	33.4
72.45180	0.9
73.02940	15.1
75.00873	1.6
77.96442	1.0
81.03497	1.3
83.01383	7.1
85.02945	22.3
87.00895	1.1
89.02454	8.8
95.01389	3.9
99.00888	5.3
99.04511	55.9
99.05152	2.1
101.02440	46.1
113.02448	13.3
125.02438	29.8
143.03493	1.9
145.07715	32.7
157.49663	1.0
159.02957	1.7
160.87289	0.9
161.02484	1.4
161.04593	13.1
192.14999	1.0
201.08749	0.9
238.53114	0.9
246.89293	1.0
247.11900	1.6
265.12961	45.7
266.13321	2.0
307.14026	13.4
323.12451	1.7
347.17270	2.4
389.73154	0.9
391.12149	1.0
406.40109	1.0
409.16977	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	409.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03458	100.0
59.01387	88.9
71.01376	17.3
73.02940	7.1
81.03458	1.2
83.01398	6.3
85.02955	11.3
88.29530	0.8
89.02438	3.9
92.11740	1.9
95.01379	1.2
99.00886	3.7
99.04514	57.4
101.02441	35.2
111.00932	1.0
113.02451	10.2
125.02425	22.2
129.75507	0.8
143.03508	2.0
145.07715	4.7
159.02994	3.0
161.04529	11.1
184.74120	0.9
203.12645	0.8
220.54253	0.9
222.02594	0.8
265.10089	0.9
265.12924	26.0
266.12915	1.0
307.13861	7.0
409.17142	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	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
59.01387	100.0
61.98819	1.0
64.11604	0.7
70.88670	0.7
71.01377	2.5
71.07218	0.6
73.02931	0.6
78.95877	1.4
83.01380	0.8
85.02938	3.7
89.02428	1.3
96.95999	1.3
99.04511	2.5
101.02428	2.4
108.02180	1.0
111.00870	2.8
121.02935	2.9
134.03677	0.8
152.01184	0.8
161.57100	0.7
189.05475	0.7
307.17752	5.6
349.18671	1.4
431.93329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2365
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
59.62158	0.2
65.73424	0.2
78.95903	78.6
92.12395	0.5
96.96953	6.7
150.98053	2.1
151.61743	0.3
152.99597	100.0
170.93283	0.2
171.00647	2.1
213.18448	0.2
255.23338	2.8
409.23660	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	409.2751
Annotation	Nigrolineaquinone A
Peak:m/z	Relative Intensity
51.77304	0.5
78.95880	3.7
82.95415	0.8
138.64516	0.6
152.99652	3.9
155.13420	0.6
162.10487	1.1
163.11298	100.0
164.11621	2.4
176.08432	1.0
187.85057	0.5
190.10014	13.6
194.09502	1.3
215.30998	0.6
233.15483	63.6
234.15894	0.6
245.15454	7.8
276.07968	0.5
327.29092	2.2
409.27524	75.1
410.27780	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	410.2915
Annotation	(9Z,12Z)-3-hydroxyhexadecadienoylcarnitine
Peak:m/z	Relative Intensity
58.02981	1.6
59.01386	7.4
60.50502	1.3
61.98824	2.4
75.24091	2.0
77.26517	1.3
77.63053	1.4
78.95876	1.8
83.40065	1.4
84.04530	7.2
86.01366	1.4
88.87688	1.4
90.76004	1.6
93.18388	1.4
100.07643	3.6
102.05599	97.2
128.03525	90.9
141.64912	1.5
146.04582	13.7
152.99573	3.0
194.94820	1.6
228.78682	1.4
239.75203	1.4
281.24881	60.9
322.31232	7.4
348.29303	3.3
366.30197	15.0
392.28220	8.6
410.23730	3.2
410.29193	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	411.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58217	0.4
57.03453	1.1
59.01387	6.8
61.98842	0.4
63.46601	0.4
64.63696	0.4
66.03041	0.4
71.01371	5.4
72.99297	3.1
73.02946	2.7
79.95743	1.0
80.86981	0.4
83.01374	1.0
85.02950	8.1
89.02451	0.7
90.97137	0.7
96.96004	100.0
100.00420	0.6
101.02441	1.8
113.02367	0.4
115.00333	0.6
118.96626	2.7
119.05066	0.6
121.02922	3.8
132.98198	0.5
140.98813	0.8
147.03015	0.8
156.98227	0.5
163.08261	0.4
182.99791	0.8
191.01950	1.9
194.99815	0.6
222.99203	3.3
237.00885	0.8
245.01253	1.9
261.00937	0.5
263.02402	0.5
279.01941	0.8
313.05893	1.7
351.00317	1.8
351.16736	0.5
393.01492	0.9
437.89392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09105	0.5
54.82585	0.6
55.01871	3.2
57.03200	1.3
57.03456	28.0
59.01386	7.2
60.57141	0.7
71.01375	3.6
72.99306	1.6
73.02931	1.3
83.01386	6.1
84.02152	1.3
84.99702	0.6
85.02946	100.0
87.00843	1.2
89.02431	0.7
93.03448	15.9
93.87848	0.7
96.95996	0.9
99.04510	25.2
101.02441	2.8
101.89543	0.6
111.00862	11.1
119.05007	0.9
121.02908	1.1
129.01932	35.1
133.89035	0.7
134.32262	0.7
136.35909	0.6
137.02435	14.9
147.03033	7.0
154.76857	0.8
167.07097	1.5
173.00890	4.3
177.05551	1.0
185.57092	0.7
191.02017	8.6
205.05081	1.4
228.49754	0.6
229.07181	1.7
267.04977	1.0
273.06085	2.7
273.61197	0.7
291.07275	16.4
325.15051	0.8
328.56073	0.7
359.79672	0.7
410.18558	1.5
411.19043	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.0
57.03224	1.9
57.03455	29.1
59.01387	7.8
60.79264	1.5
61.12896	1.6
61.98832	4.5
71.01379	2.9
72.99310	3.2
75.00851	3.3
83.01393	8.8
85.02946	100.0
87.00848	2.4
89.73817	1.8
111.00877	19.8
115.07652	48.6
121.02941	26.8
129.01918	39.0
133.06514	2.2
161.06076	2.2
162.24196	1.8
173.00893	7.6
189.05573	3.2
216.22333	2.2
232.90387	1.8
245.10223	3.1
251.05690	9.2
289.09213	3.9
391.95285	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	411.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44403	0.7
55.01879	0.9
57.03443	1.1
57.90779	0.8
59.01384	100.0
63.48293	1.0
69.03497	1.1
71.01384	17.2
73.02942	11.6
73.85250	1.1
78.03629	1.0
81.03445	1.0
83.01389	2.0
85.02947	5.4
89.02439	13.1
92.12437	4.5
101.02424	14.8
113.02434	6.3
115.07752	1.0
119.03504	4.6
143.03471	1.1
149.04552	1.3
161.04573	4.3
175.43649	0.9
204.18950	1.1
207.52487	0.9
289.16574	1.5
417.48633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43830	0.9
55.01889	1.6
57.03465	2.2
58.11685	1.0
59.01394	100.0
61.28556	0.9
65.40173	1.1
71.01395	13.8
73.02928	6.0
83.01411	2.1
85.02964	17.2
90.95135	1.0
96.95985	1.9
101.02448	10.2
111.00901	1.0
113.02395	4.0
121.02943	2.4
124.65778	1.2
129.01961	1.7
161.04501	1.9
231.36531	1.2
289.16602	12.7
331.17758	1.7
375.27423	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39885	0.6
55.01874	1.2
57.03456	0.9
58.00578	0.8
59.01386	52.3
60.01724	1.1
61.98833	7.1
62.40012	0.7
65.04391	0.7
71.01381	28.5
73.02964	7.6
78.47392	0.7
82.95414	12.9
83.01376	3.6
85.02943	10.8
87.00842	5.9
88.04043	1.1
89.02437	19.1
93.43703	0.9
95.01397	1.4
101.02438	23.0
106.96159	1.0
107.36781	0.7
108.02161	0.9
113.02451	14.9
119.03500	7.0
135.82458	0.9
137.02472	1.0
137.52051	0.9
143.09032	1.4
161.04536	4.0
161.10037	10.1
231.10693	1.0
249.27435	0.8
289.16519	1.9
318.64249	0.9
323.15329	7.3
395.84543	0.9
401.03375	0.8
411.16977	100.0
412.17352	5.4
427.91498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80689	0.4
55.01892	1.1
57.03465	0.8
59.01392	100.0
60.01742	0.7
65.68337	0.4
67.48685	0.6
71.01392	20.2
71.01764	1.0
72.99318	0.9
73.02955	20.7
83.01379	4.1
85.02960	5.4
87.00889	0.9
89.02450	9.5
91.27740	0.5
92.12410	0.8
95.01403	2.3
96.66857	0.5
101.02437	17.2
101.03068	0.8
103.12588	0.5
113.02446	9.9
119.03544	2.8
128.45190	0.5
130.87996	0.6
131.03535	0.6
137.09697	9.7
143.03571	0.7
143.85852	0.6
161.04599	2.7
161.10088	2.1
185.84508	0.6
189.12933	0.7
235.69298	0.5
279.66406	0.6
323.15448	0.9
366.54944	0.6
411.11496	0.9
411.16962	19.9
411.22061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16423	0.1
55.96582	0.1
59.01389	100.0
65.95430	0.1
78.95918	0.2
87.00873	0.1
87.04949	0.1
92.11797	0.2
117.75043	0.1
154.31779	0.1
157.17857	0.1
220.53313	0.1
279.23447	0.4
297.24432	0.1
394.88831	0.1
411.33939	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	411.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01162	0.2
59.01389	2.7
61.98813	0.2
62.80184	0.2
62.87982	0.2
71.01373	1.3
72.53471	0.2
73.02945	3.1
82.36419	0.2
103.04007	0.4
116.92848	1.3
119.51081	0.2
131.03474	2.5
142.74127	0.2
177.63507	0.2
239.90364	0.2
279.23312	100.0
280.23639	1.4
351.58725	0.2
352.35077	0.2
411.27353	1.2
435.44586	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47840	0.5
57.03437	0.4
57.98803	0.4
59.01380	6.8
61.98820	0.7
69.03442	1.3
85.34294	0.5
102.05588	3.0
107.57320	0.6
116.92844	0.9
128.03514	0.9
131.18452	0.6
203.50517	0.5
240.42734	0.7
279.23300	100.0
390.27826	0.5
411.29419	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	412.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89832	0.1
53.21296	0.1
57.03476	0.1
58.00613	0.1
59.01388	3.8
61.98840	100.0
71.01379	1.8
72.99301	0.2
85.02958	0.9
87.00906	0.2
89.02450	2.1
101.02427	1.5
101.95287	0.1
113.02476	0.8
119.03528	0.8
120.19012	0.1
127.57365	0.1
134.29416	0.1
141.12865	3.2
145.80956	0.1
168.53145	0.1
169.12407	0.7
187.13385	6.9
200.41426	0.1
349.18707	15.8
412.21149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64545	1.0
53.07386	0.9
53.88295	0.9
55.01892	1.2
57.03454	4.9
59.01396	33.1
66.44141	0.9
68.99852	1.6
69.03461	1.7
71.01037	1.8
71.01394	31.3
72.99316	5.5
73.02976	1.5
75.00878	18.9
76.71106	0.9
81.03448	1.3
84.11445	1.0
85.02957	28.1
85.03418	2.1
87.00874	11.5
89.02454	7.1
92.11713	2.0
93.03454	2.2
95.01406	6.5
99.00884	15.3
111.00903	1.0
113.02464	36.6
114.90154	1.1
115.00351	1.4
117.01949	4.3
117.03466	4.2
119.05023	68.5
129.01970	1.6
145.02972	21.8
151.04010	6.3
161.02441	21.0
163.04016	51.4
169.15842	1.2
175.02545	1.8
176.04785	9.7
179.03516	27.9
191.07127	2.2
194.05824	25.5
207.05173	1.5
209.08202	32.1
237.07764	2.6
249.06157	27.3
251.19395	1.1
267.07239	100.0
273.17990	1.2
335.95236	1.2
384.52972	1.1
389.31201	1.2
394.93405	1.1
413.10861	42.2
431.84708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64545	1.0
53.07386	0.9
53.88295	0.9
55.01892	1.2
57.03454	4.9
59.01396	33.1
66.44141	0.9
68.99852	1.6
69.03461	1.7
71.01037	1.8
71.01394	31.3
72.99316	5.5
73.02976	1.5
75.00878	18.9
76.71106	0.9
81.03448	1.3
84.11445	1.0
85.02957	28.1
85.03418	2.1
87.00874	11.5
89.02454	7.1
92.11713	2.0
93.03454	2.2
95.01406	6.5
99.00884	15.3
111.00903	1.0
113.02464	36.6
114.90154	1.1
115.00351	1.4
117.01949	4.3
117.03466	4.2
119.05023	68.5
129.01970	1.6
145.02972	21.8
151.04010	6.3
161.02441	21.0
163.04016	51.4
169.15842	1.2
175.02545	1.8
176.04785	9.7
179.03516	27.9
191.07127	2.2
194.05824	25.5
207.05173	1.5
209.08202	32.1
237.07764	2.6
249.06157	27.3
251.19395	1.1
267.07239	100.0
273.17990	1.2
335.95236	1.2
384.52972	1.1
389.31201	1.2
394.93405	1.1
413.10861	42.2
431.84708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.2
57.03458	100.0
59.01389	88.4
63.03190	0.7
71.01383	12.4
71.58701	0.8
71.69003	0.8
73.02947	6.3
73.86139	0.8
76.01955	0.8
76.74282	0.8
81.03447	1.3
83.01387	3.6
85.02940	9.3
85.73968	0.8
87.91727	0.8
99.00870	1.0
99.04517	67.7
99.43795	0.8
101.02437	23.0
113.02425	4.9
125.02435	31.7
125.77702	0.8
126.39452	0.8
134.03770	1.5
143.03485	1.7
161.04556	6.3
269.10291	9.8
274.14899	1.0
281.03589	1.0
303.11737	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73377	0.8
54.82760	0.8
55.01871	3.8
56.84681	0.8
57.03455	100.0
59.01386	70.0
63.06706	0.6
63.90250	0.6
64.28552	0.8
71.01380	18.0
73.02943	9.7
81.03437	1.7
83.01368	6.4
83.82613	0.7
85.02945	16.6
89.02418	1.2
95.01408	1.0
99.00873	3.1
99.04509	61.4
100.89510	0.8
101.01778	1.0
101.02441	31.4
113.02430	11.3
113.09830	0.8
121.02937	9.9
125.02429	20.1
129.01926	1.1
143.03520	1.0
153.05545	5.6
159.03015	1.0
161.04532	10.1
177.40068	0.7
182.02217	2.9
197.04567	8.6
208.56493	0.9
246.84523	0.9
269.10300	21.2
311.11481	1.9
413.14560	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	413.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42901	0.3
53.84135	0.4
55.01885	0.4
55.11360	0.4
57.03455	2.0
59.01389	100.0
67.01892	0.4
71.01387	4.6
71.01741	0.5
73.02979	1.1
81.03473	0.5
82.98273	0.4
83.01425	0.8
85.02961	2.8
88.98842	0.4
89.00369	0.6
89.02455	2.2
96.95995	0.6
100.27953	0.5
101.02464	2.1
111.00935	0.5
113.02453	1.1
121.02956	5.7
125.02455	1.0
138.03239	0.5
145.45609	0.4
149.99577	0.6
153.05573	3.7
168.00673	0.8
174.13689	0.5
182.02277	0.8
197.04546	5.8
201.11462	0.5
377.21960	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	413.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46382	0.3
52.57099	0.3
57.84511	0.3
59.01387	2.6
61.98837	100.0
62.69486	0.3
72.52426	0.3
75.16116	0.3
75.92322	0.3
154.90668	0.4
220.49362	0.4
296.79218	0.4
323.85455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	0.5
59.01390	12.9
61.98838	100.0
77.80694	0.2
88.04031	0.4
122.83566	0.3
214.58470	0.3
251.20129	0.3
350.27432	0.5
351.32660	2.6
413.54785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99791	0.4
54.83045	0.5
59.01388	100.0
84.61179	0.4
101.73166	0.5
128.66451	0.4
159.07756	0.5
180.74849	0.4
231.20149	0.5
374.81409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
64.34235	0.5
66.09654	0.4
69.83461	0.3
103.86153	0.4
107.18251	0.5
255.42560	0.5
318.52612	0.5
433.26660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
59.01385	4.2
60.34921	0.4
61.98832	0.9
71.01399	5.2
73.02916	0.6
78.24749	0.5
82.25754	0.5
83.35419	0.5
83.95869	0.5
89.02448	0.5
89.53285	0.5
92.11754	1.2
96.96011	3.3
99.00877	100.0
99.64993	0.5
100.01233	0.6
102.05583	2.0
108.04568	7.1
109.94106	0.5
111.00913	0.5
116.92855	0.9
118.05083	0.6
120.04578	1.0
122.06116	4.7
125.02462	0.5
128.03513	1.0
133.59492	0.6
136.04076	4.6
138.04617	0.8
138.05623	15.2
146.04608	1.1
147.01233	41.5
147.06645	5.8
152.77232	0.6
166.05113	25.3
171.26228	0.5
174.09949	0.6
178.04941	0.5
183.92795	0.5
195.09357	0.6
250.29892	0.6
355.12350	0.8
375.18176	0.6
386.63477	0.5
414.11041	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
71.01376	29.7
76.57869	13.7
119.65105	18.8
164.17436	19.1
177.70641	18.2
193.55058	16.0
240.17241	17.9
245.71509	18.3
355.12418	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78893	0.1
55.56861	0.1
57.03453	1.1
59.01383	0.9
63.33908	0.1
65.00330	0.7
69.22528	0.1
71.01391	0.2
80.25216	0.2
81.03461	5.0
83.01394	3.6
95.01389	0.2
95.05025	0.9
99.04530	0.2
101.26520	0.1
107.01412	0.5
108.02190	0.2
121.02932	0.2
123.04517	42.4
124.04858	0.3
125.01550	0.3
125.02436	7.1
131.06847	0.1
136.77696	0.2
139.03931	0.2
149.02441	1.3
151.00389	2.1
158.31870	0.2
163.04047	0.3
167.03494	100.0
168.03850	1.7
191.03508	0.7
192.03900	0.2
209.04504	1.1
234.12552	0.2
371.09854	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.2
59.01387	2.1
61.96803	0.2
62.63891	0.2
62.92183	0.2
64.82214	0.2
65.00329	0.5
71.01388	1.0
74.06933	0.2
81.03468	5.2
83.01405	3.8
84.68700	0.2
85.02960	0.5
89.02454	0.4
89.41721	0.2
91.01929	0.2
93.03435	0.5
95.01460	0.2
95.05032	1.2
97.02964	0.5
97.15752	0.2
99.04542	0.3
101.02424	0.2
107.01354	0.3
109.02964	0.3
121.02985	0.4
123.04520	50.7
125.02436	5.6
132.02145	0.2
133.02980	0.2
135.04514	0.4
137.02428	1.5
137.19458	0.2
138.03055	0.2
139.04007	0.8
141.63379	0.2
149.02463	1.3
151.00383	1.6
151.04045	1.4
163.03995	1.5
165.02005	0.3
166.02785	0.3
167.03500	100.0
168.03824	0.9
175.00349	1.4
179.03522	1.0
180.04311	0.4
181.05087	2.8
191.03525	18.5
192.91814	0.2
193.05106	0.3
209.04590	7.4
221.04597	2.7
223.04082	0.4
224.04718	0.4
252.04277	1.7
253.05093	8.9
353.08505	0.3
355.12784	0.3
371.09851	9.5
415.10101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82188	0.3
55.33462	0.3
57.03450	0.6
59.01388	5.1
67.63503	0.4
71.01363	0.9
74.37141	0.4
77.41727	0.4
89.02416	0.8
91.01871	1.6
99.04500	0.5
101.02441	0.7
108.02193	0.5
123.04509	0.9
125.02433	0.6
132.02165	9.7
135.00891	2.9
153.01930	2.5
167.03523	2.8
167.04962	0.5
170.93297	0.4
173.15453	0.5
181.01459	0.5
195.04503	7.1
196.03749	0.8
208.05305	5.1
211.06149	1.0
223.04034	21.5
224.04851	6.3
251.03516	14.3
252.04291	100.0
253.05075	29.2
283.27374	0.4
295.06186	0.7
355.12701	1.0
374.30515	0.4
379.19794	0.7
415.10385	73.3
416.10828	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1037
Annotation	Daidzin
Peak:m/z	Relative Intensity
51.93192	0.2
59.01155	0.2
59.01391	3.2
71.01392	0.3
85.02935	0.4
91.01878	0.5
95.01382	1.0
97.02937	0.4
108.02159	0.4
123.04550	0.3
125.02407	0.3
132.02159	8.6
135.00830	2.2
151.04024	2.2
153.01930	1.5
153.05583	2.4
167.05035	0.5
180.05777	0.4
181.05070	33.2
195.04510	5.3
196.05542	1.2
196.07410	23.4
208.05307	4.1
209.05995	0.6
211.09776	23.5
223.01794	0.6
223.04021	19.2
224.04787	5.6
225.05411	0.4
251.03511	13.0
252.04300	100.0
253.05072	20.1
254.05437	0.3
295.06198	0.6
355.12570	0.5
381.23297	0.3
415.10400	81.1
416.10870	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1038
Annotation	Eupalestin
Peak:m/z	Relative Intensity
53.93591	0.4
57.03445	3.3
59.01121	0.8
59.01389	16.6
60.01666	0.6
61.79774	0.5
63.02399	4.8
63.29322	0.5
65.00317	6.3
67.48491	0.5
71.01370	3.5
71.80521	0.7
73.87511	0.5
80.02662	1.3
83.01380	7.8
85.02948	0.7
89.02406	0.7
93.03438	6.3
99.04520	4.0
101.02408	2.2
107.01391	19.7
108.01461	0.9
108.02172	15.3
111.00858	1.1
119.03648	0.6
119.05016	22.1
123.00935	1.1
125.02431	2.8
130.08720	0.7
136.01665	16.9
143.03593	0.6
151.00375	47.8
164.01155	34.5
165.01968	3.1
169.01442	2.4
177.01918	9.2
179.10780	5.1
180.11124	1.2
196.00148	12.2
209.40923	0.6
227.07127	1.0
229.05028	2.4
270.05447	4.6
271.06152	63.1
279.05148	0.7
351.18179	1.4
352.18338	0.9
355.12286	1.0
407.91388	0.6
415.10403	100.0
416.10550	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	415.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82188	0.3
55.33462	0.3
57.03450	0.6
59.01388	5.1
67.63503	0.4
71.01363	0.9
74.37141	0.4
77.41727	0.4
89.02416	0.8
91.01871	1.6
99.04500	0.5
101.02441	0.7
108.02193	0.5
123.04509	0.9
125.02433	0.6
132.02165	9.7
135.00891	2.9
153.01930	2.5
167.03523	2.8
167.04962	0.5
170.93297	0.4
173.15453	0.5
181.01459	0.5
195.04503	7.1
196.03749	0.8
208.05305	5.1
211.06149	1.0
223.04034	21.5
224.04851	6.3
251.03516	14.3
252.04291	100.0
253.05075	29.2
283.27374	0.4
295.06186	0.7
355.12701	1.0
374.30515	0.4
379.19794	0.7
415.10385	73.3
416.10828	0.9
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
55.01892	4.8
57.03457	5.6
59.01384	20.3
60.17571	0.4
69.03436	0.7
71.01389	3.4
72.99318	1.0
73.02943	0.9
73.40012	0.4
75.00865	0.5
75.51548	0.5
76.19736	0.5
79.79311	0.4
81.03458	7.1
82.30472	0.4
83.00924	0.7
83.01385	13.5
83.05019	2.6
84.02161	4.2
85.02946	28.4
85.63907	0.4
89.02421	0.7
93.03451	0.8
97.02936	0.5
99.04510	100.0
101.02436	0.8
109.02952	3.4
109.06594	7.7
111.00880	22.7
111.04527	2.8
111.08158	1.0
121.06594	3.5
123.04549	0.8
123.08114	0.5
125.02437	0.5
127.04006	16.8
129.01955	5.3
137.06091	0.5
139.07629	8.1
147.02979	0.5
149.06073	1.1
166.12054	0.5
167.07130	12.8
167.08418	0.7
171.01723	0.4
171.02962	3.4
190.07196	0.7
211.06151	1.7
215.02097	1.0
229.07162	3.4
269.04388	0.7
271.08115	1.5
311.11407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.03443	0.8
57.06648	0.6
58.00570	1.0
59.01387	70.9
69.03459	4.4
71.01382	36.9
73.02946	6.9
83.01388	4.6
85.02942	15.9
87.00868	14.3
88.60584	0.6
89.02438	41.2
91.28894	0.7
95.01393	6.0
97.02940	5.1
99.00869	4.2
101.02438	31.4
113.02441	13.6
115.03998	0.8
117.47176	0.7
119.03490	9.0
123.00902	0.8
124.01637	1.1
125.02444	7.5
127.04019	1.0
131.03426	0.9
139.04010	1.0
141.01952	1.8
142.02704	1.3
143.03503	4.3
149.04515	1.1
155.03455	0.9
157.05057	3.3
161.04561	17.0
175.06003	1.0
179.05614	15.4
193.07149	13.7
226.98981	1.0
355.12494	100.0
356.12521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00702	0.5
54.90297	0.5
55.01876	3.0
57.03440	2.7
58.00588	1.1
59.01388	77.6
69.03461	2.8
71.01384	43.7
72.99311	10.2
73.02939	6.8
73.38058	0.5
81.03452	1.2
83.01383	3.8
85.02946	14.0
87.00877	14.9
89.02441	53.6
95.01379	6.5
97.02971	5.1
99.00863	3.8
101.02441	31.7
108.27998	0.6
113.02446	16.5
115.04026	0.8
119.03493	12.2
122.03718	1.0
123.00870	0.9
123.04626	0.8
124.01633	1.4
125.02446	8.5
127.04014	1.0
129.68367	0.6
131.03491	2.7
141.01930	0.7
142.02730	3.2
143.03508	4.6
149.04565	1.1
157.05051	2.7
161.04568	12.8
179.05605	17.5
193.07138	9.9
341.11099	2.7
355.12494	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	415.1976
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.83391	0.2
55.01886	2.2
55.02259	0.2
55.75003	0.2
57.03455	1.2
58.00603	1.4
59.01385	100.0
63.04761	0.2
64.40447	0.2
69.03446	2.2
71.01381	44.8
72.99311	2.2
73.02945	66.0
75.00860	0.4
81.03436	0.6
83.01383	16.9
85.02946	6.5
87.00889	1.4
87.56606	0.3
88.01096	0.2
89.02439	13.6
95.01364	1.9
97.02934	1.2
97.10165	0.2
99.00885	1.4
101.02435	48.9
103.99595	0.3
113.02446	11.4
117.01922	0.2
117.52148	0.2
119.03515	3.5
123.17995	0.3
125.02448	1.6
131.03487	2.6
143.03520	3.0
149.04524	2.5
155.03510	0.5
161.04562	6.8
179.05678	0.5
193.12352	6.8
203.05635	0.4
211.13435	1.1
223.46053	0.3
355.12689	0.5
355.17700	1.8
373.18668	7.9
415.19775	25.0
416.20007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1981
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
53.31782	0.7
55.01887	5.3
57.03457	6.5
59.01389	100.0
61.98824	1.5
67.15333	0.8
71.01384	61.2
73.02954	23.6
78.08492	1.0
83.01382	7.7
84.02206	0.9
85.02953	36.0
86.01346	1.0
89.02444	23.5
95.01392	11.1
99.00900	1.7
101.02441	35.3
113.02458	49.9
119.03503	8.5
131.03519	2.2
143.03496	2.2
149.04568	1.2
161.04584	7.1
179.05730	1.1
193.12364	12.3
211.13412	4.0
271.15665	1.7
355.17676	50.8
356.18188	1.4
373.18768	12.5
415.19769	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	415.1976
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01875	1.6
57.03442	3.5
58.00578	1.0
59.01384	100.0
69.03446	1.7
71.01382	44.0
72.99282	1.1
73.02941	75.5
77.50208	0.8
82.58958	0.6
83.01380	18.3
83.05064	0.7
85.02950	8.5
87.00875	1.5
89.02435	17.2
95.01374	1.2
97.02948	1.8
97.98315	0.9
99.04464	1.8
101.02430	55.5
111.08096	1.0
113.02436	13.5
113.26368	0.8
115.04020	0.9
117.54223	0.7
119.03495	4.4
125.02487	1.1
127.03905	0.9
131.03505	1.9
132.18570	0.7
139.42825	0.7
143.03503	3.7
149.04541	1.9
153.20584	0.7
155.07101	1.2
157.30661	0.9
161.04559	8.3
161.42961	0.7
173.41927	0.9
175.68036	0.9
193.12344	8.6
211.13487	1.0
214.65933	0.9
248.70467	1.0
248.98329	0.8
271.15579	4.8
291.51416	0.9
320.39722	0.9
348.59149	0.7
355.17664	2.8
373.18677	8.7
415.19754	32.7
416.20154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40016	0.6
59.01390	5.5
61.48698	0.8
61.98796	0.7
67.63068	0.6
78.95885	4.6
89.07278	0.6
116.92873	0.8
119.48213	0.6
128.25452	0.7
152.99596	20.1
279.23300	100.0
280.23807	1.6
339.46072	0.7
355.12573	1.2
415.22528	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	415.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15567	0.2
54.11214	0.1
54.26414	0.1
59.01384	1.3
60.51810	0.2
68.99581	2.3
71.01389	0.2
74.89420	0.2
74.99097	5.4
77.00665	67.2
89.02441	0.3
104.58916	0.2
107.01402	0.2
107.63013	0.2
111.82433	0.2
112.98592	1.2
133.29489	0.2
142.71690	0.2
147.08142	2.0
149.09724	2.0
152.99602	0.5
160.08943	0.4
161.09773	1.1
163.11295	3.5
179.10925	0.2
187.11267	3.2
192.07996	0.4
208.11172	0.3
221.31459	0.2
265.12369	0.7
271.22958	0.2
279.13870	1.2
279.23318	3.6
280.14630	1.6
307.17059	1.0
309.22275	3.0
321.18646	0.3
322.19366	0.8
337.21786	100.0
338.22278	1.4
341.46347	0.2
355.12567	0.8
415.23178	14.9
429.72830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83852	0.3
59.01387	100.0
61.98815	0.3
67.06995	0.3
75.59856	0.3
82.37864	0.3
84.79802	0.4
86.45702	0.3
89.02406	0.5
107.70507	0.3
115.67412	0.3
128.46967	0.4
154.90063	0.4
180.27879	0.4
200.06448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
61.98831	1.3
71.01385	1.3
73.02943	3.7
87.00828	0.4
99.92573	0.4
103.04005	0.5
107.19525	0.4
116.92854	0.6
131.03499	2.7
219.57455	0.4
221.50267	0.3
281.24811	0.8
283.26450	100.0
284.26852	1.5
415.30713	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	415.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82913	0.3
57.54074	0.2
59.01389	100.0
63.77776	0.2
70.18882	0.3
101.62459	0.3
111.03484	0.2
175.13490	0.3
273.68076	0.3
375.42776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
67.54092	0.4
72.99306	17.0
73.02943	8.7
74.23145	0.4
75.00868	78.4
75.65038	0.4
79.09452	0.3
99.35069	0.4
144.74045	0.4
295.30170	0.7
323.33047	0.8
415.34348	100.0
416.34607	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	416.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75558	0.3
59.01395	60.0
59.07889	0.3
60.01729	10.9
61.01818	13.7
61.02111	0.7
61.98843	100.0
62.02152	0.4
73.89784	0.4
75.26149	0.4
79.36263	0.4
92.86409	0.3
116.92878	0.4
122.31304	0.4
134.80214	0.4
232.77820	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	6.2
57.03191	1.1
57.03461	25.0
59.01383	2.8
62.27707	0.7
62.52470	0.7
71.01379	4.9
72.99307	7.1
73.02953	1.2
75.00867	1.8
83.01375	7.0
84.02150	1.6
85.02951	100.0
87.00874	1.2
111.00877	11.9
111.66050	0.7
113.03622	0.8
121.02945	69.2
129.01932	21.2
131.05057	3.0
133.06633	7.5
135.04488	3.3
154.95609	0.7
159.04562	1.1
161.06114	5.7
171.94449	0.8
173.00922	6.5
189.05605	11.1
190.05798	0.8
233.04388	1.1
251.05569	12.5
295.04584	4.9
345.39822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	7.8
57.03454	20.2
59.01387	8.6
64.28460	0.7
71.01366	9.4
71.81968	0.6
72.99304	3.7
73.02943	5.6
75.00871	1.4
83.01385	11.1
84.02151	1.3
85.02945	100.0
86.03326	0.6
87.00872	1.1
91.01883	4.2
93.06682	0.6
101.02436	4.4
111.00871	17.6
113.02419	0.9
119.05019	25.0
121.02943	62.2
129.01932	22.1
131.05009	2.9
133.02966	0.9
133.06590	11.2
135.00853	6.0
135.04550	3.3
153.01942	4.2
159.04558	1.0
161.06064	8.5
173.00909	7.0
181.39986	0.7
189.05560	10.6
233.04533	0.7
251.05600	12.8
255.06595	15.0
295.04666	4.2
356.18005	0.7
416.20004	0.9
421.70786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	6.4
57.03456	24.5
59.01381	2.3
59.45326	0.3
66.70403	0.5
67.01878	0.6
68.99792	0.5
71.01378	6.3
72.99319	5.3
73.02930	0.6
73.92159	0.4
75.00867	2.5
83.01388	7.9
84.02162	1.8
85.02950	100.0
86.03298	0.6
87.00881	1.9
90.68544	0.4
99.04523	0.7
100.04881	0.5
101.02475	1.0
111.00880	15.6
113.60143	0.4
115.00375	0.5
115.05483	0.7
121.02949	65.5
129.01935	21.9
129.52112	0.4
131.05019	3.6
133.02928	0.9
133.06595	11.3
135.04530	3.7
158.41364	0.4
159.04535	2.1
159.09792	0.4
161.06070	7.1
173.00864	6.8
189.05573	10.5
233.04611	0.8
251.05630	14.9
295.04553	3.5
297.95651	0.6
371.61267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82720	0.5
57.03456	1.2
58.02977	1.2
58.79680	0.5
59.01389	8.0
62.36424	0.5
66.03481	0.7
68.01416	10.2
69.03458	0.7
70.02966	0.7
71.01384	2.3
71.58813	0.4
72.00916	12.4
73.02952	4.3
76.57507	0.5
80.05072	1.0
81.02200	1.0
82.02982	10.5
83.01353	0.6
84.04535	2.2
85.02936	6.1
86.04768	0.5
91.05524	2.4
92.05029	0.5
94.02970	2.5
96.00901	3.3
96.04555	1.1
96.96003	3.2
97.02937	6.5
97.04053	1.1
98.02473	8.8
99.04526	0.4
99.05652	4.6
107.03769	0.7
108.04551	8.2
110.02515	0.6
110.06125	0.7
111.04540	0.8
112.04054	2.7
115.04026	0.8
118.06605	5.7
120.04559	3.2
122.06120	2.8
123.04505	2.0
124.04019	7.0
125.02416	5.5
127.05135	1.0
134.02467	7.3
138.05618	0.7
140.03543	1.1
142.05101	10.4
142.11809	0.5
146.06042	0.7
147.04527	46.0
148.04066	2.8
148.54184	0.6
151.05148	0.6
162.05602	1.0
162.76683	0.6
164.07178	100.0
166.05121	3.5
167.03534	1.0
172.07658	0.7
179.25029	0.5
183.07788	0.8
190.05133	2.2
208.06204	3.6
209.05627	0.7
229.09816	0.5
247.10913	19.0
251.06696	0.8
252.05232	3.7
255.11440	2.4
269.13000	2.3
273.12573	4.6
275.10370	2.1
287.14087	0.9
297.07626	1.1
311.13855	0.7
327.08875	0.6
329.15063	3.2
331.12961	6.6
355.12805	0.6
373.14136	15.7
399.12033	3.4
417.13101	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	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19997	0.4
59.01385	100.0
59.94098	0.4
60.99329	0.6
61.98868	0.4
65.53517	0.5
72.99324	0.5
73.02933	0.5
83.01402	0.5
85.02956	2.9
88.98811	3.4
92.11745	0.5
108.46394	0.4
121.02974	3.7
129.01961	0.7
131.06592	0.5
184.48112	0.5
216.53777	0.5
251.05602	0.7
268.78500	0.5
277.76605	0.5
295.04489	0.6
312.76132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90147	0.3
59.01389	100.0
59.22056	0.3
62.74814	0.4
68.54926	0.4
162.69356	0.4
171.89301	0.4
196.02313	0.4
231.77831	0.4
254.70256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27423	0.2
59.01387	100.0
60.01734	0.5
62.81664	0.3
75.98679	0.3
79.07515	0.3
83.15175	0.3
109.67329	0.3
117.64355	0.3
177.30679	0.3
262.89844	0.3
300.25989	0.3
414.82724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05055	0.2
54.47115	0.3
58.60595	0.2
59.01389	2.9
60.59332	0.3
61.98834	7.7
67.01210	0.3
70.99597	0.5
73.01160	1.6
73.02916	0.3
74.99098	0.3
85.02943	2.5
85.04063	0.5
86.02464	3.3
89.00665	1.2
90.98585	100.0
92.60493	0.3
96.95454	0.4
96.95987	3.0
99.11236	0.3
105.03663	0.3
116.01777	0.3
117.00144	1.5
121.06577	0.3
128.03554	1.0
133.10258	0.3
137.09702	3.9
139.07693	0.5
145.02998	0.4
145.10309	0.4
151.05205	0.3
156.06688	0.5
157.06206	0.4
161.09709	0.3
164.59377	0.3
171.08179	0.5
178.01787	28.3
178.33745	0.3
187.11298	1.5
189.09332	1.1
195.04860	1.0
203.05556	0.5
205.12347	8.5
223.13403	16.1
223.15538	0.6
233.10013	2.0
251.11136	1.9
269.12183	8.6
287.13333	1.6
358.95959	0.4
418.15784	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	419.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80561	0.5
53.61749	0.5
53.99482	0.6
54.83477	0.5
55.01881	0.9
57.03455	100.0
59.01102	0.9
59.01384	17.3
61.98837	0.7
66.25648	0.5
71.01383	13.2
73.02951	4.4
73.69119	0.5
73.73737	0.5
75.00893	0.6
81.03429	1.1
82.70644	0.5
82.95370	0.9
83.01381	1.3
85.02948	9.9
87.00867	0.9
89.02471	0.8
92.11668	1.8
96.95992	1.4
97.02936	0.7
99.00827	1.1
99.03875	1.2
99.04514	31.1
101.02435	13.1
102.06862	0.5
103.86578	0.6
111.00877	2.6
113.02445	76.8
114.39652	0.5
125.02425	14.8
128.03529	0.6
128.13538	0.6
143.03471	0.8
145.58925	0.6
155.03455	0.9
161.04552	8.1
179.03362	0.8
201.75952	0.6
203.05722	0.8
203.07971	0.6
205.03384	0.6
243.08698	1.1
245.05295	0.6
257.06616	2.2
266.35727	0.6
275.07761	9.3
317.08737	5.6
331.78201	0.8
340.09247	0.8
357.11871	2.3
384.01721	0.7
419.11746	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	419.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71148	0.6
54.72302	0.7
59.01381	5.4
68.68385	0.8
69.94485	0.7
74.12531	0.6
76.57490	0.7
79.05515	4.3
91.05571	0.8
93.03453	11.0
95.01424	0.9
95.05038	1.4
99.65075	0.7
105.03453	7.5
107.05038	1.8
110.64874	0.8
112.88756	0.7
119.05007	1.7
121.06586	8.6
122.03679	1.1
123.04510	18.9
130.08727	3.2
131.09036	1.1
133.06567	1.4
135.04520	1.6
147.04541	3.8
149.02470	7.0
149.06067	1.7
150.03177	1.1
151.04024	17.4
157.55373	0.8
161.06071	1.1
163.04034	12.5
165.05568	76.3
167.03520	4.3
168.70691	0.9
175.04041	3.5
177.05565	21.2
187.04076	0.9
190.02783	1.0
191.03621	1.1
191.14595	0.8
193.05064	100.0
194.05551	0.9
205.05093	26.6
217.05164	1.5
217.12312	1.2
223.06128	19.0
235.06360	1.3
271.19254	1.5
275.16599	1.8
291.19669	1.0
299.09271	86.5
300.09689	1.9
311.09262	3.8
329.10327	25.3
335.18640	11.4
336.18985	1.1
337.20099	1.4
341.10330	1.3
363.18207	12.2
364.18130	0.9
365.18814	1.6
381.19244	42.0
382.19586	4.2
383.20035	5.3
396.36490	0.8
401.12479	1.4
405.50851	0.8
419.13342	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	419.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82224	0.5
55.01886	0.6
57.03231	0.5
57.03455	8.8
59.01387	49.9
59.98630	0.5
61.98821	2.7
66.48017	0.6
68.99797	0.7
69.03448	2.9
71.01384	29.4
72.99290	3.2
73.02929	0.6
75.00461	0.9
75.00873	26.3
83.01371	1.4
85.02947	9.1
87.00877	8.5
89.02434	1.4
90.43869	0.5
97.02940	4.0
99.00878	14.3
99.04488	2.2
101.02454	1.2
107.01373	0.6
111.00870	1.2
113.02410	0.7
114.38520	0.5
115.04018	0.6
116.05030	0.7
119.08647	1.0
125.02454	8.5
129.01935	24.8
131.03513	1.2
132.04530	2.2
135.04388	0.6
135.08159	0.6
137.09711	2.9
141.01923	1.1
149.93181	0.6
151.00368	1.3
153.09207	0.6
159.03000	1.2
161.09718	0.9
163.07620	1.0
165.01886	0.6
173.05949	0.7
177.04031	19.1
178.99902	1.1
179.10770	1.4
181.08719	5.2
195.05104	13.3
197.11856	13.0
223.09824	2.4
241.10820	7.0
259.06143	6.0
269.04492	4.1
283.11938	2.6
287.05594	2.7
295.52377	0.6
343.13629	1.0
383.13287	0.8
401.14490	6.4
413.65942	0.6
419.15631	100.0
420.16086	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	419.193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02724	0.3
58.00589	0.7
59.01390	31.3
71.01392	4.4
73.02958	3.3
74.21738	0.4
74.99103	0.4
75.77682	0.3
78.74881	0.3
82.58247	0.3
82.98981	0.3
83.01383	0.5
85.02947	0.6
88.51491	0.3
89.02438	3.5
92.11682	1.3
97.06610	0.7
99.60583	0.4
101.02444	2.4
109.02953	0.3
112.67371	0.3
113.02467	0.5
119.18182	0.3
123.04510	0.4
125.09743	1.4
126.24094	0.4
127.11269	2.9
131.03508	0.9
135.04460	0.6
143.10799	1.4
149.04585	0.8
151.03981	0.7
155.10808	1.6
157.12355	0.6
161.02464	0.6
162.03242	1.8
163.04007	0.8
171.10269	4.9
190.02731	1.9
191.05682	0.4
201.11348	2.7
215.12895	0.5
220.03761	0.9
220.66985	0.4
227.07056	0.5
235.17052	2.4
239.16574	0.7
251.16400	0.6
253.18146	5.6
269.17596	7.3
271.19177	100.0
272.19427	1.9
273.17157	2.1
299.09354	3.5
315.18179	5.5
329.10217	1.8
333.19232	0.8
359.20908	0.4
375.20422	4.2
419.17661	0.5
419.22983	10.0
434.72256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40973	57.9
59.01387	100.0
61.98824	95.6
92.12392	83.4
105.16366	67.8
204.12006	72.1
213.84702	68.1
240.89685	69.5
260.61307	69.1
399.45224	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12770	0.2
53.86086	0.2
54.47565	0.2
59.01387	20.9
60.01715	3.7
61.01811	4.5
61.98836	100.0
62.02131	0.2
62.79163	0.2
77.58287	0.2
211.87325	0.2
298.83359	0.3
309.90512	0.2
325.34348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03200	0.1
57.03468	4.2
59.01106	0.2
59.01395	6.5
70.08138	0.1
71.01400	1.6
73.02952	0.3
81.03455	0.3
82.84227	0.1
82.95422	0.2
83.01408	0.1
85.02953	0.8
85.98965	0.1
89.02443	0.9
93.03456	0.7
96.96000	0.6
99.04515	2.9
101.02427	1.6
106.04246	2.8
107.05051	1.1
108.02164	0.6
113.02435	1.2
119.03548	0.3
119.05019	3.6
125.02429	1.3
127.05228	0.1
128.03587	0.2
135.04527	0.4
137.06084	100.0
138.06407	0.3
158.38696	0.2
161.04593	0.2
190.06027	0.1
223.06081	0.2
250.90308	0.1
305.17456	0.1
341.12375	1.4
421.17297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.7
58.02972	1.2
59.01392	13.8
68.01431	6.6
68.76147	0.8
70.02970	1.9
71.01370	1.2
72.00922	6.9
73.02940	0.9
74.02477	7.0
81.02231	0.8
82.03001	6.7
83.05026	1.2
84.04558	4.7
89.02441	1.0
92.05049	4.0
93.03464	9.7
94.02980	3.7
96.00916	39.1
96.04562	1.1
96.95995	1.1
99.04533	3.1
99.05630	5.5
101.02429	4.8
106.04236	1.0
107.05029	0.8
108.04573	4.7
110.02466	3.2
110.06126	13.1
111.05599	1.0
119.05017	20.5
119.51411	0.8
120.04581	1.0
122.02486	3.5
125.02442	1.3
125.07156	1.5
127.05054	0.9
128.03505	1.4
134.06094	1.8
136.04056	10.3
136.07646	1.1
138.05614	4.1
145.42918	0.9
146.08304	1.0
150.05603	1.0
153.06630	2.3
162.05659	1.1
163.04010	26.1
163.05370	0.9
164.03523	6.8
164.07220	3.1
165.04250	1.5
166.05170	1.3
167.08250	6.1
168.78311	0.8
180.06671	100.0
188.07658	0.9
196.06157	3.4
199.10942	1.2
201.90071	0.9
206.04622	1.2
208.02579	1.3
219.11464	2.9
231.11394	3.7
239.06694	1.6
240.05092	2.0
240.69260	1.0
263.10385	25.0
273.12552	4.9
289.11719	1.0
291.09891	4.1
301.12073	4.5
345.10962	32.5
361.14835	0.8
371.08548	2.8
371.51871	0.9
377.13705	11.8
377.18076	1.6
389.10037	6.3
403.11636	4.0
409.54337	0.8
421.12503	1.7
421.17337	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	421.1559
Annotation	Losartan
Peak:m/z	Relative Intensity
52.88284	3.5
58.08690	3.8
59.01368	6.0
61.23528	4.6
61.98827	10.0
65.13543	4.3
107.11636	5.0
108.95058	4.6
113.47864	4.4
116.77930	4.5
121.02937	38.1
134.87624	5.2
212.83345	5.2
383.07852	10.3
421.15683	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	421.164
Annotation	Pomiferin
Peak:m/z	Relative Intensity
59.01392	5.1
72.15884	3.2
103.79827	3.4
143.58049	4.1
163.59921	3.5
289.60825	3.8
371.76340	3.6
421.16385	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	421.2088
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
55.00781	1.1
55.01887	12.3
57.03462	8.7
58.00591	2.6
59.01389	100.0
65.96317	1.2
69.03436	1.8
71.01383	98.8
72.60965	1.1
72.99298	4.6
73.02582	1.7
73.02942	26.5
75.46042	1.0
78.95819	1.0
83.01389	19.4
85.02948	41.7
86.51541	1.2
87.00862	6.7
89.02437	43.7
95.01369	5.7
97.02934	5.1
99.00870	9.4
101.02433	58.4
111.00865	9.0
113.02444	26.2
115.03972	4.7
125.02427	7.2
127.11259	2.4
131.03482	19.9
143.03487	6.8
149.04576	8.7
158.63539	1.4
159.03024	1.8
161.04562	18.3
191.05612	2.4
197.25775	1.0
233.06677	5.6
269.32465	1.1
289.13425	1.2
289.16574	31.6
293.08838	1.7
304.84097	1.1
323.49927	1.1
421.20844	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2272
Annotation	1,4-Bis(2-ethylhexyl) sulfosuccinate
Peak:m/z	Relative Intensity
59.01391	2.3
59.58632	0.3
61.98852	0.6
79.95754	0.7
80.56842	0.3
80.96526	100.0
86.97319	0.3
92.12421	1.1
99.08166	0.3
105.10635	0.3
129.15570	0.3
243.02737	0.3
264.96860	0.4
421.22714	27.7
422.23123	2.0
448.33063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98839	0.1
62.37538	0.1
80.55806	0.1
80.91665	0.6
92.11785	0.1
147.08128	0.1
163.11288	100.0
163.33336	0.1
164.11617	1.8
204.25871	0.1
218.07011	0.1
283.26398	0.3
296.50027	0.1
329.36542	0.1
339.23325	51.0
340.23672	1.9
361.21631	0.2
379.20905	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	421.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33288	47.0
61.47306	47.3
107.26982	51.5
117.03777	69.5
121.17304	56.9
145.61272	64.3
208.12190	59.3
213.79678	53.8
248.69760	57.2
339.19934	100.0
383.02661	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	422.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59756	0.4
57.94020	0.5
58.02982	2.1
59.01395	5.0
59.10308	0.4
61.98831	2.2
67.23206	0.5
70.03018	0.6
71.01381	1.3
72.00900	2.5
74.02470	0.5
77.74411	0.5
82.02988	9.3
84.04543	7.9
89.02444	0.7
91.05521	2.1
96.95972	0.9
99.05634	0.9
101.02413	0.6
101.07219	0.5
102.05617	6.4
109.04092	6.2
109.07685	1.1
112.04049	2.5
113.07188	1.3
118.06630	0.9
127.05135	24.5
128.03539	100.0
129.03873	0.7
146.04565	2.7
147.04536	15.0
151.08759	0.6
163.11218	1.1
164.07191	25.3
169.09778	4.4
194.09245	1.0
195.07722	2.6
213.08772	1.2
239.06757	11.3
241.71156	0.5
257.07608	4.8
275.10403	14.5
293.11472	9.5
313.67581	0.5
342.14459	0.7
360.15149	0.8
386.13477	2.1
387.16721	4.7
404.15024	4.9
422.15741	35.6
423.16412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3073
Annotation	Radarin B
Peak:m/z	Relative Intensity
57.31134	0.7
59.01394	9.7
61.98834	1.0
78.95904	0.9
84.04712	0.8
98.98269	0.8
108.17525	0.7
116.79615	0.7
124.51799	0.8
133.10127	0.9
145.03462	0.8
162.10516	5.3
163.11288	100.0
164.11555	1.1
179.10756	5.6
194.09477	6.2
212.95454	0.8
246.18639	51.4
422.30692	80.7
423.30728	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	423.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
59.01390	72.7
60.77424	0.5
71.01386	10.8
83.01385	1.9
85.02956	3.9
89.02448	13.1
89.19669	0.5
95.01379	0.6
101.02446	9.2
113.02441	5.0
119.03492	4.4
142.60374	0.6
153.84752	0.5
158.59654	0.5
163.11287	10.0
192.24979	0.5
207.10318	9.3
213.16425	0.5
251.03354	0.6
387.16669	100.0
388.16989	3.1
440.98721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2523
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
74.84384	0.3
78.95902	13.1
86.69327	0.3
87.44685	0.3
94.99011	0.3
104.97469	0.5
110.98525	9.3
152.99554	0.4
162.94232	0.3
167.01160	8.5
184.25249	0.3
185.02200	2.1
208.63583	0.3
255.23331	100.0
256.23593	1.4
271.22952	0.4
423.25253	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	423.2908
Annotation	Dankasterone A
Peak:m/z	Relative Intensity
50.51109	0.4
50.95206	0.4
60.79396	0.4
77.26847	0.4
89.37112	0.5
92.11734	1.3
95.53279	0.5
106.10534	0.5
144.44366	0.5
162.10501	1.1
163.11287	100.0
164.11630	5.0
165.11942	1.1
190.10014	13.7
194.09456	2.0
247.17043	53.4
248.17529	0.9
259.17053	10.7
339.23431	1.0
341.24042	2.9
423.29120	70.0
424.29483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88905	1.0
56.55644	1.1
58.56114	1.2
66.03488	7.1
68.01395	1.8
71.01372	1.5
72.00919	9.4
74.00077	1.1
74.02475	1.4
75.00874	2.0
82.02985	13.4
83.55226	1.3
83.82596	1.4
88.04060	1.9
93.03455	8.8
96.04509	1.3
110.02478	60.8
111.02009	15.7
115.04002	1.6
118.18875	1.5
119.05024	31.8
122.02483	3.0
124.04030	1.5
130.08701	2.7
140.03566	8.6
152.03516	11.4
153.03061	5.1
163.04018	31.0
179.05649	2.3
180.06680	100.0
199.63974	1.4
200.05687	20.9
219.35631	1.5
241.77435	1.5
243.06239	87.4
248.89565	1.3
250.94577	1.3
290.87906	1.2
387.55759	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	424.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37112	0.2
57.03460	0.2
57.56738	0.2
59.01391	2.3
61.98837	100.0
65.65169	0.2
73.02958	1.4
80.63838	0.2
85.02944	0.3
87.04530	0.8
91.40234	0.2
96.95999	12.0
106.59660	0.2
109.06591	0.4
169.12344	0.3
179.10826	0.3
197.11942	1.0
199.13429	1.9
211.13411	1.5
220.75369	0.2
278.07642	0.2
343.21432	0.8
346.86420	0.2
361.22379	19.1
362.22845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96816	0.1
56.49641	0.1
57.03455	0.3
59.01372	0.3
60.38582	0.2
61.98837	100.0
83.01356	0.1
83.05036	0.3
85.02941	0.4
92.12410	0.2
111.00880	0.2
130.41798	0.2
171.10326	1.1
201.11186	0.2
226.84564	0.2
227.93500	0.2
235.71591	0.2
237.15259	0.2
361.22330	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	424.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17532	0.2
59.01360	0.2
72.13815	0.2
78.95908	17.2
82.95416	0.3
84.76313	0.3
86.65956	0.2
92.11779	0.6
122.00139	1.0
138.92361	0.2
140.01193	5.2
140.66199	0.2
152.99571	1.5
162.50873	0.2
168.64413	0.3
196.03798	8.7
214.04865	1.2
227.20183	100.0
228.20531	1.1
326.56110	0.2
334.56195	0.2
385.38956	0.2
392.96274	0.2
424.24759	21.7
425.25070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.25
Annotation	Lythranidine
Peak:m/z	Relative Intensity
50.08717	0.4
59.01387	2.0
61.98824	1.0
64.34862	0.5
71.61500	0.5
72.70965	0.4
78.95925	4.5
79.95708	0.7
84.04567	0.7
86.02486	53.8
90.81065	0.6
99.92595	0.6
120.53918	0.5
121.36524	0.6
147.08147	2.3
149.09729	3.3
161.09695	0.8
163.11287	6.7
167.86382	0.5
168.56750	0.6
187.11267	3.4
189.10437	0.5
189.67319	0.5
195.09055	1.2
220.14668	0.6
222.52139	0.5
255.23262	0.7
256.23553	1.0
265.12408	0.8
279.23428	2.2
280.14639	1.1
307.16980	1.0
309.22241	2.9
321.18558	0.8
322.19458	0.6
337.21759	100.0
338.22049	5.9
351.40952	0.6
424.24985	56.7
425.10626	0.7
425.25314	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50927	0.6
56.02918	0.6
56.15319	0.5
57.03445	1.0
59.01384	10.9
68.45647	0.6
69.02969	0.5
71.01373	5.8
71.01849	0.6
78.95921	0.8
82.95417	13.7
85.02939	0.9
87.00871	0.6
89.02441	2.9
92.66653	0.6
93.27534	0.7
96.96005	7.7
97.06601	1.5
101.02410	1.0
108.02139	1.5
113.02431	1.0
115.07677	1.2
121.02955	1.2
122.03749	2.9
132.02138	2.2
135.00858	1.3
138.03261	3.0
145.02966	6.2
146.03755	43.2
147.04295	0.6
149.02452	13.0
150.03186	3.0
156.02164	3.5
159.00905	0.7
159.06651	4.7
161.02431	1.3
167.03505	13.2
168.05722	0.6
173.02472	1.0
174.03252	8.6
177.01964	1.4
179.73587	0.5
185.02509	0.8
187.03998	0.8
190.02817	1.2
198.03471	0.6
215.03598	1.1
217.01482	2.4
219.03055	6.4
233.04594	41.7
243.02974	10.5
245.04456	1.2
259.02539	2.5
261.04068	57.0
273.04071	5.0
291.05188	1.5
323.54755	0.7
381.08331	18.7
389.18076	0.9
425.07318	100.0
426.07776	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	425.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
57.03445	0.8
59.01394	62.9
61.98827	3.3
70.08159	0.5
71.01389	10.7
72.99319	0.5
73.02928	3.1
83.01387	3.0
85.02962	5.7
89.02432	3.8
92.12380	1.0
95.01373	0.5
99.00866	0.9
101.02435	10.1
113.02428	4.9
119.03501	2.0
152.55981	0.5
159.03026	0.6
209.11852	0.6
227.12881	1.0
321.14987	0.5
387.16580	1.9
389.18213	100.0
390.18542	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	425.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54393	1.4
53.34581	1.4
55.01881	2.2
57.03195	2.8
57.03457	63.5
57.12309	1.3
59.01389	100.0
60.82181	1.5
61.98822	2.5
71.01383	31.6
72.99305	1.7
73.02944	8.6
74.51768	1.4
78.95908	2.3
82.70286	1.7
82.95411	21.2
83.01398	3.7
85.02941	11.5
87.00842	2.1
87.04501	1.8
89.02435	16.0
94.98115	2.0
95.01362	2.2
96.96011	15.8
99.00908	3.7
99.04507	35.1
101.02433	36.1
107.03326	1.7
113.02456	18.3
116.92836	2.0
119.03496	6.6
119.07124	7.4
125.02425	24.8
128.03549	10.2
143.03491	3.2
161.04556	17.0
161.08241	1.9
164.07205	3.8
225.07742	2.2
263.11334	11.5
281.12466	48.9
305.07309	2.0
323.06210	1.9
323.13531	11.5
363.16544	3.1
375.01868	1.9
387.16620	7.8
425.16223	15.2
439.14819	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	426.3019
Annotation	Tortifolisine
Peak:m/z	Relative Intensity
58.02974	3.2
59.01389	2.8
66.13498	1.3
69.89491	1.3
72.00916	11.9
88.70553	1.4
91.05519	6.4
91.16074	1.2
102.64500	1.2
113.36759	1.3
120.85774	1.4
135.04578	1.9
147.04523	47.9
164.07172	86.2
290.25009	1.8
378.67252	1.7
426.30206	100.0
427.30566	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56289	0.9
57.03456	100.0
59.01385	90.3
63.26921	0.8
65.40043	1.0
71.01383	17.1
73.02938	1.6
76.17769	1.1
81.03448	1.5
85.02946	10.4
89.02428	16.2
94.49776	0.9
99.04508	68.1
101.02418	20.4
113.02455	10.0
119.03487	5.2
119.04929	1.4
125.02429	28.5
131.03474	1.6
143.03496	2.5
152.91957	1.1
161.04541	1.1
179.05608	1.6
222.12862	1.0
307.10291	1.4
349.78003	1.0
382.29489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
51.67783	0.7
55.01876	4.1
57.03456	8.3
58.00584	1.4
59.01389	81.4
59.23450	0.8
71.01383	35.2
72.99303	3.8
73.02601	1.0
73.02953	18.5
75.00876	1.2
76.57699	0.9
83.01396	11.0
83.44414	0.9
85.02470	1.2
85.02953	32.7
87.00858	5.5
89.02439	21.4
95.01386	1.9
96.95990	4.9
99.00864	1.4
101.01855	1.4
101.02448	24.9
103.58902	0.8
111.00845	2.0
111.04504	4.9
113.02451	14.2
119.03483	9.8
120.94627	0.9
121.02939	5.0
121.06595	0.8
129.01917	5.1
131.07059	1.7
137.09715	3.7
153.09178	1.5
161.04504	2.0
161.05865	1.0
185.13394	2.0
187.11339	8.6
190.09967	1.1
203.14426	14.4
205.12402	8.8
211.35081	0.8
223.13260	1.1
229.08253	1.0
233.11821	2.1
261.09671	0.9
268.03769	0.8
282.05283	0.9
332.84372	0.9
367.17453	1.1
403.58838	0.9
427.19778	100.0
429.85464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04697	0.2
51.91705	0.2
53.34365	0.2
55.83514	0.2
59.01387	100.0
66.71618	0.2
68.99593	0.4
79.66743	0.2
81.89597	0.2
85.96377	0.2
89.02435	0.3
91.04012	1.9
94.26892	0.2
112.98593	0.3
195.13902	1.0
223.13464	0.3
275.20206	0.3
293.21255	12.8
326.68854	0.2
329.80167	0.2
381.53854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80657	0.4
56.46302	0.4
59.01387	100.0
59.22306	0.4
61.98830	5.0
67.38048	0.5
82.95408	0.9
108.61085	0.5
148.89139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98824	1.2
70.82006	0.7
117.92241	0.8
138.98030	0.8
171.34578	0.9
225.88608	0.9
234.84300	0.8
243.52336	0.9
294.39615	0.8
305.21262	28.2
306.21591	0.9
323.22260	1.4
349.23883	7.3
367.24954	1.1
374.56598	0.8
397.45593	0.9
443.16174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36455	0.4
59.01387	100.0
61.98837	0.5
62.17464	0.4
63.95568	0.5
66.68977	0.4
67.65661	0.5
72.19100	0.5
85.01442	0.4
89.02454	0.5
91.04005	1.0
92.12371	1.1
103.92095	0.4
107.27344	0.5
214.21547	0.5
235.17099	1.2
275.20224	3.9
293.21286	8.7
432.43512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
59.26370	0.7
61.73115	0.7
79.39713	0.8
93.71149	0.7
93.77710	0.7
154.10556	0.8
154.82626	0.8
168.05841	0.8
237.69147	0.8
277.36685	0.7
311.16708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04867	1.2
55.01884	18.4
59.01384	3.8
69.85672	1.3
71.01384	2.5
75.00866	7.7
83.02282	1.4
83.09010	1.4
85.02963	2.6
89.02441	2.4
100.96455	1.5
121.03040	1.3
123.16341	1.5
129.01962	15.5
147.03038	12.6
155.26759	1.6
279.23297	100.0
280.23660	1.8
371.52631	1.6
427.27112	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	427.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67277	7.0
59.01397	86.2
71.78959	7.3
78.95910	9.6
81.74723	8.4
114.39016	8.6
119.12994	8.1
187.67215	8.7
246.61557	9.3
307.28366	8.1
427.27277	100.0
447.82837	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	427.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57412	0.4
59.01389	0.8
59.07559	0.4
60.35193	0.4
61.98837	100.0
67.16113	0.4
71.22607	0.4
77.55563	0.4
92.11762	0.4
101.07200	0.5
106.59254	0.4
123.21914	0.4
192.97569	0.4
234.30624	0.4
427.25790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03193	0.8
57.03463	18.9
59.01389	12.0
61.98840	100.0
66.64733	0.3
71.01382	1.9
72.73675	0.4
73.02962	0.8
78.09130	0.4
83.01410	0.5
85.02969	1.6
89.02453	0.4
90.12884	0.4
96.96020	2.0
99.04506	13.0
101.02444	6.3
113.02469	0.5
119.05233	0.4
125.02426	4.2
143.03505	0.7
161.04559	1.8
193.05069	0.6
216.73227	0.4
221.10303	6.8
258.52365	0.4
263.11331	2.1
263.22232	0.4
303.14615	1.7
365.14557	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	429.1253
Annotation	mannosylglucosylglyceric acid
Peak:m/z	Relative Intensity
59.01390	12.3
67.86985	0.3
71.01386	7.1
76.43575	0.4
77.84033	0.3
82.36957	0.4
85.02953	0.5
87.00872	100.0
88.01204	0.5
89.02435	7.9
101.02444	3.0
113.02440	2.8
118.49987	0.4
119.03510	3.2
131.03456	0.5
146.84230	0.4
161.04547	0.7
179.05623	3.5
271.99326	0.4
299.76135	0.4
315.83621	0.4
316.67896	0.5
335.54541	0.4
341.10953	14.3
367.91098	0.5
399.48444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1253
Annotation	mannosylglucosylglyceric acid
Peak:m/z	Relative Intensity
59.01390	12.3
67.86985	0.3
71.01386	7.1
76.43575	0.4
77.84033	0.3
82.36957	0.4
85.02953	0.5
87.00872	100.0
88.01204	0.5
89.02435	7.9
101.02444	3.0
113.02440	2.8
118.49987	0.4
119.03510	3.2
131.03456	0.5
146.84230	0.4
161.04547	0.7
179.05623	3.5
271.99326	0.4
299.76135	0.4
315.83621	0.4
316.67896	0.5
335.54541	0.4
341.10953	14.3
367.91098	0.5
399.48444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.2
56.16281	0.4
56.21243	0.4
57.03465	2.4
59.01392	95.0
65.00329	0.5
69.03469	0.5
69.91388	0.4
71.01393	13.7
71.05042	0.8
73.02950	5.2
78.85104	0.4
81.03455	5.4
83.01407	3.0
85.02958	7.6
87.00867	0.8
87.96887	0.5
89.02443	4.5
92.12371	0.9
93.03379	0.5
95.01424	0.9
95.05043	2.4
97.02947	5.8
99.00891	2.0
99.04530	1.0
100.86279	0.5
101.02445	12.6
109.02952	0.4
113.02451	7.4
119.03542	1.2
122.03747	1.1
125.02438	6.8
125.28293	0.5
137.06082	53.5
138.06432	0.6
139.04044	1.0
145.12431	0.6
149.02495	1.1
151.00380	0.9
151.03978	1.0
161.04570	3.3
163.04008	0.6
165.05525	0.9
175.00406	0.6
177.05589	0.6
181.05074	100.0
182.05402	2.3
195.06621	2.8
205.05067	19.6
223.06178	8.0
234.68883	0.6
235.06169	3.0
278.02448	0.5
289.16580	0.8
307.17612	15.4
349.18704	8.5
385.11450	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	429.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95720	0.5
56.81070	0.5
59.01381	1.3
72.00589	0.7
72.00912	11.5
74.02470	17.0
91.03139	0.6
92.12448	1.2
102.29359	0.6
114.08401	0.6
116.05058	68.9
116.64106	0.7
129.05872	0.7
130.06613	16.4
142.06628	19.4
146.20062	0.7
157.07706	1.5
159.08102	1.0
159.09282	14.5
161.04813	2.7
173.60052	0.7
186.05598	1.5
196.71217	0.6
203.08286	100.0
225.06464	58.4
289.50540	0.7
297.10760	0.6
429.15424	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	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
59.01390	100.0
69.03469	0.7
71.01385	10.6
72.99306	0.4
73.02951	12.8
80.40546	0.4
80.75536	0.4
83.01399	3.3
85.02960	3.6
87.72522	0.4
89.02439	4.4
101.02446	9.4
113.02452	3.2
119.03486	0.7
123.08199	0.7
124.04035	0.7
152.01273	0.7
152.03558	2.6
154.05307	0.4
161.04558	0.7
163.11292	4.6
182.43074	0.4
189.12857	0.7
207.10306	6.9
207.13869	0.6
246.80975	0.5
313.84421	0.4
329.11203	0.5
340.22043	0.5
369.15610	1.7
387.16672	4.2
391.06961	0.4
429.17712	52.8
430.17926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83197	0.7
59.01389	7.7
67.53914	0.7
70.03007	0.9
71.01374	0.7
72.04543	6.0
78.02964	0.7
78.21516	0.8
78.29213	0.7
82.03004	1.7
85.02964	1.4
86.02473	6.4
87.00875	2.9
93.55158	0.9
96.00898	0.9
98.02458	0.8
99.04507	1.6
100.04055	11.1
108.00877	1.0
110.02427	0.7
111.00874	1.8
111.01988	3.2
113.06042	1.0
116.05067	31.7
124.72372	0.7
125.03570	1.4
126.01963	38.0
128.03506	1.4
130.08736	58.0
132.99387	0.8
141.10367	5.2
142.06641	4.2
143.11899	10.8
151.01538	1.0
153.10304	1.7
156.06664	2.9
166.23793	0.8
166.35130	0.8
169.09836	17.5
169.13455	17.4
182.08241	1.0
185.13008	4.3
194.12990	1.1
195.11423	1.3
213.12427	7.1
238.11951	1.6
254.96994	0.8
255.07869	7.1
255.15126	1.3
257.11438	34.4
318.08084	0.9
327.90189	0.9
386.17242	100.0
387.17709	1.4
411.16708	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	429.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98653	0.1
56.63153	0.1
60.01936	0.1
64.02767	0.1
64.10983	0.1
67.32748	0.1
71.01376	0.2
74.23620	0.1
87.85228	0.1
99.92577	4.7
100.92813	0.2
100.93357	10.9
115.92074	100.0
116.92114	0.6
116.92853	6.2
123.92545	0.1
132.92343	1.1
142.94463	0.3
152.28873	0.1
154.94519	0.2
155.95378	0.1
160.48119	0.1
165.56372	0.2
172.95459	3.6
225.90196	0.1
236.69499	0.1
241.89728	0.1
247.22592	0.2
253.68053	0.1
255.23282	0.8
257.37375	0.2
311.01111	0.1
319.82220	0.1
330.62994	0.2
355.15891	0.3
381.17551	0.9
385.31442	0.2
429.19507	5.6
429.29639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
63.89293	0.4
65.41217	0.3
71.01382	7.1
73.02940	6.6
75.55625	0.3
76.58338	0.3
83.01396	1.8
85.02958	2.2
89.02432	2.5
95.01370	0.6
95.38273	0.3
101.02437	4.9
113.02448	2.2
119.03526	0.5
123.08167	1.5
151.40332	0.4
152.03520	3.3
161.04503	0.8
163.06400	0.4
163.11322	4.0
164.07234	0.4
165.05533	0.4
189.12909	3.1
207.10321	3.7
207.13922	2.4
252.52800	0.5
369.15591	1.5
369.70068	0.4
375.92490	0.4
387.16650	2.8
429.17703	25.9
430.17609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36509	0.3
57.03462	0.4
58.00593	0.6
59.01387	47.1
71.01383	34.4
72.01691	0.4
72.99304	0.7
83.01376	0.5
85.02950	4.0
85.21385	0.4
87.00874	14.5
87.67043	0.3
88.00414	0.6
88.01219	2.6
88.04034	13.4
88.98801	0.8
89.02441	100.0
95.01371	2.3
100.46621	0.3
101.02435	16.5
104.84494	0.3
113.02446	14.3
115.88105	0.3
119.03496	15.3
119.04350	0.6
131.03506	2.1
143.03505	2.8
149.04594	1.6
161.04541	3.8
179.05618	14.0
204.08240	0.3
341.10913	68.4
342.11252	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	430.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44145	0.3
54.64972	0.3
58.93069	0.2
59.01382	0.3
60.99314	0.4
71.01381	0.2
72.00907	12.7
75.95444	0.2
78.46059	0.2
88.98804	2.9
91.05523	1.2
91.34945	0.2
93.03424	0.3
95.31812	0.3
96.96021	0.3
98.16106	0.2
99.04536	0.3
123.74456	0.3
137.02516	0.3
147.04530	47.6
148.04865	0.6
163.33968	0.3
164.07179	100.0
165.07530	2.8
168.21445	0.3
177.23621	0.3
258.31342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.4
61.98843	100.0
78.95916	0.8
92.11723	1.1
115.35189	0.4
116.92805	0.4
152.99625	0.7
163.89957	0.4
190.64468	0.4
244.42293	0.5
296.31763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
61.98838	100.0
76.87428	0.1
78.95930	0.1
81.08166	0.1
109.36429	0.1
116.92887	0.9
120.16012	0.1
177.10060	0.1
180.03413	0.1
201.35558	0.2
417.85031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81291	0.3
59.01106	0.5
59.01389	11.6
60.01719	0.5
61.98837	100.0
62.32781	0.3
68.35162	0.3
78.95910	0.4
87.12511	0.3
92.11811	0.4
116.92874	0.4
121.49295	0.3
234.26512	0.3
373.38644	0.4
427.79181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68400	0.1
59.01399	1.1
59.94627	0.1
60.43368	0.1
61.98840	100.0
62.27313	0.1
65.26440	0.2
87.89051	0.1
96.67775	0.1
96.68425	0.1
116.92863	0.3
135.20215	0.1
206.79807	0.2
414.77533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0984
Annotation	Galanginin
Peak:m/z	Relative Intensity
50.90548	0.4
51.17216	0.5
56.08601	0.5
57.03466	10.4
59.01393	63.2
60.01713	1.1
65.17684	0.8
71.01397	6.1
73.02943	3.7
82.77224	0.7
83.01392	1.1
85.02972	8.7
85.80800	0.8
88.98808	5.0
89.02441	3.8
99.00863	0.6
99.04504	5.2
101.02433	8.0
104.51028	0.6
107.04958	1.1
107.29431	0.7
108.02172	0.8
113.02471	3.6
119.03544	0.9
125.02459	0.8
132.02202	6.6
135.00819	0.8
153.01953	1.0
161.04539	1.0
181.36496	0.6
184.05275	1.1
195.04506	1.6
196.05286	0.9
209.85158	0.8
211.04045	7.1
212.04782	2.6
223.03969	4.7
224.04773	3.7
226.02759	2.5
239.03542	14.1
240.04274	4.1
249.13428	3.1
257.38824	0.8
267.03009	17.0
268.03784	100.0
269.04550	17.7
282.73593	0.7
287.14993	1.6
311.05823	0.8
371.17160	0.8
387.16711	3.0
393.17679	3.9
396.16138	1.0
431.09875	82.8
432.10175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0986
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
57.24611	0.3
59.01102	0.6
59.01387	12.8
60.54887	0.3
63.02405	1.6
65.00314	0.6
71.01381	1.6
71.01767	0.3
73.02940	2.2
80.90183	0.4
83.01380	0.7
86.74075	0.4
89.18601	0.3
91.01880	0.8
92.11750	1.1
101.02437	1.9
107.01382	1.7
113.02470	0.8
126.34618	0.3
132.02158	4.0
133.02971	4.6
135.00903	0.8
135.04524	0.7
141.61795	0.4
151.00352	0.4
153.01971	0.7
154.04199	0.5
159.04448	0.7
167.03587	0.4
167.04958	0.5
168.91179	0.5
169.06534	0.4
180.05832	0.9
181.06635	1.9
183.04491	2.4
184.05325	0.5
195.04532	1.6
196.05286	2.4
197.06052	1.4
199.03993	0.8
201.05574	1.8
211.04077	6.3
212.04811	1.4
213.05562	0.7
223.03984	3.9
224.04774	4.2
225.05612	1.5
226.02742	2.5
227.03569	0.6
227.07124	0.5
236.08141	0.4
239.03500	11.8
240.04292	4.5
241.04971	0.7
267.03027	11.1
268.03790	83.5
269.04568	100.0
270.04993	1.6
288.24301	0.5
311.05643	0.7
430.17990	0.7
431.09863	53.4
431.19180	2.0
432.10162	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	431.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24885	0.1
52.74677	0.1
55.81837	0.1
59.01383	0.4
67.38571	0.1
93.03446	0.4
117.03448	0.1
119.01353	0.2
123.04503	0.2
126.81721	0.1
132.02139	0.2
143.05054	0.1
145.06567	0.1
157.06601	0.3
167.03496	0.7
167.04904	0.3
169.06601	1.4
171.04576	0.3
173.06073	1.2
175.00238	0.1
176.01138	0.2
176.67778	0.1
179.64052	0.1
180.05737	0.1
181.06615	1.0
184.36972	0.1
185.06094	0.9
195.04596	0.9
196.05275	0.5
197.06082	2.3
199.04047	0.2
212.04837	0.2
213.05617	3.2
217.05038	0.7
219.89667	0.1
223.04024	0.5
223.77950	0.1
224.04851	1.6
225.05579	2.0
239.03497	0.5
240.04294	3.0
241.05070	2.1
264.30658	0.1
268.03781	1.5
269.04593	100.0
270.04947	1.7
431.09961	0.8
431.18835	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	431.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
74.22267	0.1
78.86501	0.1
79.62146	0.1
93.03410	0.3
117.03429	0.2
119.01344	0.6
133.02954	0.1
143.05000	0.2
145.06557	0.1
147.00854	0.2
148.01706	0.2
155.04973	0.1
157.06566	0.4
167.03479	0.7
167.04828	0.3
169.06592	1.5
171.04510	0.6
173.06088	1.0
176.01164	0.2
181.06609	0.6
183.04488	0.2
185.06071	1.2
195.04533	1.2
196.05283	0.6
197.06081	2.2
199.03955	0.3
211.04042	0.3
212.04851	0.2
213.05615	3.1
217.05106	0.9
223.03989	0.4
224.04803	1.4
225.05579	2.3
239.03506	0.3
240.04282	3.0
241.05089	2.0
268.03754	2.0
269.04565	100.0
270.04977	1.0
411.53125	0.1
431.10065	0.9
431.18982	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	431.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	89.2
59.01384	9.9
61.90285	0.7
69.03449	3.7
70.93444	0.6
71.01365	4.6
73.02940	1.7
81.03448	1.2
83.01376	1.4
85.02933	2.9
90.77267	0.7
95.01372	0.8
96.95982	1.6
97.02946	22.4
99.04516	37.2
99.91071	0.8
101.02431	12.9
113.02398	1.6
115.53153	0.7
125.02435	100.0
161.04556	4.1
176.71967	0.7
203.05640	1.0
225.07727	0.8
243.08734	1.0
365.56937	0.8
431.12103	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35344	0.5
57.03458	80.2
58.95855	0.5
59.01394	10.2
69.03445	4.2
71.01392	5.9
73.02950	1.1
77.37215	0.5
81.03439	2.4
83.01402	0.9
85.02954	1.3
89.19018	0.6
92.11667	1.7
95.01387	0.8
97.02944	22.4
99.04512	35.0
101.02441	12.0
105.19805	0.6
113.02438	1.5
125.02438	100.0
126.02752	0.8
143.03477	1.2
161.04604	3.3
194.32657	0.6
329.08987	0.9
375.22043	0.7
431.11853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.2
60.01727	0.2
71.01378	5.8
72.99264	0.2
74.16777	0.2
85.02947	0.9
87.00870	1.9
88.04010	0.4
88.98804	1.4
89.02433	100.0
90.02753	0.8
92.11762	0.4
93.09722	0.2
94.62930	0.2
95.01381	0.3
101.02431	2.5
106.86753	0.2
113.02435	2.3
117.33313	0.2
119.03466	2.5
128.67021	0.2
131.03436	0.3
143.03539	0.3
161.04558	0.4
178.16959	0.3
179.05612	3.0
191.30304	0.2
195.31425	0.2
286.09927	0.3
341.10889	17.5
342.11163	2.3
431.13882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88092	0.6
54.82655	0.5
55.01883	1.4
56.38111	0.5
57.03456	3.3
58.00594	0.5
59.01386	100.0
60.99300	0.9
61.98835	13.8
65.00332	0.9
69.03477	0.6
71.01382	20.2
72.99310	1.1
73.02943	14.9
73.66064	0.6
82.95403	1.4
83.01388	7.5
83.86056	0.6
85.02947	16.2
87.00873	0.7
88.98792	5.9
89.02430	7.3
91.01868	0.8
96.96018	0.7
99.00901	1.3
101.02439	19.6
107.01378	1.4
111.00885	0.8
113.02466	7.0
114.62649	0.7
118.08994	0.6
119.03485	1.5
121.02950	2.7
121.10204	4.7
127.03999	0.9
129.01955	1.1
133.02972	5.4
147.03070	0.6
151.00407	1.0
153.02037	0.8
157.02992	1.0
159.04559	0.9
161.04547	4.2
169.06598	0.8
180.05801	1.2
181.06541	5.2
183.04582	3.0
196.05324	0.8
197.04442	0.7
197.06088	0.9
201.05577	4.4
213.05588	1.6
224.04788	0.9
225.05621	4.7
227.07133	1.1
240.04314	1.5
241.05069	1.1
253.05177	0.8
268.03802	3.3
269.04572	71.0
270.04865	1.6
301.16687	2.4
327.14633	0.9
345.15704	1.2
387.11874	1.1
387.16635	22.6
431.09891	31.7
431.19452	4.0
432.10153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.3
61.98832	0.4
71.01369	0.5
78.95901	80.0
82.32977	0.3
88.94853	0.3
89.02451	0.4
92.11719	0.6
96.96957	6.9
99.01545	0.3
101.27293	0.3
105.54404	0.3
119.76889	0.3
150.98013	2.4
152.99591	100.0
171.00592	2.8
223.81856	0.3
227.47299	0.3
269.21323	1.6
271.22958	0.3
271.88208	0.4
277.21692	2.3
282.47183	0.3
431.21860	12.5
431.26712	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52743	0.3
52.79285	0.2
59.01387	4.9
59.27075	0.3
59.40420	0.2
60.01731	0.4
61.98550	0.3
61.98837	1.5
64.00815	0.3
67.08445	0.2
78.95903	78.3
91.02811	0.2
96.75800	0.2
96.96960	7.2
150.98038	2.2
152.99599	100.0
157.12451	0.3
171.00653	2.6
277.21719	1.3
288.77310	0.3
431.22098	14.6
438.19092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10141	0.3
54.82746	0.3
55.01878	0.2
57.03460	7.3
59.01390	88.9
60.99325	0.3
61.21146	0.2
61.98839	0.4
65.00341	0.3
71.01388	5.6
72.99326	0.4
73.02959	1.6
73.35473	0.2
75.69224	0.2
76.67419	0.3
78.66603	0.3
81.24337	0.3
81.62650	0.2
83.01414	0.4
83.17850	0.3
83.22519	0.3
85.02983	2.4
85.03419	0.3
88.98828	1.9
89.02450	4.4
93.03458	0.7
96.96037	0.5
99.04523	5.1
101.02444	5.3
107.01407	0.4
113.02460	2.0
117.03479	0.6
119.03515	1.4
119.05043	0.4
125.02465	1.9
128.97401	0.3
132.02222	0.6
133.02985	0.7
141.07137	1.3
143.05026	10.5
144.05356	0.3
145.02998	0.6
150.03239	0.4
153.01915	0.4
157.06587	1.9
159.08145	3.5
161.04597	0.6
162.02351	1.6
165.05569	0.4
179.05615	1.8
181.06647	1.6
182.07349	3.0
183.08189	5.2
184.05278	0.4
185.06084	18.7
186.06477	0.5
190.45308	0.3
195.04298	0.3
211.04097	0.6
212.04836	0.4
225.05740	0.4
227.07164	100.0
228.07460	3.7
239.03551	3.0
239.58702	0.3
240.04366	0.4
249.13383	2.2
267.03009	2.6
268.03769	14.8
269.04559	17.7
270.05023	0.6
317.24017	0.3
387.16455	0.6
393.17667	2.5
431.09869	6.4
431.18716	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82952	0.8
54.95155	0.7
59.01387	100.0
61.98838	1.5
65.09465	0.7
75.00871	0.7
78.95898	1.7
139.96046	0.9
146.13573	0.7
152.99641	1.4
186.48763	0.7
297.24469	1.2
356.30234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91504	0.3
53.78762	0.4
57.86547	0.4
59.01389	100.0
60.58110	0.4
61.98838	2.7
93.27617	0.4
108.49837	0.4
118.41068	0.4
123.93879	0.4
128.71861	0.4
152.99660	0.6
170.22128	0.4
208.47357	0.5
232.46454	0.5
297.24512	1.0
454.10339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34081	0.5
55.01894	4.4
57.03466	25.5
59.01402	8.7
69.03434	0.6
71.01376	3.6
71.77467	0.5
72.99299	3.3
73.02949	0.8
75.00850	1.2
83.01390	6.7
84.02175	1.1
85.02957	100.0
87.00876	0.7
89.74469	0.5
93.02903	0.8
93.03462	18.1
101.02431	1.1
111.00880	10.6
118.92786	0.5
121.02075	1.1
121.02954	30.7
129.01936	34.4
131.04964	0.6
133.06573	2.1
135.04495	1.2
137.02444	19.4
147.02995	9.1
147.56990	0.5
151.00388	0.6
159.04590	0.7
160.03703	0.6
161.06133	2.0
162.26181	0.5
173.00909	5.8
177.05563	0.8
189.05627	2.4
191.02025	7.8
205.05127	3.6
251.05623	3.9
267.05081	3.0
269.04181	1.1
270.04791	0.6
295.04642	0.8
313.05670	9.9
433.10901	0.6
433.21017	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25244	0.4
57.03456	9.4
58.66269	0.5
59.01390	12.5
60.01702	0.4
63.02386	2.6
65.00317	4.9
67.28354	0.5
69.03435	0.6
71.01389	3.6
73.02940	2.3
81.03451	2.5
83.01385	9.6
85.02922	2.1
88.19759	0.5
88.98798	0.9
89.02428	1.2
91.05524	2.0
92.12376	1.1
93.03444	3.6
97.02305	0.5
97.02927	1.2
101.02412	3.5
102.34546	0.5
107.01392	11.1
108.02176	1.0
111.04533	0.6
113.02431	1.0
115.05511	0.6
119.05003	12.0
121.02927	1.1
125.02431	100.0
126.02778	0.8
136.01642	0.9
139.03987	2.5
141.07137	1.1
145.02937	0.5
149.02440	8.7
150.24944	0.5
151.00372	32.9
152.01126	2.1
153.01927	1.0
157.06564	2.2
161.06075	2.3
163.04010	3.6
164.01183	1.0
165.01906	0.8
165.07059	0.8
169.01482	1.3
177.01968	2.6
178.99875	6.5
181.06593	2.8
183.04533	0.7
183.08075	1.2
185.06140	3.8
197.06126	0.8
199.07645	4.0
209.06117	6.6
225.05573	1.2
227.07135	3.8
229.05093	3.3
235.79524	0.5
243.06615	31.4
253.05077	51.4
254.05345	1.1
267.06378	0.6
271.06131	39.2
295.06097	0.9
347.17245	2.2
389.18280	6.4
433.11438	70.5
434.11746	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97048	0.9
61.09681	1.0
67.01888	1.6
72.33553	0.9
79.05537	8.7
91.05537	1.3
93.03461	6.0
95.01385	6.6
105.03470	6.0
107.05038	6.9
109.02969	20.8
119.05016	2.4
121.02952	14.0
121.34380	1.4
122.03728	9.5
123.04519	93.9
127.06389	1.1
133.02971	6.2
135.00894	1.8
135.04524	30.3
136.01697	2.2
137.02386	8.5
141.70355	1.2
145.02991	2.1
147.04643	1.5
148.01633	2.0
149.02448	20.1
150.03227	21.3
151.04016	31.7
160.37828	1.1
161.02419	3.7
163.04004	39.1
167.03595	1.0
177.01981	5.2
178.02673	8.2
181.05104	9.4
182.02193	1.4
197.09573	1.5
205.01439	5.3
207.02966	2.5
208.03854	2.0
211.07562	1.2
235.82941	1.2
239.07161	5.4
241.08701	9.2
243.06683	9.4
255.06665	2.5
257.08289	16.3
265.81271	1.2
267.06714	1.1
269.08188	8.5
271.05872	1.3
281.08276	2.4
283.06223	1.8
285.07715	63.5
286.07919	1.4
297.07690	17.5
299.09244	1.3
311.66043	1.1
313.07205	100.0
315.08749	20.7
325.07101	1.9
343.08243	49.8
355.07980	2.1
397.09286	1.2
415.10236	5.3
433.11368	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	433.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20318	0.3
54.82682	0.3
57.03442	0.7
59.01374	0.5
63.02408	4.3
65.00327	13.0
77.53065	0.3
83.01381	9.3
85.02937	1.4
92.12395	0.4
93.03446	6.8
107.01385	25.6
117.03431	0.5
119.05015	42.0
125.02416	3.2
127.99724	0.3
133.02948	0.7
137.02466	1.4
143.05020	1.5
145.02963	5.6
151.00369	78.9
152.00746	0.7
157.06566	0.6
161.06053	1.6
165.01915	6.9
169.01405	4.5
174.10370	0.4
177.01939	5.8
184.05293	0.5
185.06049	3.4
187.04025	3.8
193.01418	0.6
227.07135	4.5
229.04945	0.4
253.05194	0.5
269.04633	0.7
271.06143	100.0
272.06476	2.3
313.05600	4.6
324.01157	0.4
352.99988	0.5
417.12366	0.4
433.11432	18.7
434.11542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34088	0.3
50.87283	0.3
51.86437	0.2
54.64143	0.3
57.03456	0.4
59.01371	2.1
59.55585	0.3
63.02405	4.0
64.34270	0.2
65.00327	10.8
69.67665	0.3
70.23818	0.3
71.01359	0.7
75.00823	0.3
75.13515	0.3
83.01388	8.3
85.02949	0.6
89.02440	0.5
93.03451	6.3
94.00665	0.3
107.01391	24.0
108.99303	0.4
113.02393	0.3
116.21454	0.4
117.03445	0.6
119.05019	50.6
120.05250	0.4
121.02943	0.6
125.02428	3.6
127.63699	0.4
131.22472	0.3
137.02452	0.6
143.05037	1.5
145.02937	4.2
149.02444	0.7
151.00374	74.5
152.00786	0.6
157.06627	0.4
161.06108	1.5
164.01239	0.4
165.01920	6.6
169.01416	4.0
175.00316	0.3
177.01929	6.1
185.06070	3.8
187.04024	3.7
189.38733	0.4
216.84616	0.3
227.07166	4.2
229.05080	0.5
253.05084	0.8
259.96796	0.3
269.04581	0.5
271.06149	100.0
272.06534	1.8
285.25369	0.4
313.05453	2.7
433.11526	15.2
433.17099	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	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39566	0.2
54.82446	0.2
59.01389	1.7
61.98838	0.3
63.02409	3.3
65.00017	0.4
65.00333	7.6
71.01391	0.3
75.08939	0.2
83.01391	5.7
93.03452	10.7
95.01408	0.3
107.01394	18.0
108.02198	0.3
119.05019	58.2
120.05377	0.3
121.02977	0.5
124.92252	0.2
125.02428	1.7
131.01419	0.4
133.83298	0.3
136.01700	0.5
137.02376	0.3
145.02951	0.9
151.00374	56.4
152.00836	0.4
164.01169	1.2
165.01892	2.5
169.01459	2.1
175.00348	1.3
177.01952	6.8
185.06117	0.5
187.04060	0.4
193.01437	1.0
209.15550	0.4
214.99974	0.2
227.07191	0.4
253.05186	0.3
253.14444	0.3
270.04633	0.4
271.06134	100.0
272.06448	1.5
295.06192	0.3
313.07153	1.6
389.18301	0.5
433.11191	1.1
433.20779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66348	0.3
57.03444	0.5
59.01384	3.6
63.02402	1.6
65.00321	3.7
65.03952	0.6
68.99805	0.3
71.01387	0.6
75.56940	0.3
78.95883	0.4
81.03443	0.7
83.01385	3.6
85.02943	0.5
88.98788	1.4
89.02454	0.4
93.03449	8.6
95.01377	1.5
101.02448	0.5
107.01392	7.2
108.02164	1.5
109.02946	4.8
115.05558	0.6
117.07110	1.4
119.05021	7.0
121.02959	3.9
124.01637	1.5
125.02431	4.3
133.06609	0.3
136.01649	0.5
137.01530	0.5
137.02451	8.6
139.05463	0.3
141.07101	1.7
143.05025	1.3
148.01703	0.7
149.99529	0.5
151.00369	15.7
152.01132	2.2
157.06572	1.4
161.06068	0.7
164.01143	1.5
165.01924	100.0
166.02287	0.5
167.03481	0.7
168.00595	0.5
169.01367	0.7
173.06136	0.3
177.01927	1.7
178.99818	0.7
181.06593	1.7
183.04491	0.6
183.08157	1.8
185.06050	0.8
197.06093	9.3
199.07663	1.7
208.05241	0.6
209.06071	2.0
213.05565	1.8
215.07214	0.7
220.12003	0.3
221.21063	0.3
225.05576	12.2
227.07091	1.5
241.05135	4.4
243.06633	8.2
252.04120	0.4
253.05080	12.1
271.06134	52.1
272.06363	0.5
313.07089	1.8
433.11420	73.8
434.11844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.7
59.01381	6.9
61.93765	0.4
61.98825	0.7
63.02399	5.1
65.00319	12.9
68.99799	0.4
71.01367	0.9
82.77024	0.5
83.01381	11.5
85.02937	2.4
88.98790	4.5
89.02485	0.7
92.11771	0.9
93.03437	7.7
97.02921	0.4
101.02406	0.9
107.01385	26.7
107.27791	0.4
108.02186	0.4
109.02924	0.5
117.03483	1.8
119.05013	48.9
121.02964	1.9
125.01499	0.5
125.02403	4.3
135.50200	0.4
137.02449	2.1
143.05013	0.9
145.02940	4.9
149.02420	0.5
149.28186	0.4
151.00366	73.4
152.01045	0.5
153.30995	0.4
157.06523	0.7
161.06042	0.9
165.01929	9.5
167.04942	0.4
169.01396	6.3
177.01927	4.8
182.81612	0.4
185.06064	5.4
187.04015	5.9
193.01482	0.6
227.07095	4.5
229.05042	0.8
229.90401	0.4
253.04944	0.8
269.04514	0.8
271.06128	100.0
272.06448	0.6
313.05734	2.8
314.44608	0.4
341.93961	0.5
373.18488	0.8
433.11340	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	433.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71708	0.3
57.03450	3.4
59.01383	3.2
65.03973	4.7
67.01882	1.8
71.01378	0.5
71.05017	2.6
85.02942	5.5
89.02410	0.4
91.01901	4.1
93.03438	3.4
95.01363	0.7
96.95994	2.9
99.04492	0.9
101.02404	0.7
108.02180	3.6
109.02948	80.6
121.02964	4.1
123.00867	6.2
123.04503	3.5
124.01663	0.4
127.04002	1.9
129.01979	0.6
132.53624	0.4
133.02943	4.9
135.00894	8.6
136.01640	3.2
137.02431	3.5
139.22404	0.4
149.02415	3.0
153.01938	5.2
157.06520	0.5
163.00360	9.6
165.01979	0.7
181.06541	0.6
183.08102	0.7
185.06133	0.6
199.07661	2.6
224.04868	0.5
225.05513	2.8
227.07220	6.5
243.06624	87.6
244.06882	0.4
269.04214	0.5
271.06134	100.0
272.06476	0.8
285.07776	1.6
312.44046	0.4
313.05536	0.5
433.10681	0.9
434.91986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1485
Annotation	5,6,7,2',3',4',5'-Heptamethoxyflavanone
Peak:m/z	Relative Intensity
51.76986	2.9
52.44942	3.6
57.03445	24.0
59.01382	29.3
66.99664	3.4
67.28643	3.6
69.55285	4.1
71.01370	33.2
71.83210	3.4
72.99308	34.7
73.02940	4.5
78.03869	3.7
83.01369	4.2
85.02941	60.7
96.00890	6.9
96.95998	52.9
99.04488	4.3
101.02433	20.4
107.21297	4.0
113.02425	7.0
116.92874	17.2
121.02966	4.2
126.26003	3.5
128.03535	4.4
147.02989	5.9
152.91867	4.0
153.01955	8.7
161.04602	6.7
177.69696	3.7
191.01976	8.9
194.92772	3.7
265.13040	16.5
313.05457	6.8
335.38284	4.1
366.63586	4.2
395.15381	6.3
397.17163	94.5
415.45773	4.9
433.14828	100.0
434.15942	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	433.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.1
57.03456	100.0
59.01387	63.9
61.98843	0.6
66.47129	0.4
68.79279	0.4
71.00987	0.9
71.01381	23.4
73.02950	7.0
81.03462	2.1
83.01405	5.0
85.02950	13.0
89.02452	2.0
92.11655	0.8
95.01394	1.1
99.00907	3.6
99.04516	50.9
101.02438	29.4
113.02464	9.3
125.02438	19.4
125.03353	0.7
132.59279	0.4
143.03595	2.1
154.94142	0.4
155.20676	0.5
159.03053	2.5
161.04556	5.9
190.49803	0.7
287.44418	0.5
289.16608	20.2
289.19534	0.9
330.89005	0.5
331.17886	1.9
371.20709	0.6
427.91040	0.5
433.21149	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	433.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	100.0
59.01107	3.1
59.01397	83.3
60.28162	1.2
61.98845	1.6
68.91072	1.3
71.01395	9.7
78.95916	2.5
81.03461	1.6
85.02959	6.3
89.02444	15.8
92.12505	2.9
99.04522	54.1
101.02439	17.1
113.02428	2.8
119.03513	1.3
120.18813	1.6
123.51661	1.3
124.65089	1.7
125.02441	25.9
140.33177	1.6
150.65807	1.7
152.99533	1.5
187.34796	1.5
306.13699	2.0
362.19617	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	433.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	90.9
96.96955	8.2
150.97981	2.5
152.99590	100.0
171.00676	1.9
194.77806	0.3
236.79887	0.4
251.97311	0.3
277.81879	0.3
279.23279	2.1
280.69638	0.3
433.23669	16.9
433.29739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
71.21398	0.2
74.31712	0.2
78.95900	77.1
96.96959	6.8
122.77742	0.3
131.21936	0.2
150.97992	2.2
152.99588	100.0
171.00674	2.8
197.19466	0.2
279.23358	1.5
293.62183	0.3
433.23630	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	433.2367
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01382	7.0
61.98837	42.3
78.95900	88.1
83.37890	5.6
96.95992	6.4
123.07970	6.4
128.02882	5.8
152.95036	5.9
152.99603	100.0
153.99934	8.2
154.99954	12.5
167.87631	6.6
212.77690	6.3
277.94604	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	433.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05465	1.5
54.83120	2.0
59.01383	3.7
61.56688	1.6
61.98820	8.1
64.68468	1.5
73.27928	1.7
75.03584	1.9
78.95910	18.9
81.42163	1.9
99.92574	10.0
108.80325	1.7
112.59589	1.9
116.92862	100.0
131.23889	2.2
152.99606	20.5
221.60255	2.0
250.50734	2.0
265.21780	11.0
280.97598	2.0
306.49319	2.2
433.22430	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42235	0.5
57.03453	2.6
59.01387	100.0
59.25922	0.6
61.98833	11.1
82.95398	0.7
85.02932	3.4
88.98792	3.1
92.65777	0.6
93.03440	6.3
96.49152	0.6
96.96006	0.7
111.00920	0.9
121.02959	1.5
122.37804	0.7
129.01974	0.9
130.08897	0.6
137.02451	6.2
152.99403	0.6
324.93878	0.7
347.24457	0.9
389.25275	1.3
433.20221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42235	0.5
57.03453	2.6
59.01387	100.0
59.25922	0.6
61.98833	11.1
82.95398	0.7
85.02932	3.4
88.98792	3.1
92.65777	0.6
93.03440	6.3
96.49152	0.6
96.96006	0.7
111.00920	0.9
121.02959	1.5
122.37804	0.7
129.01974	0.9
130.08897	0.6
137.02451	6.2
152.99403	0.6
324.93878	0.7
347.24457	0.9
389.25275	1.3
433.20221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24191	1.5
57.03442	3.8
59.01397	2.9
61.98837	3.0
71.05035	24.5
73.02936	1.8
78.95914	4.1
80.81477	2.0
83.05045	3.2
95.08649	3.1
121.06630	3.3
132.89792	2.3
137.09727	100.0
139.07649	3.2
152.99614	11.4
181.08713	12.4
227.74295	2.1
244.89224	2.0
261.22171	4.1
327.27039	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	433.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59696	0.9
57.03460	10.6
59.01140	0.9
59.01385	14.5
61.98823	3.6
66.34911	0.9
69.03458	1.6
71.01387	21.1
71.93738	0.9
72.99292	4.5
75.00873	62.3
77.68354	0.9
78.95901	14.9
83.01358	0.9
85.02946	15.9
87.00863	12.1
89.02425	3.5
92.11642	1.0
96.70654	0.8
96.96941	1.2
97.02908	1.4
99.00865	8.2
101.02412	1.1
111.00899	1.4
129.01950	10.5
141.02039	1.4
152.99603	22.4
159.02980	4.6
163.11343	1.0
167.20270	1.0
177.04059	51.7
177.05595	2.0
188.55632	0.9
191.04086	1.1
216.36230	1.0
255.23326	76.6
256.23508	1.3
264.26593	0.9
269.24838	5.3
279.23416	1.2
433.28128	100.0
434.28177	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	434.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50129	0.3
61.98838	100.0
66.16769	0.5
73.16096	0.4
145.03630	0.4
185.56616	0.4
267.27185	0.5
325.31552	0.5
371.31735	5.1
376.91318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1299
Annotation	Pterosupin
Peak:m/z	Relative Intensity
51.90175	0.5
57.03466	0.8
59.01377	2.5
61.84441	0.5
69.03472	0.5
71.01382	1.2
73.02937	0.6
79.05547	1.2
81.03456	0.5
81.66302	0.5
83.01366	0.6
93.03453	9.9
95.01354	1.1
99.04491	2.2
107.05013	3.5
108.61159	0.6
109.02942	6.5
116.45769	0.6
119.05009	3.7
121.02966	4.4
122.03720	5.7
123.04516	27.5
131.04913	0.8
131.29388	0.6
133.02931	1.2
134.03734	4.9
135.04526	31.4
135.05573	1.0
136.01654	0.6
136.05301	6.6
137.02431	2.9
137.06107	6.7
145.02966	0.7
147.04457	4.3
148.01685	14.5
148.05293	0.7
149.02425	5.9
149.06065	2.8
150.03229	4.8
151.04004	16.3
159.04555	0.7
161.02437	13.2
162.03233	35.9
163.04012	45.9
164.04839	0.6
164.07248	1.1
165.01929	0.9
165.05577	3.2
166.02695	1.1
167.03510	3.3
174.03220	2.4
175.03978	3.9
176.04773	0.7
177.05617	2.3
179.03514	3.5
181.05061	3.8
189.01915	6.2
190.02737	33.6
191.03534	32.1
192.04384	1.2
193.05070	3.4
194.02112	0.7
202.02757	1.1
203.03461	5.1
204.04239	0.7
205.05206	0.8
207.02917	1.0
208.03799	0.8
209.02585	0.8
209.04581	21.9
220.03796	20.4
221.04588	18.9
227.07149	0.8
232.03786	1.2
239.05632	7.6
241.08763	2.6
243.06612	1.2
243.10262	2.6
251.07208	0.8
255.06570	1.4
255.10167	1.0
269.08139	3.9
271.09738	2.9
273.07806	1.0
279.06555	0.6
281.08109	1.0
283.09726	2.3
297.07712	18.2
299.09372	4.3
309.07639	1.3
315.08798	100.0
316.09137	2.0
327.08765	8.1
339.08725	0.9
344.22662	0.7
345.09833	39.4
357.09866	3.0
399.10727	1.1
417.11932	3.7
435.13046	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	435.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24676	0.7
57.03463	8.9
59.01385	19.1
61.97873	1.3
61.98843	7.4
61.99101	0.8
64.34570	0.9
71.01366	5.6
73.02938	2.3
78.82977	0.9
78.90830	0.9
83.01386	1.0
83.64823	0.9
85.02937	4.6
85.04087	1.0
89.02422	1.9
91.05525	1.8
93.03444	9.1
95.01362	4.3
96.96009	20.4
99.04507	2.1
99.62462	1.0
101.02421	3.9
105.03468	10.1
107.05031	1.2
109.02948	6.9
119.05024	1.7
121.02935	5.5
122.03767	7.3
123.00879	1.1
123.04513	31.2
125.02412	2.1
128.03577	1.4
133.02977	19.6
135.04524	16.7
137.02437	1.7
145.02924	1.1
147.04482	1.2
148.01665	1.3
149.02425	8.7
150.03217	5.8
151.04039	8.4
161.02461	4.5
162.03120	3.0
163.04021	15.5
163.05266	1.5
164.07190	1.7
167.03485	6.2
175.03992	6.0
177.01988	1.7
180.06691	1.3
182.02187	1.2
185.06079	2.0
185.38934	1.2
189.01974	1.3
190.02670	1.2
191.03545	1.9
195.03014	1.4
203.03511	4.2
204.04347	1.1
208.03815	1.5
209.04544	1.2
213.09235	1.7
225.05559	4.6
225.09184	1.7
236.03271	1.4
239.07118	7.5
243.06606	11.1
251.07214	1.5
253.05124	2.4
254.05893	5.0
255.06688	8.2
257.08182	20.8
257.27026	1.1
267.06656	4.9
269.08203	30.7
279.06601	1.9
281.08292	1.7
285.07721	81.3
297.07703	73.2
297.11111	2.3
299.09201	1.8
309.07733	11.5
311.09357	1.1
315.08813	100.0
327.08826	26.3
339.09167	1.5
345.09891	22.4
354.79694	1.1
357.09320	1.2
387.10931	1.3
417.11926	5.2
435.13242	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	435.1301
Annotation	Pterosupin
Peak:m/z	Relative Intensity
50.15300	0.5
50.98610	0.6
52.69600	0.5
57.03468	0.6
58.67803	0.5
59.01384	4.0
61.98821	0.5
68.99814	0.7
69.03451	1.0
71.01374	1.1
73.02928	0.5
76.58240	0.5
80.02675	0.5
81.03456	15.0
83.01385	6.1
85.02958	0.7
88.54816	0.5
92.12299	1.0
93.03451	7.3
95.01366	0.7
95.05016	15.2
97.02939	6.6
99.04520	6.4
101.02394	0.5
107.01400	0.9
107.05010	1.0
108.02161	0.5
109.02957	0.8
111.04494	0.9
113.02444	1.0
113.45731	0.6
119.05032	12.6
121.02968	2.6
121.06573	0.8
122.03703	0.9
123.04515	22.3
125.02441	26.3
135.04524	3.2
137.02426	4.0
137.06076	17.6
139.04016	4.7
147.04562	2.4
149.06102	1.0
151.04070	0.7
155.03558	1.0
163.00389	0.7
165.01938	0.7
165.05579	8.8
167.03491	60.7
179.03506	12.0
181.05061	3.2
187.07576	0.7
189.05556	6.6
191.03464	1.1
193.05058	2.6
197.04532	3.7
206.02339	0.8
207.02898	0.8
209.04572	17.4
221.04581	2.6
229.08617	0.8
231.06694	0.9
273.05145	0.6
273.07773	8.1
285.07672	1.2
315.08795	100.0
316.09064	2.3
327.08664	1.4
345.09851	24.6
345.14075	1.0
357.09573	0.6
417.12097	2.3
435.13129	3.2
435.22318	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92233	0.3
55.01884	0.7
57.03456	3.5
58.00591	0.8
59.01383	65.6
61.98808	0.4
71.00987	0.8
71.01375	21.5
72.99300	0.7
73.02939	30.9
75.00873	0.6
83.01371	5.4
84.02119	0.5
85.02939	4.9
87.00872	1.6
89.02430	5.4
97.02907	0.5
99.00833	0.6
99.04488	2.4
99.05113	0.5
101.02419	22.4
107.98943	0.4
108.72389	0.5
113.02419	6.1
119.03477	1.0
119.40778	0.4
125.02442	0.7
131.03450	0.6
139.11290	0.8
141.12842	42.1
143.03554	0.5
155.14378	0.8
157.61438	0.5
161.04535	1.6
162.95012	0.5
169.12315	9.1
171.13867	2.4
183.13861	3.8
187.13388	60.8
188.13667	0.6
229.14401	2.2
291.18146	0.6
349.18698	12.1
391.19769	100.0
392.20062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26175	0.4
55.01896	2.3
57.03463	100.0
59.01392	67.0
59.01638	0.6
59.01822	0.8
61.15567	0.4
61.98838	2.4
71.01388	19.4
73.02942	7.8
81.03457	1.3
83.01393	5.6
85.02960	10.8
87.00850	0.6
89.02441	1.3
95.01382	1.0
99.00877	2.7
99.04510	54.1
101.01763	1.1
101.02434	33.5
113.02456	8.5
125.02431	17.2
125.03331	0.6
143.03482	2.0
159.03014	0.9
161.04558	4.3
176.33136	0.5
245.34734	0.6
274.02609	0.5
291.18155	25.7
333.19247	0.9
435.22440	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	435.2521
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
56.67245	0.2
58.02991	0.4
59.01388	0.9
60.86148	0.2
64.44039	0.2
64.49426	0.2
66.44353	0.2
74.60995	0.2
78.01137	0.2
78.95901	71.3
88.84592	0.2
92.12402	0.2
92.81869	0.2
94.99422	0.2
96.96957	6.8
131.08249	0.4
150.98019	1.7
152.99593	100.0
171.00610	2.4
173.09341	1.5
173.44354	0.2
240.59285	0.2
270.44693	0.2
281.24905	2.3
394.68179	0.3
435.25272	16.0
435.32086	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	436.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43394	0.2
54.13474	0.2
59.01392	1.3
61.98838	100.0
65.83073	0.2
70.59898	0.2
79.43400	0.2
81.03463	0.2
83.01394	0.3
85.02955	0.7
99.04517	3.2
111.00907	1.1
121.02959	2.6
127.04037	0.7
133.06627	0.4
161.06152	0.4
171.03011	0.2
189.05542	0.6
199.47096	0.2
251.18524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83589	0.6
56.74129	0.6
59.01381	3.6
61.98833	4.1
78.95904	28.0
116.86423	0.7
117.73045	0.9
122.00164	1.0
130.77341	0.8
132.90039	0.7
135.11826	0.8
139.23851	0.8
140.01204	8.7
152.99570	4.1
185.09811	0.7
196.03831	11.2
214.04906	1.3
239.20190	100.0
240.20319	1.2
397.39340	0.9
436.24750	29.8
437.24918	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53040	1.1
55.01890	9.4
57.03453	10.5
57.26715	1.6
59.01391	35.0
59.72775	1.2
70.72615	1.0
71.01374	4.7
71.05025	2.1
72.99288	4.8
75.00848	1.5
81.03464	18.6
82.95441	2.0
83.01398	28.7
84.02167	6.0
85.02956	58.8
89.93122	1.1
95.58045	1.3
97.02922	1.1
99.04521	100.0
111.00889	53.7
117.71617	1.2
121.02955	78.1
127.04005	49.6
129.01929	14.2
131.05023	2.6
133.02979	1.5
133.06604	15.9
143.04999	1.6
158.16602	1.5
161.06082	14.5
167.07140	1.7
171.02980	7.6
189.05571	12.5
215.01961	1.8
233.04462	1.8
251.05580	6.0
329.67822	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	437.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	8.2
57.03460	8.5
59.01104	0.8
59.01390	20.4
60.99304	0.7
61.07300	0.5
61.98837	4.9
67.01891	0.4
68.99806	0.5
69.03468	1.1
71.01384	2.9
71.05031	1.0
72.99313	4.2
73.02949	0.9
75.00872	0.5
81.03462	13.2
82.96106	0.5
83.00922	0.9
83.01396	20.0
83.05053	0.5
84.02173	3.0
85.02956	29.5
88.98822	2.3
91.30978	0.5
97.02959	2.0
99.00871	0.5
99.04516	100.0
100.04835	0.5
101.02399	0.5
103.45315	0.5
104.72913	0.5
106.31548	0.5
109.02938	0.7
110.51153	0.5
111.00881	38.4
113.02473	0.6
115.05550	2.4
121.02946	73.4
125.02454	1.9
127.03999	26.2
128.04340	0.6
129.01933	13.2
131.05019	7.7
133.02957	2.8
133.06587	24.5
135.04553	0.7
139.07591	0.5
141.40411	0.5
143.04994	2.0
159.04524	2.8
161.06081	17.1
167.07195	0.5
171.02992	9.0
176.11040	0.5
179.47211	0.6
189.05588	23.5
197.00861	0.7
198.81160	0.5
215.01981	4.3
229.07283	0.5
233.04651	2.1
251.05603	4.4
269.04614	2.9
293.06747	2.0
367.13687	0.5
385.05258	0.5
464.56778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29141	0.6
59.01381	8.3
61.05762	0.8
61.98835	2.0
71.01383	1.3
72.00900	6.0
74.02476	20.2
80.27831	0.7
85.02955	1.0
86.02471	6.8
96.95995	1.3
101.02431	1.3
106.52267	0.8
116.05056	14.8
126.28902	0.9
128.03554	1.3
128.05074	5.3
129.05791	9.2
130.06610	16.5
142.06627	15.2
144.08182	11.4
146.06119	35.1
154.06636	3.4
155.06186	1.1
157.06175	1.0
158.06053	2.9
159.09229	1.6
161.04774	1.3
171.09280	77.1
171.45760	0.7
171.74802	0.8
172.07675	1.1
189.06924	1.1
203.08299	9.8
215.08279	46.4
233.09331	100.0
307.17715	3.4
437.17722	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	437.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59414	0.3
56.26962	0.3
57.03473	0.5
57.25560	0.3
59.01390	3.4
59.09572	0.3
71.01395	13.7
71.05030	16.2
72.00916	0.3
72.99311	0.4
85.02966	6.0
88.04047	100.0
89.04388	0.7
89.52659	0.4
92.88507	0.4
96.96009	2.9
99.04523	4.7
116.03531	0.8
116.06492	0.4
116.07173	3.6
116.92839	2.1
119.04999	0.8
121.76482	0.3
122.42611	0.4
129.05603	0.9
146.08241	55.8
146.79007	0.4
147.03033	0.7
147.08574	0.4
191.02032	1.8
213.00201	0.5
218.10365	98.7
219.10686	1.5
400.02783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2677
Annotation	1-Stearoyl-sn-glycero-3-phosphate
Peak:m/z	Relative Intensity
61.98833	0.8
64.54504	0.5
65.99253	0.5
72.13645	0.6
78.95905	84.7
83.81533	0.6
90.63896	0.5
92.11800	1.0
96.96954	7.2
107.20573	0.6
122.66948	0.5
122.67929	0.7
150.97995	1.2
152.99593	100.0
156.63168	0.6
163.11272	0.8
164.62079	0.6
171.00673	1.3
283.26447	2.0
377.80710	0.6
398.25122	0.5
437.26767	19.9
437.32797	0.8
438.26697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35349	0.9
53.42805	1.0
57.03446	1.9
58.19124	1.0
59.01380	6.6
71.05025	11.0
76.39977	1.0
85.06591	1.8
92.11783	2.9
105.90099	1.2
119.17900	1.1
124.50672	1.1
131.62753	1.2
201.02039	1.1
205.16090	2.1
219.17662	1.3
262.60437	1.3
267.26923	9.2
281.28552	16.4
309.31650	16.8
337.31036	2.0
343.27768	1.4
355.32217	100.0
368.48492	1.6
417.15005	1.4
437.32608	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	438.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31807	0.2
61.98816	0.5
78.95901	17.4
112.23556	0.3
122.00108	1.3
140.01181	5.4
152.99579	2.1
196.03825	7.9
202.69687	0.4
214.04871	1.8
221.43086	0.3
241.21750	100.0
242.22076	1.8
275.37927	0.4
324.18491	0.3
438.26318	23.9
439.26642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
71.97493	0.2
73.66358	0.2
75.79316	0.2
78.95901	47.0
83.79344	0.2
92.11722	0.5
96.96037	12.2
96.96954	100.0
143.04665	0.3
147.34428	0.2
178.47276	0.2
185.05469	0.2
388.10974	0.2
439.08670	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	439.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96003	0.6
55.38505	0.7
55.49442	0.5
57.03462	5.9
59.01385	4.4
71.05004	0.6
81.03451	6.1
83.01390	3.4
84.02206	1.5
85.02950	23.4
89.06730	0.7
89.36758	0.7
91.05535	1.2
92.12331	1.4
93.03471	0.7
96.95993	1.3
99.04501	7.9
104.78316	0.7
107.73831	0.7
110.70120	0.7
111.00887	1.1
119.05006	0.8
121.02948	18.3
127.04018	16.5
129.01959	4.8
132.02148	1.5
135.04544	1.4
147.04492	6.5
149.02449	100.0
152.01094	0.8
163.04018	1.6
164.04796	53.3
165.01822	0.9
169.63437	0.7
171.03015	2.7
179.07097	4.9
190.02780	0.9
193.01454	6.6
208.03787	12.4
223.06140	71.0
226.26125	0.7
259.92889	0.8
304.73978	0.8
357.31339	0.8
359.44055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49042	0.5
54.82275	0.4
55.01891	1.1
57.03462	9.8
59.01391	66.9
69.03457	1.0
71.01382	17.2
73.02956	4.4
78.95926	0.7
83.01380	2.7
85.02953	8.6
87.00861	2.2
89.02436	8.4
95.01379	0.9
96.96001	42.7
96.96970	3.0
97.02926	0.5
99.00813	1.3
99.04527	4.8
101.02431	14.3
101.05990	0.6
107.05051	0.7
109.06624	0.7
113.02429	6.9
117.26200	0.6
119.03505	3.3
119.05022	0.9
121.06580	2.5
123.04505	2.7
125.02443	2.7
129.99634	0.6
131.03555	0.9
133.08643	0.5
145.06593	3.9
153.05539	4.3
161.04553	4.8
161.09686	2.9
163.07651	4.0
179.10786	1.3
187.76262	0.5
188.62196	0.5
219.72859	0.6
265.26740	0.8
277.12958	1.5
280.88702	0.6
295.14008	5.6
298.55124	0.7
403.16104	100.0
404.16510	2.2
439.18262	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	439.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95909	1.0
57.03464	79.9
59.01394	100.0
69.17049	1.3
69.61433	1.1
71.00993	1.3
71.01387	38.0
73.02943	13.1
82.89680	1.2
83.01377	5.8
83.13017	1.2
83.21949	1.2
85.02951	14.4
87.00869	2.2
89.02438	32.4
95.01374	1.6
96.96007	31.6
99.00850	2.6
99.04522	44.3
100.60950	1.2
101.02439	43.9
101.06075	2.2
105.25222	1.3
113.02441	21.3
119.03490	11.3
125.02446	28.0
132.26624	1.2
133.08667	8.8
139.50310	1.4
143.03456	4.6
159.02983	1.8
161.04553	10.9
169.35811	1.3
179.05557	1.6
277.12921	11.8
295.14008	47.4
337.15137	13.7
377.18298	2.0
395.18958	2.0
403.15833	2.3
439.18164	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	439.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41093	13.3
56.59391	13.0
58.72480	11.1
59.01379	57.8
61.98825	16.2
64.16991	11.3
83.46216	13.3
96.96004	100.0
108.84601	14.0
117.89426	13.4
118.84456	13.7
132.46530	14.9
231.84331	15.8
371.05844	13.3
404.08136	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	441.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	5.3
57.03461	24.1
59.01382	2.6
64.51350	0.5
71.01368	2.7
72.99306	1.2
73.02937	1.3
82.47508	0.6
83.01377	6.7
84.02146	1.3
84.88510	0.6
85.02953	100.0
87.00871	1.1
91.01871	1.0
99.03872	1.2
99.04514	38.3
99.08141	1.1
101.02438	1.2
108.02160	3.5
109.02930	0.9
111.00890	13.7
113.06065	0.7
120.38041	0.6
123.00839	0.9
123.04502	8.6
125.02526	0.6
127.07610	0.9
128.07932	0.6
129.01945	30.9
129.05592	5.2
134.03664	1.9
139.07634	1.3
145.01352	0.6
147.03003	7.8
152.01201	3.7
164.04773	0.7
166.02719	0.7
167.03494	14.5
167.07124	2.3
173.00925	7.8
178.02744	2.3
189.07668	5.5
190.08034	1.1
191.01984	3.6
192.04204	0.9
193.05084	2.7
207.06598	0.9
229.07172	2.3
235.06180	4.2
273.06158	5.7
291.07300	7.1
297.06134	4.7
303.18271	0.6
341.05069	1.1
370.00970	0.6
402.57373	0.6
441.10229	0.8
460.22046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82307	0.4
55.01884	5.2
57.03456	28.6
59.01388	4.6
67.60491	0.4
71.01365	3.1
72.99293	1.0
73.02943	0.5
83.01380	5.4
83.05054	0.6
84.02166	2.7
85.02948	100.0
87.00861	0.7
89.54459	0.5
91.01888	2.2
99.00883	0.5
99.04516	30.0
101.02409	1.1
108.02179	3.6
109.02973	2.6
109.06532	0.6
111.00887	13.2
115.00340	0.5
121.06594	0.9
121.74436	0.5
123.04511	9.4
124.01652	0.8
129.01935	39.3
137.09764	0.5
139.07654	0.7
147.03017	5.8
152.01163	5.4
156.81067	0.5
164.04884	0.5
167.03484	13.4
167.07176	2.8
169.97470	0.5
173.00905	5.4
191.01974	2.9
192.04433	0.8
193.05077	0.9
229.07246	3.0
235.06177	4.5
273.06168	3.6
291.07309	6.8
297.06229	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	441.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.3
57.03196	1.5
57.03458	27.4
59.01384	6.4
66.06085	0.7
71.01387	4.8
72.99300	1.3
73.02943	1.3
83.01386	6.2
84.02145	0.7
84.23092	0.6
85.02951	100.0
91.01887	1.1
96.96006	0.8
99.04516	36.6
99.08179	5.5
100.08532	1.0
101.02432	1.5
108.02168	1.4
109.02953	1.2
111.00866	11.7
123.04519	7.6
124.01627	0.6
125.02463	0.8
127.07660	6.2
128.08043	1.2
129.01939	29.7
129.05583	16.5
130.05898	3.7
147.03041	6.7
149.06166	0.8
152.01103	2.9
161.98801	0.7
166.02693	0.8
167.03485	13.3
167.07208	1.2
171.06593	0.8
173.00903	7.4
174.78598	0.7
189.07690	23.5
190.08031	6.9
191.01970	3.7
193.05109	2.9
229.07141	3.1
235.06126	2.5
273.06125	4.5
291.07205	7.0
297.06223	4.6
297.10306	1.0
300.26379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10894	0.6
55.01881	2.9
57.03444	4.1
57.64125	0.6
58.00600	1.6
59.01389	85.4
59.36156	0.6
59.56802	0.7
61.98832	0.7
71.01384	43.9
71.89175	0.6
72.99292	3.8
73.02929	2.7
82.28925	0.7
83.01381	3.1
85.02945	19.8
87.00858	1.6
89.02441	34.7
92.11736	2.2
95.01367	3.6
97.02950	2.7
99.00870	1.2
99.04497	0.8
101.02438	27.5
109.02939	3.9
110.14346	0.7
111.00868	0.9
112.63400	0.6
113.02447	15.1
119.03486	11.8
122.03719	1.3
123.04506	1.3
124.05288	1.0
129.01886	1.1
137.06061	3.2
139.07674	7.3
143.03461	0.9
149.06061	1.0
161.04553	2.5
163.11151	0.7
167.03441	1.0
179.05612	1.3
187.11380	1.3
205.12367	8.4
217.12360	3.8
235.13417	3.1
294.28696	0.6
330.13220	12.4
331.13937	3.9
397.18686	8.5
441.17706	100.0
442.18118	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	441.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31434	1.6
57.88010	1.4
59.01394	27.9
60.94159	1.7
61.74958	1.9
66.36996	1.8
71.01373	7.5
72.99312	10.2
73.02941	3.7
75.00893	21.0
81.03474	4.4
99.00948	2.2
99.04520	9.1
131.85913	1.9
143.03525	8.8
151.30814	2.8
161.04533	17.7
229.08202	2.1
279.23325	100.0
441.28604	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	441.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82595	0.6
51.41736	0.4
54.82430	0.5
58.67453	0.4
59.01391	3.6
66.01261	0.5
71.01395	1.2
73.02941	2.9
75.00886	3.9
81.03455	4.2
84.11832	0.6
87.00852	1.2
88.04051	0.9
89.02438	8.1
99.00909	0.7
99.04530	4.7
105.68784	0.6
111.47737	0.6
143.03516	1.1
160.90063	0.6
161.04517	2.3
173.99536	0.5
179.05650	3.2
188.45776	0.6
261.22189	0.7
279.23306	100.0
280.23727	0.9
441.28848	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	441.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02616	0.2
58.80563	0.2
59.01398	0.6
61.98836	100.0
62.36194	0.3
68.47659	0.3
71.35571	0.3
79.95739	2.9
87.89614	0.3
94.98091	0.3
95.95219	0.4
96.96004	21.9
103.96429	0.3
122.97603	0.4
140.61488	0.3
173.64146	0.3
293.21222	1.1
355.67300	0.3
441.25333	24.9
442.25415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67245	0.3
54.82290	0.5
54.82531	0.3
58.56975	0.3
59.01387	2.4
61.98834	100.0
62.30043	0.4
63.47449	0.4
66.06141	0.4
70.43907	0.3
115.11724	0.4
161.92746	0.5
163.11314	1.5
217.16075	0.5
246.55766	0.4
279.23505	0.5
337.21902	3.7
378.30362	0.7
381.28046	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64603	1.4
55.01886	6.1
57.03454	36.2
59.01389	36.5
60.31773	1.3
61.98801	1.3
63.34530	1.2
71.01389	13.6
72.19300	1.5
72.99309	10.8
73.02951	5.5
75.00866	1.9
83.01392	11.7
84.02165	2.0
85.02948	100.0
87.00895	2.1
88.14175	1.2
89.02437	9.1
96.96024	1.7
99.00916	1.7
99.04497	1.9
101.02480	10.3
111.00875	17.9
113.02456	5.7
121.02953	33.6
127.03985	5.4
129.01932	41.7
131.05006	1.6
133.06584	5.3
135.04514	1.8
135.49332	1.4
140.74619	1.3
147.04539	31.2
161.05959	4.4
173.00896	10.1
179.49225	1.6
189.05548	6.0
207.49971	1.4
215.07263	2.0
251.05653	13.9
277.07111	5.1
299.18610	1.6
341.10791	2.8
383.12024	2.5
399.20355	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	443.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95667	0.9
52.00885	0.7
52.27448	0.8
54.31823	0.8
55.01887	7.7
57.03459	47.5
59.01389	17.5
71.01384	16.8
72.99321	10.1
73.02943	3.8
75.00861	3.6
81.03432	1.1
82.95426	1.3
83.01379	10.2
84.02140	1.3
85.02953	100.0
87.00877	4.3
88.04061	3.3
89.02428	4.2
95.01421	1.1
96.96027	1.5
97.06566	3.6
99.04534	4.1
101.02443	8.9
108.91840	1.1
109.06628	0.9
111.00890	19.9
113.02429	1.9
119.03458	1.1
120.90114	1.1
121.02963	36.3
129.01949	42.7
129.02898	1.9
131.05046	1.4
133.06595	7.8
135.04529	3.4
139.07686	1.3
143.07158	2.0
147.04538	32.5
147.05609	1.8
155.10794	1.3
159.04538	1.0
161.04720	1.1
161.06120	5.7
173.00940	11.3
183.10257	7.3
187.07697	1.9
189.05560	8.1
201.11363	2.2
215.07138	4.0
251.05617	20.5
263.16415	1.1
277.07181	6.4
281.17572	1.7
295.04578	1.1
299.18689	33.5
321.06219	1.3
341.10931	7.8
341.19757	1.5
383.12070	1.8
442.24667	1.7
443.23648	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	443.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07177	0.1
51.09964	0.1
52.33482	0.2
57.03457	1.0
59.01379	0.9
64.78015	0.1
65.00318	0.6
73.02940	0.2
75.98096	0.1
81.03456	4.9
83.01390	1.9
85.06599	1.0
86.30356	0.2
87.04520	0.4
92.12444	0.4
97.22996	0.2
101.02442	0.2
107.01390	0.7
108.02146	0.3
109.02939	0.2
109.06605	3.2
111.04517	4.2
122.03722	1.9
123.04518	0.2
123.08193	0.2
125.02440	7.4
128.33234	0.2
139.03972	0.3
149.02440	0.8
151.00371	1.5
151.07652	38.3
152.01160	0.4
152.08020	0.2
153.05562	0.3
174.47240	0.2
177.05563	1.3
191.07150	0.4
195.06636	100.0
196.06981	0.9
219.06717	0.2
237.07674	0.8
274.62357	0.2
323.10233	0.2
399.13074	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	443.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84945	0.2
57.03447	1.1
57.25317	0.2
59.01390	2.7
60.47082	0.2
61.46673	0.2
65.00327	0.2
67.01899	0.2
69.03447	0.4
71.01371	1.2
73.02930	0.2
73.66689	0.2
80.02665	0.2
80.51591	0.2
81.03449	6.0
82.28940	0.2
82.60808	0.2
83.01380	1.0
85.02915	0.3
85.06586	0.8
87.04500	1.0
88.04048	0.2
89.02453	0.2
93.03432	0.5
95.01390	0.2
95.05006	0.4
96.95979	0.3
97.02921	0.8
101.02419	0.5
107.01373	0.2
107.05032	0.3
109.02988	0.2
109.06581	3.7
111.03808	0.3
111.04520	5.7
113.02422	0.2
113.06084	0.3
115.92060	0.2
118.20460	0.2
119.03513	0.3
121.02933	0.3
122.03735	2.2
123.04489	1.0
123.08148	0.2
124.01611	0.3
125.02429	6.6
127.07684	0.3
137.02518	0.2
139.04005	0.8
149.02455	1.2
151.00394	1.2
151.07652	51.1
152.01163	1.0
152.07961	0.3
153.05580	0.4
161.06104	0.3
165.05576	0.9
167.03462	0.4
172.11969	0.2
175.00362	0.5
177.05597	0.9
179.03503	0.2
179.07127	1.7
191.07156	1.5
194.05812	0.3
195.06638	100.0
196.07033	0.3
201.05579	0.5
207.06615	1.4
208.07437	0.3
209.08237	3.3
219.06650	19.9
237.07681	8.4
249.07642	2.4
261.49475	0.2
323.09637	0.2
341.10944	0.9
356.27194	0.2
381.11972	0.4
383.11942	0.2
399.12994	12.0
442.24646	0.2
443.25827	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1924
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
53.42205	0.6
54.06577	0.6
55.01881	2.7
57.03461	5.1
58.00581	1.1
59.01387	60.3
61.34992	0.6
67.55092	0.6
71.00987	1.4
71.01381	34.9
72.99293	3.0
73.02955	6.0
76.57678	0.6
83.01408	4.9
83.05026	0.8
85.02953	14.7
87.00855	2.9
89.02442	24.8
92.73076	0.6
95.01362	3.6
95.76296	0.6
99.00885	1.2
101.02436	27.1
113.02438	12.7
116.99870	0.7
118.64674	0.8
119.03512	9.4
123.08161	0.8
123.64528	0.7
131.03502	1.0
148.26984	0.8
151.35602	0.7
154.72311	0.7
161.04544	1.3
179.05620	1.6
189.12865	1.6
223.61635	0.8
233.73489	0.7
323.27783	0.8
341.10947	9.8
352.37271	0.7
443.19287	100.0
444.19788	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	443.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31982	0.5
55.01886	2.2
55.15840	0.4
57.03448	2.4
59.01394	45.7
64.94251	0.5
71.01385	24.5
72.99303	1.0
73.02946	4.9
77.06149	0.4
83.01380	5.0
85.02952	11.2
87.00865	0.7
89.02438	14.8
95.01359	2.4
99.00893	1.1
101.02431	16.1
111.04501	0.7
113.02444	8.3
119.03484	5.1
123.08149	0.6
161.04471	0.8
171.11821	0.7
186.28726	0.5
189.12849	1.2
206.01212	0.6
237.14888	0.9
443.19260	100.0
444.19733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76071	0.4
55.01870	3.4
55.24934	0.5
57.03442	2.3
58.00593	0.8
59.01384	53.9
64.30163	0.4
71.01381	30.3
72.99290	2.3
73.02946	4.3
83.01395	5.2
84.16195	0.6
85.02948	12.1
87.00859	0.9
89.02438	21.6
92.11637	1.0
94.35764	0.5
94.36380	0.7
95.01352	3.0
99.00877	1.2
101.02436	20.5
105.05496	0.5
106.76276	0.5
111.04511	0.7
113.02436	11.2
119.03491	6.9
132.73416	0.6
139.07599	0.5
161.04558	0.5
189.12851	2.2
203.04942	0.5
292.61349	0.6
443.19275	100.0
444.19473	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	443.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03492	0.3
51.69117	0.3
57.03458	72.5
59.01388	16.7
59.01689	0.6
61.98837	0.4
63.86437	0.3
69.03466	3.1
71.01382	2.4
73.02949	0.6
80.02672	0.4
81.03462	4.1
83.05015	0.7
84.02209	0.5
85.02950	9.8
89.02467	0.8
89.22201	0.3
95.05035	2.1
96.95990	0.8
97.02951	3.4
97.06584	8.2
97.07168	0.6
99.04507	15.3
99.08160	2.2
101.02429	12.1
109.06595	0.7
111.08155	1.6
113.02432	0.6
116.36510	0.4
119.03480	0.5
119.08675	0.5
121.06566	0.5
123.08180	0.5
125.02465	1.6
125.06085	2.4
125.09760	0.5
127.07664	0.9
127.11304	1.4
129.01973	0.4
135.08134	0.7
137.09700	7.2
139.07678	0.6
139.11276	2.8
143.07132	27.3
147.08176	0.4
149.09727	3.6
151.11354	0.5
155.10794	2.2
157.08711	0.6
161.04636	0.6
165.09212	0.9
165.12866	0.6
181.08759	2.0
183.10248	14.1
193.08640	1.6
199.09695	0.5
201.11331	6.8
211.09746	1.8
219.17549	3.7
245.15471	0.4
263.16525	10.7
281.17596	16.8
299.18655	100.0
300.19077	2.3
341.10922	1.5
341.19717	13.2
352.61630	0.4
381.22903	5.4
383.11771	0.6
443.22919	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	443.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51741	0.6
51.58845	0.5
53.03741	0.6
55.01883	3.2
55.58191	0.5
57.03459	67.2
59.01114	0.8
59.01393	21.1
64.48296	0.5
69.03445	1.2
69.23125	0.6
69.85291	0.6
70.66711	0.5
71.01395	7.9
72.99312	4.3
73.02956	2.8
75.00850	1.6
78.35407	0.6
81.03473	2.4
82.95419	1.5
83.01395	4.7
83.05034	0.9
84.02172	0.9
85.02963	45.8
85.99570	0.6
86.03293	0.7
87.00899	1.3
88.04044	1.0
88.37479	0.6
89.02448	3.4
95.05044	1.4
96.96001	1.4
97.02943	0.7
97.06589	8.0
97.42760	0.6
99.04520	10.6
99.08147	2.8
101.02456	12.0
110.80209	0.6
111.00892	10.3
113.02451	1.4
116.23449	0.7
119.03497	0.7
121.02950	17.4
123.48168	0.7
125.02440	1.3
127.11304	1.3
129.01936	20.4
131.05002	0.8
133.06596	3.1
135.04507	1.2
135.08156	1.4
137.09711	3.3
139.07719	0.7
139.11298	3.7
143.07155	7.0
147.04546	10.9
148.04909	0.7
148.55095	0.7
149.09741	3.3
155.10744	4.7
161.04616	1.3
161.06073	2.8
163.36479	0.6
165.09152	1.1
165.12848	0.9
169.12219	0.8
173.00905	5.4
178.91191	0.7
181.08768	0.9
183.10269	24.2
187.07460	0.9
189.05594	1.3
193.08777	1.4
199.09744	0.8
201.11346	13.0
211.09862	1.0
219.17574	4.2
251.05618	7.1
263.16528	9.4
277.07224	2.8
281.17575	11.3
295.04736	1.0
299.18661	100.0
323.09961	1.2
341.10825	3.0
341.19730	12.1
359.90875	0.7
381.22766	3.1
383.12131	2.5
390.28406	0.9
413.94931	0.7
440.50436	0.7
443.23029	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	443.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.4
74.99047	0.4
84.01619	0.4
93.00147	1.1
95.64233	0.3
101.24329	0.3
102.47166	0.3
116.28418	0.3
158.87837	0.4
159.08476	5.2
161.06409	1.5
184.66905	0.3
217.05338	0.3
217.07274	1.7
261.04504	0.3
275.06042	0.4
277.04639	0.5
277.07468	3.6
293.06952	0.3
343.12350	0.5
345.13907	0.8
357.13821	3.9
359.15381	100.0
360.15430	1.7
377.16193	1.3
425.20206	1.4
427.21613	49.6
428.21811	0.6
443.24887	9.8
463.61053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76728	0.3
53.86696	0.3
57.03451	0.4
59.01385	100.0
60.01709	0.4
60.50825	0.3
61.98829	0.5
71.01382	1.9
74.49767	0.3
75.70234	0.4
84.09296	0.4
85.02959	0.4
89.02445	2.4
91.04003	3.6
92.11684	1.1
101.02452	0.9
113.02459	0.5
127.99268	0.4
141.48055	0.3
161.04660	0.4
195.13966	2.3
221.15564	1.6
236.89465	0.4
258.88947	0.4
258.95059	0.4
291.19672	5.9
309.20749	25.4
310.21017	0.4
323.09732	0.6
341.11032	2.4
383.12134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1144
Annotation	Baicalein 6-methyl ether 7-glucoside
Peak:m/z	Relative Intensity
59.01154	0.4
59.01385	7.3
65.99319	0.5
68.16396	0.4
71.01379	0.8
82.95398	0.5
86.84196	0.4
89.02452	0.7
96.96010	1.8
101.02434	0.8
113.32732	0.6
121.02936	0.5
121.57351	0.5
123.00865	3.2
132.02164	2.8
143.05008	1.1
147.00896	0.5
155.05023	4.5
159.25716	0.5
167.05013	2.6
182.03822	0.9
183.04504	11.2
193.01350	0.6
195.04517	10.5
197.02467	0.6
203.55869	0.6
208.03792	0.6
210.03267	0.9
211.04047	24.0
223.04022	8.5
223.06157	2.1
238.02809	2.3
239.03513	74.4
240.04234	7.2
266.02292	1.0
267.03012	28.7
268.03775	8.9
282.02194	0.8
282.05344	23.3
283.06091	7.1
402.09598	7.6
430.09061	56.0
445.11441	100.0
446.11804	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16375	0.3
59.01392	84.8
65.60246	0.3
68.01913	0.3
71.01391	2.9
73.02954	0.3
75.00878	3.3
76.13892	0.3
87.00931	0.3
88.94167	0.3
89.02438	10.8
101.02441	1.4
103.00372	100.0
104.03515	0.4
113.02470	0.7
161.04565	0.4
163.42107	0.4
179.05664	1.1
245.24527	0.3
295.37967	0.4
304.06647	0.4
341.10770	3.5
342.11319	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94720	1.3
51.87770	1.3
53.38244	1.3
54.16249	1.5
55.01871	1.4
57.03457	100.0
59.01115	2.7
59.01386	52.0
61.98811	2.0
71.01105	1.4
71.01385	25.5
73.02942	11.9
79.47620	1.4
80.44738	1.6
81.03452	1.6
83.01407	2.0
85.02956	20.0
88.04021	2.1
88.74110	1.6
89.02435	4.0
95.01395	3.2
96.96013	3.5
99.04518	53.5
101.02451	25.8
109.02918	1.8
113.02456	10.7
121.02934	7.5
122.03713	3.4
123.00883	88.0
123.01783	3.3
123.04498	1.9
124.01661	40.6
125.02439	37.5
128.03525	4.2
129.01936	2.2
132.03178	1.9
136.40733	1.6
137.02435	2.9
137.06094	3.1
138.03232	68.1
139.04022	44.0
143.03493	2.6
149.02440	45.3
150.03143	2.2
151.04034	2.1
151.07661	3.0
152.01128	3.2
159.03052	2.5
161.04527	14.9
163.04027	3.9
164.04797	41.3
165.05557	11.4
178.14876	1.9
179.07066	13.9
181.05084	2.0
193.01398	4.0
193.05051	2.5
208.03760	16.1
223.06139	53.5
228.08736	2.3
243.32179	1.8
283.08179	28.4
301.09326	28.1
343.10422	12.3
385.11337	2.6
409.17331	3.9
445.17343	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	445.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97736	0.2
59.01387	100.0
59.84145	0.2
61.98849	0.4
62.96429	0.3
69.84905	0.2
70.25343	0.2
76.58254	0.2
78.95901	4.9
78.96324	0.3
103.13647	0.2
136.88654	0.2
141.43913	0.2
149.00089	8.6
152.59105	0.2
199.73456	0.2
205.15997	9.5
355.16833	29.1
385.17886	15.0
387.18066	0.2
416.05865	0.2
440.00629	0.2
445.19962	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99799	0.2
55.01900	0.2
57.03457	1.1
58.00598	0.4
58.27686	0.2
59.01397	100.0
62.44598	0.2
63.48562	0.2
69.10867	0.2
71.01390	17.1
72.99304	0.5
73.02935	1.1
83.01363	1.1
85.02953	3.7
87.00876	0.4
89.02448	23.7
92.72688	0.2
95.01377	1.3
97.02914	0.2
99.00873	0.2
101.01767	0.3
101.02439	8.4
113.02460	6.9
114.93759	0.3
118.13535	0.2
119.03496	8.9
125.02405	0.3
131.03497	1.0
136.05251	0.2
138.06871	1.1
138.52254	0.2
139.07582	0.3
143.03525	1.6
149.04552	1.0
151.07623	1.4
152.08456	1.5
153.09225	4.9
159.03065	0.3
161.04562	3.7
163.11307	0.2
179.05618	12.4
205.12357	1.8
223.13396	2.0
329.55972	0.3
385.18741	4.6
445.20697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2363
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
54.82926	0.3
59.01363	1.6
64.29594	0.3
66.21259	0.3
69.62420	0.3
74.78801	0.3
78.95897	17.8
82.00011	0.3
82.94530	0.3
92.11656	1.0
92.57119	0.3
95.45007	0.3
96.29305	0.3
100.01585	0.4
110.98525	13.3
127.07616	0.3
137.00067	0.4
163.41670	0.4
167.01146	10.4
185.02237	2.6
212.58099	0.4
259.20776	0.6
277.21735	100.0
278.21994	1.8
408.32535	0.4
445.23700	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	445.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57241	0.5
54.70287	0.6
57.03456	69.9
59.01384	17.4
61.98826	3.7
62.98437	0.6
71.01378	1.5
73.55903	0.6
74.27316	0.6
81.03445	4.0
84.30345	0.7
85.02949	0.8
85.68345	0.6
97.06594	7.1
99.04511	11.0
99.08153	6.4
101.02432	9.8
109.06625	0.7
113.09763	1.1
125.02452	1.3
127.11279	3.0
135.08167	0.7
137.09760	0.8
139.11317	6.0
143.07137	6.8
152.55110	0.6
155.10782	5.1
165.09227	1.8
181.08678	1.0
183.10249	27.0
201.11340	13.2
265.18127	12.7
269.04553	1.3
270.04965	0.9
283.19177	19.6
301.20230	100.0
302.20795	1.1
304.62503	0.8
343.21329	15.2
383.24445	4.5
432.75204	0.7
445.24481	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	445.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64024	0.6
59.01390	100.0
72.41658	0.6
92.11795	1.6
283.26498	4.9
353.53195	0.8
358.13940	0.8
434.83447	1.2
461.88174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62519	0.2
54.82929	0.3
59.01372	2.0
76.58072	0.3
83.01376	0.3
85.02947	0.6
85.77210	0.3
93.03435	0.6
107.01366	1.4
120.04389	0.3
125.02401	0.4
132.02130	0.5
135.00882	0.5
140.13525	0.3
140.14613	0.3
151.00346	1.8
163.00323	0.3
177.07204	0.3
183.04480	1.8
185.06146	0.6
187.04086	0.6
197.11882	0.5
199.03993	0.5
211.04015	3.1
212.04884	0.4
227.03508	87.2
229.05115	3.1
249.06094	0.5
255.02991	100.0
256.03714	8.0
257.04556	2.0
284.03268	74.6
285.04056	24.3
285.65256	0.4
327.05093	0.5
447.09354	75.7
447.19156	2.1
448.09634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0937
Annotation	Astragalin
Peak:m/z	Relative Intensity
54.35110	0.4
57.03447	0.7
59.01151	0.4
59.01387	7.8
62.14682	0.4
63.02386	1.4
65.00315	2.6
74.32298	0.4
75.00864	0.5
75.95066	0.4
82.95411	2.1
83.01376	3.3
84.95113	7.1
85.02964	0.7
87.92320	0.4
92.12428	0.7
93.03441	0.7
107.01386	6.5
115.67682	0.4
121.02941	0.5
125.02482	0.5
135.00859	0.5
151.00365	15.5
153.01915	0.9
159.04504	0.5
163.00330	0.7
169.01447	2.6
171.04512	0.5
173.91025	0.4
183.04463	2.0
185.06073	0.6
187.04005	0.5
197.06056	0.4
211.03996	1.8
227.03513	84.0
228.03963	0.6
229.05101	2.9
239.03499	0.8
255.02994	100.0
256.03720	7.9
257.04575	2.1
284.03281	67.8
285.04047	21.8
286.58334	0.5
355.06683	6.3
373.07843	0.9
447.09369	82.6
448.09735	0.8
474.01886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01377	2.9
62.18258	0.3
63.97535	0.3
67.72440	0.4
71.01389	6.0
73.02953	2.9
74.56836	0.3
74.57268	0.3
79.02658	0.3
83.01398	0.6
85.02966	3.9
89.02444	0.8
91.11418	0.4
95.01385	1.4
99.00864	2.2
101.02441	3.4
108.02171	57.5
109.02960	17.8
113.02431	1.9
123.00855	0.5
123.04432	0.3
151.03970	0.8
152.01146	100.0
153.01982	3.5
161.04567	1.7
163.03999	2.8
179.03474	0.6
315.07199	0.8
447.11444	71.5
448.11792	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	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28679	0.2
55.35110	0.2
58.65631	0.2
59.01384	0.2
62.96395	1.4
74.55734	0.2
78.95895	47.1
86.48328	0.3
89.05944	0.3
92.12389	0.5
92.32507	0.2
96.96942	3.5
100.77896	0.2
137.06337	0.3
149.00081	26.6
152.99565	1.2
158.92545	2.1
179.01125	3.2
205.15948	2.0
219.34270	0.3
256.15106	0.3
300.53152	0.3
403.92706	0.3
417.12451	0.6
431.10440	4.0
447.13452	100.0
448.13568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71131	7.2
59.01393	100.0
61.98874	8.7
71.01380	16.9
75.00876	7.4
75.89082	8.4
76.05389	7.7
82.03030	9.2
96.96041	16.1
101.02476	11.0
105.48634	8.7
148.05313	14.4
163.07645	15.6
179.17960	9.9
179.31528	9.7
183.00801	9.3
279.23175	13.2
299.22269	65.0
357.86438	9.7
385.45914	10.1
399.27582	10.0
447.17645	13.9
447.26102	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	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67958	0.1
55.72915	0.1
58.00644	0.2
59.01386	100.0
60.01721	0.3
60.75767	0.2
64.45624	0.2
67.32684	0.2
71.01379	6.8
72.99296	0.2
75.93138	0.1
82.95414	0.2
85.02966	1.0
87.00848	0.2
89.02438	11.3
95.01386	0.3
101.02432	3.0
113.02458	2.6
119.03497	3.9
143.03528	0.7
149.04617	0.2
161.04636	0.9
179.05620	4.5
199.66733	0.2
216.51459	0.2
447.22180	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.3
57.03432	0.2
58.00607	0.2
59.01388	100.0
67.40540	0.2
71.01384	6.8
72.99301	0.5
73.02949	0.2
82.95440	0.3
85.02946	2.0
87.00859	0.3
89.02441	11.1
92.12424	0.4
101.02441	4.1
113.02432	3.1
119.03496	4.4
119.05004	0.3
128.84172	0.2
131.03542	0.3
143.03552	0.6
153.02118	0.2
161.04584	1.2
163.04109	0.3
173.53719	0.2
179.05615	4.5
179.07050	0.3
201.33174	0.2
224.27292	0.2
225.07750	1.0
235.35292	0.2
241.42441	0.3
358.44168	0.3
387.16965	0.3
447.22559	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	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.8
59.01385	100.0
60.01726	1.6
61.01816	0.6
61.98836	41.7
71.01384	8.1
73.02948	0.8
82.95387	0.4
83.01376	0.6
84.95109	0.5
85.02950	2.6
87.00864	0.6
89.02438	7.8
90.02835	0.3
92.12351	1.1
95.01429	0.5
96.96038	0.4
99.04508	0.8
101.02442	5.6
113.02438	3.3
119.03510	2.3
121.02940	2.7
123.08160	0.8
125.02481	0.5
127.97823	0.3
143.03523	0.6
153.09293	0.7
154.09628	0.4
159.03021	0.4
161.02522	0.5
161.04520	4.8
163.11369	1.3
166.55672	0.4
179.05663	2.2
180.92786	0.3
189.12932	2.2
197.04715	0.5
206.09151	0.4
207.13933	2.6
225.15074	0.5
265.12827	1.2
307.13913	0.4
334.30649	0.3
387.20270	3.1
409.17227	0.8
447.22812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82808	0.3
57.28540	0.3
74.08839	0.3
74.87474	0.3
75.27277	0.4
78.95914	8.8
110.98534	7.2
114.73353	0.4
118.43277	0.4
142.96846	0.4
167.01147	3.9
182.27457	0.4
185.02130	2.6
212.09956	0.4
241.95383	0.4
279.23297	100.0
280.23694	2.3
301.54749	0.4
432.34409	0.4
434.88760	0.4
447.25247	11.7
447.35162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37613	0.1
56.10864	0.1
58.09456	0.1
59.01386	0.6
61.98836	100.0
80.39214	0.1
92.11688	0.3
203.95027	0.1
243.75917	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	448.2131
Annotation	Hypognavine
Peak:m/z	Relative Intensity
55.19443	0.3
58.02989	0.8
59.01375	1.0
61.98829	0.5
62.06829	0.3
63.40935	0.3
66.03491	2.0
70.02959	0.5
71.01395	7.8
72.04579	0.5
82.02984	5.9
84.04530	0.9
85.04082	54.8
86.02479	3.2
87.05647	13.2
88.04046	9.5
97.04097	1.5
102.00168	0.5
109.04086	3.4
111.02006	2.2
112.02817	1.8
113.03584	3.9
113.09711	0.8
121.04104	0.6
123.05627	0.5
125.03739	0.4
127.05141	5.4
128.03535	90.7
128.60194	0.4
135.05655	8.6
150.06737	1.0
151.05205	0.4
152.08301	10.2
153.06705	5.1
157.06192	62.8
158.06622	0.7
159.07755	2.1
161.10052	14.6
170.96693	0.5
178.06232	10.9
179.04640	12.8
184.04950	5.3
185.05702	0.7
195.78664	0.4
196.07298	18.7
197.05690	1.9
214.08403	1.7
224.10403	2.2
242.11444	0.6
268.09436	9.8
286.10474	25.9
319.16995	2.6
340.16849	0.9
376.19226	0.6
430.20303	6.9
448.21280	100.0
449.21341	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	448.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.6
59.54502	0.3
61.98834	100.0
71.51624	0.4
75.26135	0.3
78.95917	0.5
82.40012	0.4
130.92561	0.4
131.60323	0.4
152.99580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42242	0.5
55.50265	0.5
57.03455	13.3
59.01374	1.1
62.39695	0.5
63.02381	0.6
64.33596	0.5
65.00316	4.3
68.50831	0.6
77.35345	0.6
81.03432	2.9
83.01377	7.7
84.96117	0.6
85.02934	0.7
93.03454	1.2
97.02949	1.3
103.30263	0.7
107.01391	6.9
107.04990	1.1
109.02926	0.9
112.83707	0.6
117.03439	1.4
121.02901	0.9
124.01628	1.5
125.02436	100.0
129.08511	0.6
133.02901	0.9
137.02425	0.7
139.04045	1.4
149.02441	9.0
151.00368	24.4
152.01123	3.9
153.01962	5.8
158.03769	0.7
165.01964	1.3
169.06653	1.0
172.05290	0.9
173.06050	4.5
177.05609	4.1
178.99841	12.9
179.03464	3.8
180.05914	0.8
197.06055	1.3
199.07698	0.8
201.05600	4.1
215.07141	5.4
225.05573	4.2
241.05046	2.9
243.06621	5.0
259.06140	60.8
269.04587	56.9
283.06195	1.1
287.05652	40.5
342.06509	0.9
353.49503	0.7
449.10944	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1501
Annotation	Suvorexant
Peak:m/z	Relative Intensity
51.32660	0.5
52.84615	0.5
54.97864	0.6
59.01382	3.9
59.34250	0.6
61.98823	0.8
62.54540	0.5
62.96093	1.0
62.96416	27.7
66.70867	0.6
68.47402	0.5
68.99824	3.5
70.82962	0.5
71.01391	1.3
71.14545	0.6
78.95907	70.1
79.11060	0.6
80.97472	40.4
89.02444	0.7
96.99337	0.8
98.76508	0.6
99.00870	10.4
99.04522	1.0
101.02366	0.8
149.00089	25.1
179.01183	1.2
205.15982	14.3
242.98245	4.1
285.12671	2.1
355.16797	27.1
385.17853	31.0
397.17059	0.7
448.22931	2.4
449.15021	100.0
450.15326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1502
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01369	1.9
61.98829	0.5
62.96413	26.3
66.80268	0.4
71.01374	0.9
77.05376	0.3
78.95900	63.7
79.58658	0.3
80.97463	33.4
85.02926	1.5
88.81516	0.3
88.95296	0.4
89.02399	0.6
92.12416	1.3
95.47643	0.3
96.96946	0.4
99.00820	0.4
101.02409	0.4
113.02412	0.5
149.00092	21.2
151.01703	0.4
152.99591	1.7
155.91887	0.3
169.44441	0.3
179.01106	2.6
205.15996	13.5
215.09215	0.4
242.98317	6.0
281.24881	0.7
285.12546	2.4
318.29767	0.4
355.16833	25.7
385.17874	29.7
397.22293	0.6
397.72742	1.3
398.22684	0.6
448.13916	2.4
448.23981	2.5
448.74100	4.4
449.14999	100.0
450.15097	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99387	69.1
51.03222	78.2
60.18947	73.0
70.84840	69.5
85.09364	75.5
94.12851	69.7
130.82823	81.4
137.06659	79.3
193.49217	87.4
204.12654	100.0
413.72629	91.7
447.35101	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19420	31.7
54.82954	40.3
57.81918	33.2
59.01355	51.5
59.95240	32.6
61.98822	83.1
65.73746	34.6
89.41505	42.9
108.97441	41.3
172.17323	41.6
204.99962	58.2
220.17018	40.5
243.80539	39.4
281.24780	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	449.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62452	35.4
52.41557	35.3
54.11841	37.2
59.01412	49.8
61.98844	100.0
71.26351	37.5
78.91899	85.8
78.95892	49.5
81.33298	37.3
82.94665	38.0
86.06071	34.8
100.79753	40.0
103.17949	35.4
132.10519	38.7
146.18263	48.7
152.99649	75.4
182.28275	41.2
189.53180	42.3
203.54967	40.2
281.24997	77.8
325.01010	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79542	0.7
54.33823	0.6
55.01896	0.7
57.03457	100.0
59.01387	87.4
61.98857	0.6
62.02602	0.7
69.89785	0.7
71.01380	12.1
72.99303	1.4
73.02940	1.2
75.08067	0.6
77.44836	0.7
79.12248	0.6
81.03464	1.6
83.01381	1.6
85.02949	3.5
85.04087	0.8
87.46398	0.6
89.02438	17.1
95.01379	0.9
99.04515	67.2
101.02438	24.0
105.27122	0.9
113.02458	6.1
119.03494	4.7
125.02434	34.4
128.03564	1.4
131.03508	1.0
143.03510	4.2
145.02957	1.3
157.06277	0.9
161.04565	1.6
162.00163	1.2
179.05637	1.7
274.08411	1.0
287.15216	0.7
305.16180	4.5
347.17120	4.4
353.89191	0.8
379.24316	0.7
413.14731	1.1
449.20334	4.6
458.71649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81017	0.4
55.01875	1.3
57.03454	100.0
59.01383	75.0
68.36496	0.6
70.28379	0.5
71.01380	21.5
71.05019	1.1
73.02940	7.8
76.38910	0.5
81.03431	1.0
83.01396	4.1
84.64120	0.6
85.02946	10.5
85.71725	0.5
87.00893	1.0
89.02415	5.5
89.91588	0.5
95.01362	2.5
97.02981	0.8
99.00887	1.3
99.04507	57.4
100.04849	0.7
101.02429	26.4
106.98502	0.5
108.02157	3.4
113.02434	11.0
119.03480	2.7
125.02437	19.4
131.03546	0.5
137.09698	0.6
143.03493	2.5
143.10771	3.5
152.01144	3.2
155.10802	0.6
159.03003	0.9
161.04573	5.8
167.03488	2.7
168.03801	0.9
305.13058	0.7
305.16147	16.8
319.75891	0.6
320.09586	0.7
347.17023	5.6
387.20541	0.9
413.14554	0.8
449.20370	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	449.2315
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
54.82950	1.3
78.95897	75.5
96.96018	1.8
96.96964	7.2
115.66331	1.0
115.69678	0.8
150.98022	1.2
152.99580	100.0
195.13963	1.1
201.01736	0.9
220.18636	0.9
274.77570	1.0
281.24850	2.2
318.29611	1.1
357.91425	1.0
386.86728	1.0
449.22971	26.5
449.28433	1.6
466.96753	1.1
469.89160	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82760	0.6
59.01382	7.5
60.13330	0.5
60.32694	0.5
61.98860	0.5
64.65962	0.5
67.40466	0.5
73.69883	0.6
78.95897	12.2
90.90800	0.6
110.98524	7.2
144.43423	0.7
152.99565	2.5
167.01201	6.6
170.57372	0.6
171.91447	0.6
185.02184	1.4
255.23306	3.3
281.24875	100.0
282.25153	0.9
297.24387	1.1
423.04385	0.7
449.26782	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	450.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02849	0.2
55.01879	0.2
56.52599	0.2
59.01389	19.4
61.85329	0.2
61.98839	100.0
71.01387	3.6
72.76972	0.2
72.99313	0.2
73.02956	0.3
83.01406	0.3
85.02979	1.3
89.02449	4.6
101.02425	2.7
113.02467	1.1
119.03523	1.5
149.85867	0.2
163.11339	1.5
207.10291	3.1
234.15921	0.2
329.32581	0.2
387.16653	40.7
388.17206	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42925	0.4
57.03452	2.5
59.01383	23.9
61.98833	100.0
62.48903	0.4
66.53195	0.3
71.01386	3.5
82.95423	0.6
85.02947	2.3
89.02433	5.7
96.95986	0.6
99.04521	1.0
101.01873	0.5
101.02381	3.4
113.02457	2.5
119.03506	2.3
120.23412	0.4
121.02902	0.5
124.20238	0.4
125.02431	0.7
148.38597	0.4
152.04819	2.1
160.08635	0.4
163.11287	9.7
167.07156	1.0
168.82739	0.5
185.09444	0.4
203.44461	0.4
224.91815	0.4
227.86345	0.4
241.07120	0.5
387.16629	42.3
388.17078	2.0
450.20645	1.0
451.22186	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96737	0.2
59.01136	0.5
59.01394	20.6
61.98844	100.0
70.14499	0.2
71.01389	3.7
71.45042	0.2
73.02953	0.3
84.55796	0.3
85.02970	1.4
89.02443	4.6
99.27551	0.3
101.02422	2.4
113.02480	1.5
117.41736	0.2
119.03488	2.0
123.93394	0.2
125.40578	0.2
163.11293	2.2
168.55185	0.3
207.10307	3.7
264.16437	0.3
360.26199	0.3
387.16656	43.8
388.17081	1.3
436.95773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.7
56.13573	0.5
57.03453	2.3
59.01387	11.7
69.03448	2.4
71.01376	4.6
71.06316	0.5
73.02943	2.7
75.94894	0.5
81.03479	0.7
81.21371	0.6
83.01373	2.4
85.02945	1.0
93.03454	11.3
95.01357	1.1
97.02940	2.3
101.02438	5.1
107.01390	1.0
108.02157	0.6
113.02486	2.1
123.00867	10.7
124.01657	26.9
125.02445	45.5
131.05121	0.5
137.02437	19.1
149.99588	44.5
151.00328	3.3
157.12370	0.8
167.03569	0.7
168.00644	73.9
169.01442	4.3
185.11913	0.6
196.37250	0.5
203.12962	3.1
239.05594	0.6
253.05237	0.7
268.95187	0.5
281.06689	3.8
313.05820	4.0
331.06808	12.8
347.17258	0.8
365.18082	4.5
407.19318	12.1
433.07538	1.3
438.36276	0.6
451.08902	100.0
452.09009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1251
Annotation	Coatline B
Peak:m/z	Relative Intensity
52.80528	1.7
55.01871	2.3
57.03454	13.1
59.01384	28.3
61.98833	14.1
67.01884	1.9
71.01373	10.6
72.00903	3.1
72.89451	1.9
73.02966	3.2
79.05499	2.4
79.34893	2.1
84.16510	2.1
85.02968	8.6
89.02460	2.9
90.23911	2.3
91.05589	2.0
93.03443	16.2
95.01404	3.3
96.96008	11.1
99.04504	9.5
100.93234	2.4
101.02444	10.9
107.05013	6.8
108.02187	5.0
109.02970	24.6
109.44099	1.9
113.02532	3.0
119.05022	8.2
121.02963	10.8
122.03732	10.9
123.04520	72.6
125.02441	15.6
128.03517	2.4
133.02921	3.0
134.03709	2.6
135.04529	20.4
137.02451	10.8
139.37645	2.5
147.04590	2.7
148.05345	4.1
149.02475	4.6
151.00414	15.3
151.04018	93.3
157.06558	7.9
163.04007	21.5
167.03488	2.9
169.01419	2.9
175.00400	2.4
179.03467	27.3
180.06697	17.3
181.05052	9.1
181.06483	6.2
182.07379	13.7
183.08107	10.7
185.06090	8.7
195.08173	8.9
196.09006	2.6
197.09709	14.4
226.06367	2.3
227.07158	81.3
235.07620	2.0
239.07095	8.1
241.08723	78.3
243.06671	8.6
253.08720	21.8
269.08231	78.2
269.10855	2.5
270.08627	3.9
271.08411	6.0
271.10895	2.4
281.08228	18.8
285.07764	4.6
299.09256	10.2
313.07187	9.6
317.51797	2.2
331.07047	16.0
389.13406	4.4
391.09073	3.8
433.11514	16.5
451.12570	100.0
452.12860	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	451.1247
Annotation	Coatline B
Peak:m/z	Relative Intensity
50.86375	0.6
53.52990	0.6
55.01869	1.5
59.01389	9.5
61.98838	16.1
62.63690	0.8
65.00306	1.0
65.03982	0.8
71.01360	3.5
79.05518	5.8
83.01411	1.3
85.02936	1.6
88.98796	1.3
91.05515	4.0
93.03443	16.6
95.01358	4.7
96.95992	3.8
98.02547	1.0
101.02437	3.4
106.40661	1.0
107.05033	10.2
108.02160	5.8
108.46651	1.0
109.02937	19.1
111.17987	0.8
119.04994	5.2
121.02934	9.0
122.03716	10.4
123.04510	80.9
125.02430	4.4
128.03444	0.9
133.02933	1.3
134.03734	2.1
135.04514	29.5
137.02425	11.5
138.11191	0.9
145.02924	1.1
147.04529	3.3
148.05319	8.2
149.02461	3.5
150.03278	1.5
151.00404	6.1
151.03996	99.9
152.04347	1.6
156.05768	1.1
156.34088	0.9
157.06544	2.1
163.04007	17.4
166.02776	1.4
175.03964	1.5
179.03505	28.0
180.06610	4.6
181.01465	5.3
181.05054	9.3
181.06349	9.8
182.07387	17.8
183.08119	4.9
185.06091	8.0
193.05083	1.0
195.08168	9.6
196.09016	2.1
197.09729	12.7
201.87947	0.8
203.08325	3.5
211.07591	2.1
223.02570	1.6
224.04839	1.1
225.09119	3.7
226.06302	1.5
227.07150	75.2
228.07458	1.0
239.07169	6.5
240.07799	1.2
241.08705	94.9
242.09105	1.9
243.06557	6.7
251.07109	5.6
253.08766	15.8
257.08151	1.5
267.06573	1.3
269.08200	87.6
271.06213	2.1
271.08292	9.1
281.08160	21.8
285.07675	8.9
299.09256	12.7
311.09247	1.1
313.07275	11.5
315.08694	1.8
331.08264	13.7
343.08237	4.1
357.09497	0.9
361.09439	1.3
380.75314	1.0
387.16547	1.1
388.16949	5.2
389.12714	3.8
405.11780	1.8
415.10330	1.5
433.11389	22.0
451.12491	100.0
451.22366	3.2
452.12860	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	451.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36607	0.4
54.97036	0.3
55.01876	2.1
57.03462	3.6
57.56777	0.3
58.00606	0.7
59.01385	44.3
61.55856	0.3
69.03437	0.4
71.01379	13.1
71.05003	0.3
72.99298	0.8
73.02938	6.1
82.99686	0.3
83.01378	3.8
85.02527	0.4
85.02957	6.7
86.00071	0.7
87.00866	1.6
89.02417	2.6
95.01368	1.6
97.02954	0.5
99.00865	1.9
99.04491	2.0
101.02431	11.7
103.54287	0.4
111.00884	0.4
113.02431	4.6
119.03457	0.6
124.01672	0.5
125.02440	2.7
127.11293	0.6
132.77225	0.4
139.11293	1.8
143.03572	0.5
147.91769	0.4
148.87340	0.4
155.10808	0.7
157.12323	7.7
159.03003	0.5
169.12410	0.4
185.11810	2.2
203.12907	11.7
223.04050	0.6
245.13989	0.9
252.04294	5.5
253.05161	0.7
319.17654	0.5
347.17102	8.5
365.18182	39.1
407.19254	100.0
408.19702	0.8
415.10318	4.1
451.08545	0.6
451.21576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03445	3.2
58.00581	0.7
59.01392	61.5
60.99320	0.7
61.98841	0.8
69.03448	1.1
71.00999	0.6
71.01394	26.6
72.99317	5.0
73.02956	37.2
81.03458	0.6
83.01403	8.1
85.02961	5.7
87.00888	1.0
88.98820	6.2
89.02449	9.0
95.01359	0.8
99.00909	0.8
99.04488	0.6
101.01766	1.0
101.02441	30.0
108.02206	0.6
113.02467	5.4
119.03485	1.4
125.02429	1.1
131.03485	1.1
133.33110	0.6
139.11292	11.5
141.12923	0.8
143.03557	0.8
157.12338	2.5
161.04506	1.3
167.10779	11.6
185.11841	33.4
203.12920	2.9
347.16876	0.9
364.11496	0.6
365.18240	12.5
377.10193	0.6
407.19260	100.0
408.19650	4.5
437.68637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
56.79747	0.9
57.03458	100.0
58.12973	0.9
59.01389	93.9
59.74537	1.2
61.98841	1.5
71.01380	21.7
71.19383	1.0
73.02956	7.6
81.03471	1.1
83.01385	5.9
85.02946	10.1
88.98798	6.0
89.02448	10.0
92.65115	0.9
95.01376	1.2
99.00854	2.0
99.04514	52.0
101.02437	39.1
111.00887	1.5
113.02451	9.7
119.03542	2.0
125.02451	22.1
143.03439	1.6
159.02968	1.1
161.04572	6.9
166.88820	1.1
173.84532	1.0
195.75160	1.1
247.73895	1.3
307.17679	29.6
349.18604	5.0
389.22125	1.2
451.21982	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98728	0.5
51.79241	0.5
52.20686	0.6
55.01882	2.5
57.03458	100.0
59.01389	77.7
60.06555	0.6
67.01862	0.7
71.01383	30.2
73.02953	10.2
75.00861	0.7
81.03449	1.6
83.01398	6.9
85.02952	16.1
87.00874	1.6
89.02445	11.9
95.01375	2.7
99.00861	3.8
99.04520	46.7
101.02439	45.4
101.06925	0.6
102.42251	0.6
113.01720	0.9
113.02451	13.8
119.03471	2.6
125.01545	1.1
125.02449	25.0
126.90489	1.0
142.48448	0.6
143.03493	2.8
143.10745	0.9
153.77246	0.6
159.02957	2.6
161.04570	10.0
180.70651	0.7
212.37804	0.7
229.74391	0.7
241.14619	0.7
289.16550	3.5
301.24362	0.7
307.17667	52.3
349.18750	9.3
387.15448	0.7
389.21893	2.4
404.03625	0.7
446.68854	0.7
451.21967	9.7
472.85089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46986	0.9
55.01873	1.9
57.03457	100.0
59.01387	77.0
60.99309	9.2
61.98833	1.9
71.01385	21.3
73.02945	7.9
83.01376	6.7
85.02945	11.5
88.98806	43.2
89.02435	2.2
95.01427	1.6
99.00885	1.5
99.04517	49.6
101.02444	38.9
106.03401	1.1
113.02449	9.3
123.04520	1.5
125.02430	23.3
137.18277	1.0
143.03545	2.5
161.04578	5.7
217.96239	1.2
229.08649	1.3
266.39581	1.2
276.60675	1.1
307.17612	27.2
349.18735	4.8
451.21945	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	451.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67892	0.5
59.01383	100.0
61.63378	0.5
61.98838	0.7
64.34457	0.6
78.95896	1.2
81.03447	4.5
83.05023	14.8
92.65775	0.7
96.96040	0.6
152.99615	2.3
154.99971	0.6
161.31480	0.6
276.57211	0.6
307.23825	0.6
373.28397	0.6
391.29715	43.4
392.30157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37436	0.1
57.49386	0.1
59.89342	0.1
64.93230	0.1
78.95900	4.9
94.90840	0.1
140.01204	1.8
140.16695	0.1
152.50145	0.1
152.99527	0.5
196.03847	1.0
196.48454	0.1
214.04907	2.2
237.22203	0.3
255.23331	100.0
256.23694	0.5
271.61505	0.1
452.27911	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	452.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47743	0.3
51.90210	0.3
56.07241	0.2
58.75365	0.3
68.75363	0.3
78.95898	19.3
80.95128	0.3
112.97946	0.3
122.00098	0.7
140.01180	5.5
148.49324	0.3
152.99597	1.3
196.03789	8.9
214.04857	1.3
255.23309	100.0
256.23642	1.6
411.12134	0.3
449.45074	0.3
452.27893	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	452.2788
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
58.34819	0.1
78.62907	0.2
78.95902	100.0
96.96952	9.4
110.98494	0.2
140.01187	0.3
152.99591	17.0
171.00641	21.0
188.15111	0.2
214.04723	0.2
254.22009	0.8
255.22429	0.2
266.51440	0.2
378.24173	2.3
452.27881	53.6
453.28284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19939	0.5
55.01888	10.5
57.03190	1.3
57.03456	28.0
59.01106	1.3
59.01387	30.9
67.01920	0.7
69.03480	1.0
71.01382	5.2
71.05019	4.3
72.99308	3.5
73.02946	2.7
75.00884	0.7
81.03453	24.8
83.01386	36.9
84.01740	0.8
84.02155	5.1
85.02950	97.8
87.00860	0.7
92.12389	1.6
93.03450	100.0
97.02953	1.1
99.00854	0.7
99.04514	61.5
101.02450	0.7
106.84660	0.7
109.02978	1.0
111.00877	64.6
113.02480	1.3
121.02935	3.1
121.20197	0.8
127.03078	0.8
127.04008	30.3
129.01933	40.6
136.01656	1.0
137.02443	98.0
139.07684	1.1
143.03413	0.8
147.02977	1.5
152.81638	0.7
153.09131	0.9
154.99876	0.9
167.07211	2.5
171.02985	13.1
173.00925	3.8
177.05597	4.4
189.04102	3.1
197.00980	1.6
205.05070	10.1
215.02034	6.4
229.07121	2.9
231.13863	1.0
233.03056	3.8
249.15182	1.0
273.06204	10.3
333.08209	5.0
446.53448	0.7
459.38583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29005	1.4
55.01873	10.1
56.28083	1.4
57.03460	14.2
59.01111	2.1
59.01389	32.3
71.01357	2.6
71.05018	2.6
72.99296	3.5
77.43898	1.6
81.03454	16.6
83.01384	26.3
84.02158	5.7
85.02950	50.6
99.04501	21.2
109.02945	1.5
111.00880	53.6
115.07648	74.7
121.02957	100.0
127.04002	40.0
129.01949	20.1
133.06592	13.5
150.42789	1.6
161.06073	15.1
171.02980	9.7
183.10211	3.2
189.05582	19.4
215.01964	2.1
251.05620	6.5
396.36728	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	453.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74700	0.4
63.21391	0.5
68.99575	100.0
84.36586	0.4
98.41396	0.5
112.98565	73.8
115.97417	0.5
157.19897	0.5
163.11311	3.8
339.23480	1.2
439.65378	0.5
467.52505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.286
Annotation	CHEBI:83023
Peak:m/z	Relative Intensity
51.00590	0.4
53.75606	0.3
54.44542	0.3
55.01890	3.1
57.03460	2.5
59.01400	4.1
69.03471	0.7
71.05025	57.2
72.46093	0.4
73.02949	100.0
74.03278	0.4
83.05018	0.6
92.64717	0.4
97.06581	0.6
102.37312	0.4
107.45325	0.4
111.08158	29.6
123.08176	2.5
137.09737	0.8
139.11295	0.7
151.11285	0.6
179.14474	3.4
183.10254	7.2
190.73981	0.4
205.04105	0.4
223.13379	1.8
231.17577	2.6
243.66087	0.4
261.22183	4.3
269.17599	67.8
270.18005	0.5
283.27737	0.4
299.23801	0.7
317.24707	0.6
320.09891	0.4
329.04483	0.5
329.28683	0.5
343.22903	1.6
361.23825	5.5
373.27426	1.0
417.26260	0.7
435.27579	30.8
451.81644	0.4
453.28632	32.4
454.29337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33705	0.2
59.01398	0.7
61.19377	0.1
61.98837	100.0
74.47179	0.2
85.65267	0.2
91.80202	0.2
92.11780	0.2
110.55264	0.2
114.17495	0.2
198.97676	0.2
248.55606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0976
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
58.92335	0.2
59.01387	0.6
60.99306	2.8
61.20591	0.2
63.24534	0.3
64.65021	0.2
67.88927	0.3
76.96129	0.2
77.67655	0.3
78.95898	80.0
80.17499	0.3
87.96936	0.3
88.98801	15.8
96.96951	100.0
138.98019	4.8
144.08189	0.6
152.39055	0.3
184.08824	0.7
198.06741	2.4
198.98305	0.4
199.00124	9.0
212.08287	5.7
213.01707	8.5
221.10330	0.3
241.07304	6.3
243.08836	0.4
255.08881	7.5
400.61310	0.3
455.09799	27.7
456.09576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.4
57.03461	5.4
59.01380	1.7
66.35181	0.3
68.99805	0.5
69.03448	0.4
71.01386	1.7
72.38638	0.3
72.99299	0.4
75.00866	0.3
80.02668	0.4
81.03450	1.8
83.01391	8.7
83.05027	2.7
84.02166	5.8
85.02949	21.6
85.06554	1.1
87.42771	0.3
90.64697	0.3
93.03451	2.1
95.05030	1.8
99.00880	0.5
99.04516	100.0
106.04257	0.3
109.02938	4.5
109.06597	14.1
110.03750	1.6
111.00880	14.2
111.01656	0.5
111.04517	5.4
111.08137	3.3
113.06094	1.7
121.02961	0.8
121.06587	6.2
123.04531	3.0
123.08158	1.5
124.05276	1.5
129.01953	3.1
137.06096	1.2
139.07658	16.3
149.06119	2.5
163.00906	0.3
165.05498	0.3
167.07138	32.8
190.17635	0.3
211.06166	6.3
237.04018	0.5
238.61992	0.3
255.05037	0.6
311.11395	2.7
446.22992	1.1
446.72778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51859	0.5
54.82676	0.6
55.01886	6.5
56.94093	0.6
57.03447	1.2
79.06391	0.6
81.03462	0.8
83.01382	19.4
83.05022	1.4
84.02155	6.4
84.29625	0.6
85.02946	8.1
93.03436	3.2
93.92471	0.6
95.05007	1.1
99.04507	100.0
102.91977	0.8
108.02261	0.8
109.02937	4.4
109.06590	15.7
111.00877	34.0
111.04514	5.0
111.08151	4.7
121.06559	7.3
121.92673	0.7
123.04553	3.4
123.08178	1.1
126.64552	0.7
129.01938	3.0
139.07651	16.3
139.58737	0.7
149.06067	3.1
152.36583	0.7
167.07126	20.2
211.06113	7.6
255.05180	1.1
311.11331	1.1
332.17664	0.9
369.70462	0.7
443.34955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.5
57.03456	3.7
58.00605	0.3
59.01375	1.6
60.99314	0.2
65.03951	0.3
67.01897	0.4
68.99812	0.6
69.03445	0.4
71.01383	1.5
72.99289	0.4
75.00891	0.3
80.02660	0.3
81.03460	2.0
83.01390	10.0
83.05037	2.6
84.02172	6.0
85.02953	14.8
89.02444	0.3
93.03451	1.8
94.04261	0.5
95.05035	1.1
99.04517	100.0
100.04841	0.7
108.02178	0.3
109.02953	5.1
109.06588	12.3
110.03714	1.7
111.00881	16.4
111.04527	5.2
111.08157	3.7
113.06115	0.6
121.06584	6.2
122.03714	0.6
123.04504	3.2
123.08186	1.1
124.05283	1.2
125.02451	0.4
129.01938	2.8
137.06088	1.7
139.07652	15.4
140.08031	0.2
149.06041	1.8
167.07144	23.2
170.33855	0.3
179.54506	0.3
211.06137	5.2
255.05147	1.6
311.11319	2.6
369.37128	0.3
415.47202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03456	6.6
59.01386	100.0
59.06354	0.5
61.98508	0.8
61.98834	21.7
64.34653	0.5
71.01382	26.0
72.98919	0.6
72.99303	4.5
73.02943	20.6
75.00864	7.2
83.01386	5.7
85.02949	24.4
87.00877	3.4
89.02432	11.3
95.01384	2.7
96.95983	0.7
99.00889	4.6
101.02431	19.4
103.00404	0.7
109.02915	0.8
111.00885	3.4
113.02437	14.1
117.01864	0.8
119.03499	2.9
121.02944	3.1
121.06620	1.2
124.70862	0.7
129.01935	5.0
131.03493	1.3
131.39081	0.6
133.40793	0.7
137.09703	9.4
143.03557	1.2
149.04539	1.2
150.06865	2.5
159.10263	2.9
161.04544	4.6
173.01001	0.7
205.12357	14.5
209.18863	0.6
213.95746	0.6
218.58163	0.8
228.18631	0.6
239.14255	0.8
249.06163	8.6
265.67471	0.7
267.07300	5.5
295.04446	0.6
313.78564	0.7
343.77084	0.7
419.18860	0.7
455.19269	24.9
481.26898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.4
59.84250	0.3
61.98836	100.0
63.41464	0.3
72.29156	0.4
82.11832	0.3
96.96014	0.4
107.91145	0.4
116.92883	0.5
237.15794	0.3
348.52493	0.5
395.21466	0.7
442.40616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90898	0.2
57.21764	0.2
61.93903	0.2
61.98837	100.0
63.14989	0.2
109.06934	0.2
130.08743	1.0
137.92760	0.2
182.17209	0.2
183.18071	0.2
223.67239	0.2
320.77219	0.2
335.88895	0.3
392.32031	0.4
419.81644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.2
57.03458	15.1
59.01386	20.0
61.98836	100.0
66.22052	0.2
71.01378	3.8
71.61638	0.2
73.02936	1.2
77.30009	0.2
80.60616	0.2
81.03476	0.4
83.01352	0.8
85.02962	2.7
85.40129	0.2
87.00900	0.3
88.04041	0.4
89.02436	0.3
96.96033	0.4
99.00895	0.4
99.04519	11.2
99.05151	0.5
101.02435	7.0
102.05602	1.5
113.02466	1.4
122.09178	0.3
125.02445	3.9
128.03537	2.7
129.01929	0.4
143.03560	1.1
143.33221	0.3
144.06726	0.4
158.33206	0.2
161.04559	1.0
167.03520	0.3
170.04611	0.3
188.05731	1.5
201.34314	0.3
240.47644	0.3
249.13417	5.0
253.05066	4.6
274.10641	0.3
291.14560	2.3
307.17676	0.5
331.17767	1.0
349.18845	0.5
350.62085	0.3
393.17697	8.8
396.19760	0.5
440.31128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
57.03454	2.2
59.01385	48.5
60.01721	1.3
61.98833	100.0
71.01380	8.2
72.99307	0.6
73.02939	5.1
73.38584	0.3
74.03320	0.4
75.00861	0.5
76.77812	0.3
83.01398	1.4
85.02950	7.6
87.00872	0.6
88.04015	0.3
89.02428	2.6
91.21525	0.3
92.11683	0.4
95.01368	0.6
99.00914	0.8
101.02438	5.6
102.02747	0.5
111.00887	0.8
113.02433	3.8
119.03491	0.5
121.02969	0.5
123.04550	0.5
129.01917	1.3
137.07251	1.8
137.09758	1.2
138.10143	0.5
161.04608	1.6
167.03595	0.6
202.90178	0.3
205.12480	1.5
206.12761	1.6
219.92973	0.4
249.06190	0.6
250.15645	0.6
253.05109	3.8
267.07196	0.6
289.16629	0.5
294.14890	0.6
307.17566	4.6
309.37338	0.4
349.18762	4.1
455.19571	1.2
456.19287	3.4
473.93738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99252	6.6
58.47766	6.7
59.01379	72.4
59.70699	6.5
61.98820	7.0
67.56648	7.1
88.84668	7.8
92.64937	9.8
99.92545	9.9
116.92868	100.0
174.99272	11.4
217.00311	48.0
227.20163	15.9
228.20517	11.6
253.05035	17.9
374.99240	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	457.1142
Annotation	Chrysin 7-(4'-acetylglucoside)
Peak:m/z	Relative Intensity
91.01891	1.5
109.47697	0.2
125.51165	0.2
132.02155	0.8
133.02957	1.5
135.00905	1.1
153.01968	0.2
169.06509	0.2
180.05760	0.6
182.64343	0.1
191.10919	0.1
195.04538	0.6
196.05234	0.8
197.06090	1.1
208.05264	1.6
209.06123	1.6
223.04066	1.2
224.04796	2.8
225.05507	1.5
237.05461	0.2
252.04274	1.9
253.05078	100.0
254.05386	3.5
260.33743	0.2
264.05646	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1146
Annotation	Daidzein 6'-O-acetate
Peak:m/z	Relative Intensity
54.29695	0.1
59.01395	1.0
65.00337	0.2
68.99796	0.2
70.36732	0.1
74.43787	0.1
85.70065	0.1
91.01892	2.1
101.82442	0.1
112.83578	0.1
117.03436	0.4
122.16009	0.1
132.02164	1.8
133.02968	2.2
135.00894	2.1
153.01947	0.7
167.05109	0.2
169.06558	0.7
169.94971	0.1
180.05846	0.8
181.06552	0.2
183.04555	0.3
186.19099	0.1
195.04590	1.4
196.05240	1.1
197.06140	1.5
208.05321	2.5
209.06093	2.5
210.03242	0.1
211.04022	0.2
223.02034	0.2
223.04031	3.5
224.04787	4.0
225.05585	1.3
251.03412	1.4
252.04295	10.6
253.05081	100.0
254.05412	2.2
275.07245	0.2
282.80746	0.1
397.09387	2.1
457.11392	2.3
458.12125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83125	0.2
57.03450	0.3
59.01376	1.7
60.18984	0.2
65.00323	1.3
65.73119	0.2
71.01369	0.3
81.03455	6.4
83.01382	1.1
95.05029	0.3
97.02964	0.4
99.08150	1.8
101.06081	1.0
107.01388	0.5
107.05024	0.3
116.01391	0.2
121.03022	0.3
123.04558	0.3
123.08164	3.6
124.01691	0.3
125.02441	5.5
125.06074	7.8
136.05301	1.1
139.03998	0.2
141.09215	0.6
147.08174	0.4
149.02441	1.5
151.00365	1.5
152.01132	1.0
165.09212	48.7
175.00356	0.4
177.09135	0.3
179.07172	0.9
191.07179	2.2
193.08725	1.2
205.08681	1.3
208.07484	0.5
209.08211	100.0
210.08589	0.5
215.07169	1.0
221.08144	1.0
223.09753	3.6
233.08195	19.1
235.09660	0.3
251.09262	7.2
253.05096	0.3
259.03949	0.3
263.09286	2.5
264.92682	0.2
275.09250	0.3
306.75345	0.2
395.13474	0.3
413.14575	13.6
448.65427	0.3
474.43082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27703	0.2
57.03442	0.4
59.01384	4.7
62.27280	0.3
70.04974	0.3
71.01379	3.8
71.05010	1.6
73.02946	0.7
73.74731	0.3
78.75165	0.3
85.02958	0.8
87.00851	0.5
87.04511	2.1
88.04052	0.5
89.02438	1.6
96.96005	1.5
97.08750	0.3
101.02453	1.4
111.00850	0.4
113.02441	0.8
114.93401	8.6
115.00373	4.0
115.04001	100.0
116.04351	0.5
116.92856	0.5
119.03521	0.3
128.03531	0.5
129.01959	0.3
136.84314	0.3
151.02611	0.5
179.05569	0.6
196.34161	0.3
204.08736	0.4
240.57451	0.4
313.11444	0.5
341.10959	2.8
355.12708	0.6
457.16269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52325	0.4
53.84362	0.4
55.01871	3.4
57.03453	4.6
57.63292	0.5
58.00598	2.4
59.01389	100.0
60.01724	0.6
61.98846	3.9
62.44588	0.6
69.03452	1.3
71.01385	45.9
72.99297	2.4
73.02946	74.6
75.00886	0.8
81.03438	0.7
82.95409	0.6
83.01396	16.5
85.02955	19.5
87.00872	1.4
89.02448	12.2
91.68570	0.5
95.01380	1.0
97.02934	1.1
99.00867	2.8
101.02438	53.8
108.02145	0.9
111.00883	2.3
113.02448	11.6
114.51428	0.6
115.07641	1.2
119.03497	3.7
123.04523	2.9
125.02436	1.0
128.33727	0.6
129.01947	5.4
131.03490	3.7
136.01466	0.6
143.03485	2.9
147.11800	2.4
148.05266	1.4
149.04530	2.8
152.01172	0.7
155.03499	1.0
161.04556	10.2
163.07637	0.9
167.03502	7.5
173.00871	0.9
183.10257	1.1
191.10779	9.8
200.88472	0.6
221.06557	0.6
253.05133	9.3
337.30859	0.7
353.16147	0.9
371.17136	5.3
413.18250	33.5
414.18585	0.9
467.88461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.8
57.03450	2.3
59.01381	36.8
61.98834	3.5
71.01385	35.9
72.99310	1.7
73.02938	17.0
78.95895	2.7
83.01398	7.3
84.20866	1.6
85.02946	24.2
87.00868	3.4
89.02437	15.0
92.12417	3.2
95.01376	1.6
96.96008	45.0
96.96960	2.2
99.00863	6.4
101.02427	36.8
102.02753	1.6
111.00885	2.1
113.02460	20.6
114.93446	6.2
115.00345	5.8
115.04026	1.6
115.55899	1.6
116.92822	2.1
118.68200	1.4
125.02399	2.0
138.56754	1.4
139.05269	1.4
142.10925	1.5
143.03539	1.8
159.02989	2.8
161.04562	17.6
203.51163	1.5
212.86488	1.6
220.14079	1.8
249.32614	1.6
265.12927	23.2
315.03293	1.4
346.39243	1.5
397.17191	100.0
398.17441	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.3
57.03458	3.4
58.00595	0.7
59.01387	29.2
61.98837	1.2
64.68298	0.5
69.03448	0.5
71.01383	39.1
72.99308	1.1
73.02946	18.5
75.00874	0.9
82.95405	0.5
83.01385	7.2
85.02464	0.9
85.02952	22.0
87.00864	2.7
89.02435	10.3
95.01361	3.0
96.96002	6.7
96.96980	0.6
97.02932	1.8
99.00881	9.6
101.02439	39.5
103.07650	0.8
111.00871	1.1
113.02443	17.3
114.93382	1.2
115.00418	0.7
115.04002	2.4
117.94782	0.5
125.02423	3.3
129.01904	0.8
131.03479	0.9
134.44313	0.5
143.03494	2.3
144.01779	0.5
149.04501	0.6
159.02992	5.0
161.04576	19.6
233.06770	0.8
265.12958	23.0
288.39545	0.6
293.08615	0.8
397.17197	100.0
398.17514	1.2
427.03717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37974	0.4
54.52256	0.4
59.01395	0.4
59.82492	0.4
73.23735	0.5
87.94283	0.5
90.82253	0.4
93.94859	0.4
99.00864	2.0
99.92571	5.7
100.93342	6.3
115.92074	100.0
116.92089	1.9
116.92865	7.5
129.29654	0.5
132.92383	1.1
148.51311	0.4
172.95459	3.1
206.99982	0.5
249.13448	0.6
325.68420	0.7
388.16290	0.7
409.20660	0.9
449.07040	0.5
457.22717	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	457.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
58.00601	2.7
59.01387	88.1
71.01382	81.5
72.99311	2.1
73.02934	1.5
83.01381	1.8
85.02957	5.4
87.00861	4.4
89.02439	100.0
95.01383	1.3
96.18833	1.2
101.02441	20.2
113.02452	15.1
119.03487	10.6
131.03493	2.6
143.03519	2.4
149.04585	1.8
161.04561	2.8
179.05603	24.1
253.05283	1.8
277.21747	45.5
278.22208	1.4
304.37634	1.3
359.22189	4.0
386.92200	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59127	0.3
59.01389	100.0
59.49016	0.4
59.57677	0.4
61.02350	0.3
61.98838	1.0
62.51165	0.3
63.00878	0.4
67.64184	0.3
71.01398	0.4
76.79024	0.4
84.95628	0.3
85.19601	0.4
87.82407	0.3
90.22540	0.3
90.48855	0.3
91.04008	0.7
97.76003	0.4
98.67420	0.4
116.92085	0.4
116.92824	1.3
161.04608	0.5
176.56978	0.4
217.00470	0.8
221.87732	0.4
253.05086	0.8
274.00287	0.4
323.22375	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90118	0.4
55.01891	0.9
57.03466	9.0
57.79791	0.5
58.00609	0.7
58.48160	0.5
59.01110	0.8
59.01393	18.3
61.98848	4.4
68.99838	1.0
69.03469	0.7
71.00991	0.7
71.01389	20.4
72.99301	4.4
73.02945	2.1
75.00880	70.5
80.03944	0.5
83.01386	1.1
84.02180	0.9
85.02467	1.0
85.02958	18.4
87.00875	12.7
89.02477	4.6
92.11694	0.6
92.65810	0.6
97.02934	2.2
99.00882	4.9
101.02466	4.4
111.00887	1.2
113.02451	1.1
114.75964	0.6
117.01912	0.8
129.01941	15.3
131.03546	0.5
141.01927	1.0
152.62866	0.6
159.02998	3.1
177.04041	63.4
195.05064	1.2
205.84015	0.6
253.04990	0.7
279.23300	64.9
287.59604	0.6
293.24911	2.1
295.22781	4.8
397.22604	0.6
457.28128	100.0
458.28552	1.0
465.59897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	33.5
59.01391	25.9
61.98840	100.0
62.41738	0.4
63.73321	0.5
66.56240	0.4
71.01390	6.6
73.02950	2.7
82.63940	0.5
83.01407	1.2
85.02980	3.8
89.02435	1.3
92.38829	0.5
99.00960	0.5
99.04522	24.9
101.02438	14.7
101.14660	0.6
113.02470	4.7
119.03535	0.7
125.02445	9.5
128.03572	0.6
128.27757	0.5
143.03564	1.0
161.04526	6.8
226.07025	0.5
233.10400	0.7
251.11386	16.8
293.12433	12.9
333.15665	2.8
351.16815	0.6
395.15610	26.3
409.94443	0.6
458.17078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
57.03456	34.1
57.28599	0.3
57.56813	0.3
59.01386	29.0
61.98835	100.0
64.73267	0.3
71.01386	8.3
73.02956	5.1
83.01398	1.7
85.02957	5.2
89.02460	1.8
93.93716	0.4
95.01380	0.6
99.00905	0.8
99.04514	25.0
101.02440	17.3
113.02453	5.8
119.03531	0.6
125.02440	12.8
128.03542	0.6
131.34192	0.4
143.03558	2.2
159.03035	1.0
161.04556	7.6
180.85435	0.4
233.10422	1.6
251.11365	21.6
293.12424	14.5
309.64627	0.4
333.15701	2.6
351.16565	0.7
395.15637	31.0
448.06009	0.5
459.19009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03438	0.6
58.00595	2.3
59.01386	76.7
71.01381	48.0
72.99304	0.9
73.02944	21.9
74.85320	0.5
75.00862	0.6
83.01373	0.8
85.02954	6.8
87.00873	3.6
89.02441	70.7
95.01367	3.0
99.00867	2.1
101.02435	24.1
103.00369	1.2
113.02449	18.8
116.03561	4.5
116.07168	48.4
116.92847	2.3
117.01936	33.4
119.03490	24.3
131.03503	2.8
143.03500	3.3
149.04601	2.0
161.04587	4.8
179.05620	20.4
301.37265	0.6
341.10910	100.0
342.11264	2.1
343.11411	0.8
433.68207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.8
58.02977	6.1
59.01117	0.9
59.01388	22.6
59.01686	0.7
61.98841	6.4
69.03451	0.8
70.02988	0.5
70.11320	0.4
71.00983	1.0
71.01380	29.5
71.05008	2.5
73.02943	0.9
82.03082	0.5
83.05035	1.1
85.02940	2.7
85.06599	0.5
86.06116	0.9
87.04514	9.9
88.04038	57.5
89.02421	0.5
91.03057	0.5
95.05001	1.2
96.95977	0.8
96.99295	0.8
101.02453	0.7
109.06589	0.7
113.02410	0.7
113.06082	2.1
115.00374	18.0
120.66622	0.5
132.03035	5.0
138.71942	0.5
180.13985	0.8
181.12361	0.9
182.15532	3.3
192.13942	2.3
193.12306	1.8
199.13319	0.6
205.04930	1.0
207.13979	2.4
210.15022	12.4
211.13437	6.8
233.04646	1.3
236.16676	1.2
237.14912	1.0
253.05107	4.7
254.05386	6.3
254.17593	2.3
286.42557	0.6
324.21799	0.8
325.20215	0.7
339.08560	0.7
342.22906	7.8
343.21271	26.9
369.09787	0.9
414.25018	6.9
439.72559	0.5
440.22955	3.2
458.24017	100.0
459.13062	2.2
459.24289	3.5
480.72281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70625	0.6
52.28036	0.6
55.01885	4.9
55.64722	0.5
57.03188	1.4
57.03456	30.6
58.32067	0.6
59.01387	37.9
59.37407	0.6
61.98831	1.2
68.99805	0.8
71.01395	5.3
72.99296	1.3
73.02946	3.4
82.95423	1.4
83.01395	8.7
84.02175	1.7
85.02952	100.0
86.20686	0.7
87.00880	1.5
88.04035	1.2
96.96017	1.1
101.02460	1.6
111.00889	13.2
115.00424	0.9
117.03493	2.5
119.05032	25.5
121.02065	1.2
121.02954	35.7
129.01947	33.6
133.06618	4.1
135.00925	0.9
135.04503	1.4
145.02959	16.3
147.03009	6.8
161.06148	1.5
163.03995	14.6
173.00906	7.5
189.05582	3.9
191.02025	3.1
195.06680	1.1
207.13988	1.2
231.06647	1.3
251.05620	5.1
255.06592	1.3
274.07565	0.8
293.06888	2.5
313.05533	1.4
343.21521	0.9
436.31619	0.8
458.23929	3.9
459.23724	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	459.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	5.2
55.57796	0.2
57.03456	0.6
59.01391	19.7
71.01392	3.4
72.99303	0.4
73.02952	2.3
81.03444	0.5
83.00920	0.6
83.01396	13.0
84.02168	0.5
85.02959	2.9
89.02438	0.7
89.70676	0.3
96.96020	0.3
99.04520	1.6
101.02443	2.3
107.38959	0.3
108.02162	1.2
111.00881	21.3
113.02438	0.5
115.05542	1.2
116.92862	0.4
121.02949	100.0
122.03288	0.4
123.04485	0.4
125.02431	0.3
127.03989	1.8
129.01938	1.3
131.05023	4.4
133.02940	1.2
133.06589	16.4
143.05034	1.7
151.00380	0.5
152.01154	1.8
159.04529	2.3
161.06071	13.4
167.03522	1.7
170.14734	0.3
171.03061	0.3
174.51915	0.3
189.05579	13.4
190.21677	0.3
193.12296	0.3
194.43260	0.3
233.04576	2.0
251.05579	0.6
255.06665	0.7
260.11581	0.3
277.03571	0.4
281.69717	0.3
381.92749	0.3
415.19894	1.2
423.22455	1.8
459.12961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.6
55.15102	0.3
57.03446	4.2
59.01112	0.8
59.01386	15.4
62.07518	0.4
62.19455	0.4
67.01904	0.6
69.42872	0.4
71.00970	0.4
71.01386	1.9
71.05016	0.9
72.99307	2.6
73.21800	0.4
75.00850	0.6
77.87048	0.4
80.59736	0.4
81.03448	6.1
83.01382	11.0
83.87424	0.4
84.02158	0.8
85.02954	10.8
86.67413	0.4
92.56273	0.4
92.65965	0.5
99.04504	8.2
109.67687	0.4
111.00874	21.1
121.02948	100.0
127.04021	10.9
129.01924	7.9
131.05051	3.5
133.02917	0.8
133.06573	11.4
135.04492	0.7
143.05038	0.7
159.04547	1.8
161.06084	8.4
171.03001	5.1
189.05579	9.4
215.02023	1.0
223.96172	0.5
233.04686	0.7
233.30820	0.4
251.05588	5.7
280.01468	0.4
293.06723	2.3
376.75403	0.5
423.80328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1303
Annotation	6'-O-Acetylliquiritin
Peak:m/z	Relative Intensity
50.58722	0.5
55.01871	2.5
57.03452	5.9
58.67920	0.5
59.01109	0.8
59.01384	15.8
63.02403	2.6
65.00331	4.6
65.00609	0.5
66.65456	0.5
71.01366	3.2
72.99298	0.8
73.02943	1.2
81.03463	2.4
83.01385	8.5
83.22218	0.6
85.02956	5.6
89.02457	0.8
91.01859	1.2
99.00891	0.6
99.04533	5.3
101.02444	1.2
107.01377	6.8
108.02159	2.5
111.00882	9.9
112.57037	0.6
119.05018	17.8
121.02948	44.3
127.04006	5.0
129.01942	4.5
131.05025	1.4
133.02989	0.9
133.06586	5.8
135.00896	3.0
141.07085	0.6
145.06593	5.1
149.40797	0.6
151.00392	6.8
153.01944	4.1
159.04523	0.9
161.06087	3.1
164.01118	1.1
169.06554	1.4
171.03021	2.3
171.04549	6.3
173.06036	2.8
177.01976	0.9
187.07623	0.9
189.05632	4.7
208.58102	0.6
211.07672	3.4
213.05611	7.8
239.07097	0.8
251.05586	2.2
254.05739	0.7
255.06656	100.0
256.07251	1.8
269.08188	1.3
297.07733	8.6
325.20526	0.6
415.20013	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
79.05507	0.9
93.03446	43.7
95.01369	4.2
106.04241	5.7
108.02179	1.0
109.02950	1.3
117.03451	2.3
119.05013	100.0
121.02935	4.1
122.03729	2.1
123.04532	14.3
131.04988	1.4
133.06578	1.4
135.04503	5.8
137.06142	1.1
143.05032	4.0
145.02930	1.9
147.04498	11.0
149.06053	8.6
151.03954	3.9
159.04495	4.2
160.05272	2.0
161.02467	1.5
161.06070	24.3
162.03200	4.3
163.04031	3.8
163.07611	13.1
171.04482	4.6
173.06010	10.9
175.03992	18.7
175.07523	1.7
177.05513	4.5
183.08138	1.8
185.06160	1.0
187.03979	5.3
188.04776	8.1
189.05582	25.7
190.02705	1.3
191.03587	1.1
191.07138	3.9
200.04803	1.3
201.05585	13.6
203.03491	1.3
205.05103	1.3
207.08154	1.3
211.07558	1.0
213.05603	1.8
219.06616	3.6
221.09811	1.7
223.11302	6.6
238.06334	3.7
251.07022	3.8
251.10699	1.5
252.07845	4.7
253.05031	7.4
253.08667	7.3
254.05258	6.3
255.05583	7.1
262.10837	1.0
263.06860	1.0
265.08777	7.8
267.07578	1.6
267.10272	30.7
279.10233	5.6
280.07507	1.3
295.09775	78.8
296.10110	1.5
300.16061	1.0
307.09775	23.8
325.07489	1.1
325.10809	30.9
339.08765	99.8
340.09033	1.7
351.08524	1.2
369.05374	1.9
369.09778	34.2
381.09851	4.0
459.12888	4.6
465.15854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1302
Annotation	6'-O-Acetylliquiritin
Peak:m/z	Relative Intensity
52.85412	0.2
55.01870	0.4
57.03449	0.7
59.01385	16.4
71.01384	4.3
71.05019	0.3
72.99297	1.0
73.02946	3.9
81.03471	0.6
83.01392	2.0
85.02948	2.4
86.98011	0.3
89.02434	1.5
91.01884	17.3
91.70822	0.3
93.03442	1.1
99.04504	1.1
101.02435	4.2
103.00409	0.4
108.02154	1.0
111.00895	2.4
113.02460	0.6
116.92914	0.3
117.03439	0.3
119.05016	100.0
120.05339	0.6
121.02950	17.3
122.03730	0.7
127.04009	1.5
129.01939	1.0
131.03589	0.3
133.06589	2.6
135.00876	21.2
145.02948	0.4
148.01677	1.3
149.02448	0.5
153.01936	26.0
159.04616	0.3
161.04706	0.4
161.06076	1.5
163.35335	0.3
171.03029	0.5
180.00711	1.2
189.05640	1.7
192.06625	0.3
193.12320	1.2
211.07614	0.3
213.05614	0.6
233.04422	0.4
251.05516	0.5
254.05972	1.1
255.06647	70.4
256.06961	1.7
290.80057	0.3
297.07642	1.3
334.74893	0.3
399.24152	0.4
415.14651	0.5
415.19681	3.3
417.25269	0.3
423.22244	0.5
458.57858	0.3
459.13040	2.7
459.19434	0.7
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	6'-O-Acetylliquiritin
Peak:m/z	Relative Intensity
52.85412	0.2
55.01870	0.4
57.03449	0.7
59.01385	16.4
71.01384	4.3
71.05019	0.3
72.99297	1.0
73.02946	3.9
81.03471	0.6
83.01392	2.0
85.02948	2.4
86.98011	0.3
89.02434	1.5
91.01884	17.3
91.70822	0.3
93.03442	1.1
99.04504	1.1
101.02435	4.2
103.00409	0.4
108.02154	1.0
111.00895	2.4
113.02460	0.6
116.92914	0.3
117.03439	0.3
119.05016	100.0
120.05339	0.6
121.02950	17.3
122.03730	0.7
127.04009	1.5
129.01939	1.0
131.03589	0.3
133.06589	2.6
135.00876	21.2
145.02948	0.4
148.01677	1.3
149.02448	0.5
153.01936	26.0
159.04616	0.3
161.04706	0.4
161.06076	1.5
163.35335	0.3
171.03029	0.5
180.00711	1.2
189.05640	1.7
192.06625	0.3
193.12320	1.2
211.07614	0.3
213.05614	0.6
233.04422	0.4
251.05516	0.5
254.05972	1.1
255.06647	70.4
256.06961	1.7
290.80057	0.3
297.07642	1.3
334.74893	0.3
399.24152	0.4
415.14651	0.5
415.19681	3.3
417.25269	0.3
423.22244	0.5
458.57858	0.3
459.13040	2.7
459.19434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1307
Annotation	6'-O-Acetylliquiritin
Peak:m/z	Relative Intensity
52.26505	0.4
57.03448	2.3
59.01387	48.6
61.28946	0.5
62.31565	0.4
71.01372	2.4
73.59142	0.5
85.02948	3.3
88.04035	2.8
91.01888	32.2
91.02463	1.2
92.11611	1.3
95.01340	0.9
96.96008	35.4
96.96937	1.7
108.02160	2.9
116.92889	0.7
119.05019	97.0
120.05280	0.5
129.01973	1.0
135.00885	53.6
145.02890	0.8
148.01663	8.0
153.01944	57.5
153.31329	0.6
154.02376	0.5
163.04022	0.9
180.00674	4.5
205.05074	1.0
207.13959	1.0
213.05608	3.4
216.52649	0.5
233.04520	2.7
253.05042	7.0
254.05399	8.9
255.06667	100.0
256.07001	2.0
267.15900	0.6
339.08713	0.7
343.21338	0.8
399.10876	33.2
400.11502	0.7
417.11926	4.8
458.24017	3.2
459.13065	23.1
459.24060	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1306
Annotation	6'-O-Acetylliquiritin
Peak:m/z	Relative Intensity
52.69288	0.7
57.03460	1.4
57.52393	0.6
59.01392	68.8
61.98838	1.7
71.01382	3.0
74.38791	0.6
79.22355	0.6
82.95444	0.9
85.02947	3.1
88.04056	3.0
91.01896	33.0
93.03455	0.7
95.01413	0.9
96.96008	43.7
96.96964	1.4
108.02167	3.1
113.14895	0.8
116.92830	0.7
119.05022	96.2
121.02942	0.8
129.02034	0.9
135.00883	54.0
136.01241	0.7
145.02979	2.8
148.01649	7.4
149.02492	0.8
153.01942	57.9
180.00624	5.3
205.05107	1.2
207.13852	2.9
213.05623	1.5
224.04663	0.7
225.14796	1.0
233.04588	1.0
253.05106	8.1
254.05479	11.2
255.06677	100.0
256.06830	1.1
399.10889	33.3
400.11096	0.9
417.12057	4.5
454.44135	0.7
458.24146	2.9
459.13004	21.8
459.24155	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61622	0.2
59.01387	12.4
60.65441	0.2
71.01379	7.9
72.62910	0.2
72.99303	0.3
73.02946	60.7
74.02469	0.2
83.01395	0.3
85.02940	1.0
87.00859	0.5
89.02438	10.0
92.12386	0.2
92.13914	0.2
95.01411	0.3
97.27624	0.3
99.00867	6.2
101.02428	2.8
103.00378	1.8
113.02440	2.8
116.07188	0.9
116.92806	0.8
117.01926	100.0
118.05126	0.2
119.03481	3.7
131.03467	0.2
131.67291	0.2
132.50888	0.2
143.03514	0.4
161.04536	1.1
168.77602	0.3
179.05608	3.7
329.76657	0.2
341.10907	12.4
342.11127	1.4
351.11115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03453	1.5
59.01385	100.0
61.78659	1.0
69.03471	1.1
71.01383	43.4
72.99281	1.0
73.02942	77.7
83.01387	16.3
85.02950	5.6
89.02435	14.4
92.12440	3.0
95.01385	1.8
97.55448	1.0
99.00842	1.5
101.02428	52.1
113.02453	12.3
116.74627	1.1
119.03468	2.3
131.03506	1.8
135.42851	1.1
143.03506	2.3
144.75221	1.2
149.04576	1.6
152.20546	1.0
155.03459	1.0
161.04567	10.8
193.12349	7.4
275.65390	1.1
275.96307	1.2
360.70074	1.2
373.18729	8.8
415.19739	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58590	0.4
52.79700	0.5
54.03843	0.5
55.01891	5.3
56.51289	0.5
57.03453	3.6
58.00605	1.2
59.01389	100.0
60.12094	0.5
69.03450	1.2
71.01385	60.2
72.99324	1.9
73.02944	25.9
75.00860	1.0
83.01386	9.6
84.02171	1.0
85.02950	39.8
87.00877	1.2
89.02438	21.7
92.09173	0.5
92.49270	0.5
95.01379	11.1
97.02975	0.8
99.00881	3.6
101.02437	36.7
111.33950	0.5
113.02448	48.2
115.00323	0.6
115.60919	0.5
119.03489	7.8
125.02459	0.8
125.53584	0.6
131.03482	3.6
135.18753	0.5
143.03540	2.3
149.04616	1.7
161.04546	7.0
165.09268	0.6
168.00964	0.6
193.12337	14.1
209.08260	0.7
211.13510	2.1
247.43724	0.5
355.17685	48.1
373.18723	12.6
385.22488	0.5
415.19797	34.9
416.20135	0.6
424.76135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54954	0.9
54.82516	1.1
55.01880	4.3
55.34721	0.9
57.03438	5.2
59.01386	69.4
71.01384	18.0
71.40168	0.8
72.99288	1.5
73.02946	20.1
81.03468	7.4
83.01383	14.2
85.02949	16.7
85.18359	1.0
88.88010	1.0
89.02431	5.9
91.01871	6.0
95.01402	1.4
99.04510	7.1
101.02443	18.4
105.24585	1.1
111.00878	13.5
113.02439	5.8
115.55798	1.1
116.92833	1.8
119.05028	20.0
121.02950	100.0
122.03316	2.6
125.02412	1.3
127.04001	11.1
129.01953	6.8
131.05040	2.5
133.02979	1.1
133.06589	12.6
135.00864	6.6
148.01675	7.0
153.01888	11.2
159.04547	2.1
161.04662	2.8
161.06087	9.7
171.03024	4.7
180.00630	5.3
189.05569	11.0
193.12247	1.4
233.04587	1.7
251.05627	5.0
253.49022	1.2
254.05806	2.2
255.06651	18.6
297.07535	1.9
415.19748	17.1
421.21271	1.3
423.22223	1.6
459.13016	7.6
459.19885	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	459.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15551	8.8
55.14859	8.0
57.08668	8.7
59.01103	9.4
59.01381	100.0
59.20028	9.3
61.98819	14.8
68.58749	9.1
79.39057	10.4
108.29826	10.8
111.90831	9.7
116.92873	75.5
121.02933	15.4
148.78787	9.3
155.22473	10.3
191.77859	9.0
235.95322	9.9
243.27258	11.1
265.83002	10.6
376.19452	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	459.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43449	0.7
59.01389	100.0
61.98805	0.8
79.77412	0.9
113.54850	1.0
121.02960	1.7
126.75893	0.8
253.25252	1.2
263.85455	0.8
279.23273	1.2
281.24820	6.7
295.22885	1.3
297.24374	11.2
299.25946	59.5
300.26254	1.0
341.27005	47.4
444.76691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71851	0.8
58.00608	3.8
59.01387	100.0
71.01382	88.9
72.99303	5.1
73.02936	1.1
73.77980	1.0
80.03622	0.9
83.01395	2.3
85.02939	9.6
87.00877	3.9
89.02443	98.0
95.01382	2.2
98.53934	0.9
101.02431	23.2
113.02451	16.6
116.92845	10.0
117.92893	1.0
119.03503	13.3
120.60802	1.1
121.02977	1.4
131.03513	3.9
143.03514	2.1
149.04578	1.4
154.16129	1.1
161.04564	6.5
163.11330	4.4
168.74101	1.0
169.08804	1.5
176.10413	0.9
179.05606	23.4
227.51683	1.2
277.25818	1.0
279.23306	63.6
280.23587	2.0
283.17014	1.7
361.23688	1.2
369.31613	1.1
377.43103	1.0
459.29315	2.0
459.34833	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	460.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.4
60.01723	0.3
62.39502	0.2
71.01386	5.2
71.02052	0.2
72.00916	26.3
72.99292	0.3
73.02966	2.3
74.02477	28.7
75.00867	0.4
85.02944	0.4
87.00882	2.4
89.02453	9.0
92.11762	0.4
98.02518	0.4
100.76289	0.3
101.02438	2.9
103.00339	0.4
104.03530	1.5
110.62572	0.3
113.02439	2.3
116.07154	1.3
116.92881	0.5
117.01934	3.4
118.02299	1.2
118.05099	100.0
119.03493	8.4
119.05435	0.5
131.03465	0.3
133.01120	0.3
142.89961	0.3
155.52788	0.3
161.04565	0.5
179.05537	2.4
256.47049	0.3
341.10913	13.5
342.11264	2.4
343.11484	1.9
410.17282	0.4
460.17444	0.3
473.98126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67031	0.4
53.06052	0.4
55.95462	0.4
58.67407	0.4
59.01381	3.1
61.98832	100.0
62.85268	0.4
70.88798	0.5
71.01395	0.6
71.34430	0.5
73.02930	0.5
74.40279	0.5
84.80336	0.4
85.02930	0.8
89.02414	0.5
96.95985	1.8
103.51413	0.5
113.03522	0.5
114.72568	0.4
116.92850	4.2
117.92882	3.6
126.18243	0.5
149.02397	0.5
150.03224	0.8
165.05557	1.1
176.15575	0.6
195.06696	0.5
310.77637	0.5
325.95068	0.6
334.21127	0.5
406.32651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92493	0.3
53.25870	0.3
58.64099	0.4
61.98835	100.0
69.58338	0.4
79.40778	0.4
92.12397	0.9
97.43938	0.4
116.92889	0.9
121.02943	0.7
161.73911	0.5
199.25377	0.4
247.76776	0.4
261.30435	0.5
281.51291	0.5
389.44699	0.4
442.60895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98837	100.0
64.84060	0.1
100.60471	0.1
106.72382	0.1
110.78867	0.1
112.27404	0.2
191.21078	0.2
257.37985	0.2
287.02118	0.2
394.34705	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
61.98835	100.0
62.66562	0.3
67.65111	0.3
84.25497	0.3
87.27710	0.3
92.00203	0.3
101.35821	0.3
115.31386	0.3
116.47376	0.3
116.92882	0.4
128.94156	0.3
129.93300	0.3
231.88522	0.3
286.24948	0.4
410.16595	0.4
485.31067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.1
56.34739	0.5
56.40601	0.5
57.03451	1.6
59.01389	16.4
59.21180	0.6
61.34118	0.7
71.01384	45.8
72.99268	0.7
73.02950	16.4
75.00875	1.1
81.03471	0.8
82.10101	0.7
83.01382	4.4
83.91566	0.6
85.02946	23.3
87.00870	0.6
88.41312	0.6
89.02441	9.5
93.03448	1.2
95.01355	2.6
96.96024	2.2
96.96951	0.8
97.02962	2.7
99.00880	15.4
99.04479	0.7
101.02439	18.8
101.53030	0.8
108.02155	5.8
109.02953	6.9
113.02447	19.1
116.92854	6.5
117.92885	1.5
118.92667	3.2
119.03503	0.8
121.02943	3.9
122.03734	100.0
123.04523	58.3
123.05256	0.9
125.02505	0.8
131.03481	0.9
135.04552	0.8
137.02454	7.4
137.06070	2.4
143.03484	1.2
149.02475	1.5
150.05556	0.6
159.02985	4.0
161.04565	20.1
165.05582	7.8
169.37933	0.6
177.05603	4.2
193.05460	1.2
211.16119	0.8
228.68512	0.7
281.12933	0.6
285.09824	13.0
308.80212	0.7
417.14059	38.4
443.11984	2.5
456.88477	0.8
461.13095	76.1
462.13318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00471	0.8
55.01871	3.8
57.03456	5.4
58.00594	0.9
59.01386	68.8
69.03443	1.9
71.01380	48.3
72.99312	1.2
73.02946	14.2
75.00860	1.1
83.01392	8.3
85.02469	1.1
85.02950	25.8
87.00888	3.2
89.02439	23.6
92.11723	1.7
95.01357	1.9
96.95997	4.1
97.02946	1.6
99.00867	7.0
101.02435	37.1
111.00881	7.3
111.64906	0.9
113.02448	15.0
115.04021	1.1
119.03516	0.8
125.02433	4.4
131.03482	12.0
143.03490	3.2
149.04575	4.2
159.03006	1.9
160.25374	0.7
161.04526	11.6
220.04285	0.9
233.06616	1.2
269.10345	20.9
293.08716	1.2
358.48227	0.8
401.14526	100.0
402.15067	3.8
447.91623	0.8
451.93011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82490	1.8
58.00605	3.3
59.01389	98.1
71.01385	88.0
72.99287	1.8
76.06161	1.5
78.95908	7.1
83.01385	1.9
85.02949	10.0
87.00871	3.2
89.02443	100.0
91.18686	2.2
95.01337	1.8
101.02440	21.9
113.02442	21.8
119.03508	12.8
149.04578	2.2
161.04559	4.0
179.04167	2.1
179.05620	19.4
190.55917	2.2
201.26886	1.7
281.24896	39.6
362.87366	2.1
400.33353	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03449	0.4
55.01871	3.5
57.03197	1.0
57.03455	20.8
59.01372	2.9
59.78529	0.5
60.22634	0.4
67.01869	0.6
68.99806	0.6
70.93022	0.5
71.01379	4.1
72.99290	2.6
73.02941	0.8
75.00887	0.5
81.08613	0.6
83.01381	6.5
84.02157	2.4
85.02945	100.0
87.00843	0.6
91.01882	3.3
96.95987	8.0
99.00907	0.5
101.02421	0.6
108.02148	3.3
109.02929	0.7
111.00880	13.1
121.02946	27.2
123.04512	13.6
124.01611	1.1
129.01933	37.6
130.02283	0.6
133.06589	3.1
135.04543	1.0
145.01358	0.8
147.02986	7.7
152.01138	3.8
161.06075	1.9
164.24364	0.5
167.03493	20.3
173.00923	8.8
183.52235	0.6
189.05566	4.3
191.01912	2.9
192.04280	0.9
235.06192	4.3
251.05640	5.3
295.04590	2.7
297.06039	5.8
313.05661	3.4
341.05072	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	463.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28558	0.4
53.27465	0.4
55.01886	5.2
57.03453	30.8
58.21651	0.4
59.01382	3.7
65.00312	0.8
68.99819	0.8
71.01369	4.5
72.99307	5.5
73.02924	1.8
75.00873	0.9
83.01382	7.2
84.02146	1.1
85.02945	100.0
86.03302	0.8
87.00858	0.6
91.01877	7.8
91.35252	0.4
98.21309	0.5
99.12755	0.4
101.02435	1.9
107.01402	0.4
108.02155	5.3
109.02951	0.9
111.00874	11.9
113.55460	0.5
121.02939	22.7
123.04507	25.9
124.01630	0.6
129.01929	53.1
130.02330	0.5
131.05052	1.0
133.06586	6.2
135.04529	1.8
145.01421	0.5
147.02977	4.7
151.00359	0.7
152.01155	6.0
159.04472	0.8
161.06023	4.2
167.03487	43.1
173.00919	11.2
189.05608	6.2
191.01967	3.5
235.06120	3.8
243.02943	0.7
251.05592	11.8
255.02986	2.0
259.45309	0.5
271.02423	4.2
288.16162	0.5
288.24823	0.5
295.04639	2.0
297.06152	4.1
300.02759	4.9
301.03528	2.4
301.07007	0.7
307.54333	0.5
313.05832	2.3
315.21899	0.6
341.05084	3.2
463.08755	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	463.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68849	0.4
52.14240	0.4
53.11312	0.4
55.01889	5.5
57.03460	22.2
59.01392	4.5
62.50510	0.5
65.93707	0.4
68.79707	0.5
71.01410	4.2
72.99301	2.1
73.02968	1.0
75.00873	0.9
80.66789	0.5
83.01385	6.9
84.02173	1.2
85.02958	100.0
87.00865	0.9
91.01889	2.8
92.11737	1.1
101.02428	1.7
104.15956	0.5
108.02167	2.8
111.00874	15.0
121.02953	18.2
123.04521	14.5
126.61435	0.7
129.01935	19.9
131.05003	0.8
133.06567	3.6
135.04530	1.2
140.82178	0.6
147.02997	4.5
152.01205	2.8
159.04463	0.7
161.06068	4.0
164.71341	0.6
167.03493	23.9
173.00929	6.8
189.05569	4.7
191.01952	2.3
200.39966	0.5
210.98248	0.5
223.42117	0.5
232.54738	0.5
235.06036	4.3
251.05598	5.1
295.04648	2.0
297.06110	3.7
313.05722	1.2
341.05203	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	463.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	5.8
57.03455	28.3
57.86847	0.4
59.01394	1.8
60.48016	0.4
71.01384	2.8
72.99303	2.4
73.02959	1.0
75.00854	0.8
83.01386	6.2
84.02154	2.0
85.02946	100.0
87.00899	0.9
91.01903	2.4
108.02144	3.8
109.02989	0.7
111.00870	12.2
121.02943	31.0
123.00903	0.8
123.04510	10.8
124.01691	0.8
129.01929	38.1
131.05095	0.6
133.06607	2.8
135.04538	0.9
147.03004	7.6
152.01175	4.8
161.06099	1.3
162.13657	0.6
166.02747	0.6
167.03497	18.7
170.72989	0.5
173.00877	7.6
189.05602	3.6
191.02034	3.3
191.72537	0.6
192.04294	0.7
192.41905	0.7
204.13800	0.5
210.14407	0.6
212.58191	0.6
233.04494	0.7
235.06090	5.7
251.05600	4.0
295.04846	1.8
297.06198	5.9
313.05643	3.8
330.67856	0.6
330.83972	0.6
341.05157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71278	0.3
51.90439	0.4
54.87849	0.4
56.98044	1.8
57.03467	0.7
59.01393	4.2
63.97667	0.3
66.08408	0.4
69.03434	0.5
71.01387	1.0
81.03445	0.6
85.02939	3.0
87.92534	2.2
88.04031	0.5
89.02435	1.9
95.01366	0.8
96.96030	3.3
101.02448	0.6
103.92043	3.6
104.92805	0.9
105.00130	0.5
113.00665	3.2
119.03594	0.5
121.02991	0.5
122.06079	0.5
123.00893	9.5
123.94614	2.0
124.01659	31.8
124.04031	1.0
125.02447	29.2
129.92336	0.8
137.02446	0.7
145.96692	2.4
149.99593	43.8
151.00337	1.1
156.04927	0.7
161.01106	0.5
161.96202	0.6
167.03490	1.1
168.00650	100.0
169.01387	4.1
176.97382	0.5
199.94170	0.8
201.13193	0.5
218.10387	0.6
244.02771	3.8
244.15645	0.4
264.77567	0.5
271.01566	2.8
331.06680	3.0
443.93192	0.5
454.42722	0.6
458.83844	0.5
463.10977	76.9
464.11041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04591	0.9
55.01883	2.7
57.03458	28.5
59.01143	1.5
59.01387	22.3
63.73005	1.1
71.01378	8.0
72.99307	1.9
73.02952	1.6
83.01372	6.0
85.02950	100.0
87.00859	1.4
89.02467	1.5
91.01906	1.8
99.04519	1.7
101.02457	1.9
108.02170	2.2
111.00863	16.9
119.05023	2.6
121.02946	25.4
123.04507	9.8
129.01010	1.4
129.01936	30.0
133.06563	1.4
146.95511	1.3
147.03000	6.9
152.01173	1.7
167.03502	18.9
173.00972	9.1
173.02234	1.2
184.85222	1.2
189.05618	2.2
191.01787	1.2
235.06136	1.4
251.05627	2.4
295.04633	1.9
297.06158	6.0
313.05533	1.4
357.80463	1.3
390.85709	1.3
403.17261	2.8
463.17175	10.6
463.25192	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	463.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38482	0.3
55.01892	0.7
56.00547	0.3
57.03210	0.3
57.03456	2.8
58.00593	0.4
59.01389	11.5
60.99012	0.7
60.99313	16.4
66.52525	0.3
71.01374	5.0
72.99310	1.5
73.02939	1.3
83.01386	1.3
83.05045	0.5
85.02956	6.2
87.00896	0.7
88.98803	100.0
89.02438	8.3
92.11668	0.7
96.52881	0.4
99.04521	0.4
101.02446	4.5
109.02969	0.5
111.00858	0.5
111.04501	0.4
113.02450	1.9
119.03488	0.7
121.02934	1.3
123.04544	0.5
125.02512	0.5
126.29474	0.3
129.01939	1.7
167.03484	1.6
187.32578	0.4
199.07639	0.7
225.14897	0.5
237.18617	1.5
241.08667	0.5
244.07443	0.7
259.09717	0.9
265.18201	0.6
283.19052	0.5
301.20294	5.4
373.18784	2.2
373.28366	0.4
415.38803	0.4
463.25583	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45849	1.5
58.82021	1.5
59.08117	1.4
59.45620	1.5
68.36526	1.7
78.95899	8.7
79.41852	1.5
83.84799	1.7
85.02946	2.7
86.03362	1.6
95.41148	1.8
110.98551	9.5
159.13831	1.9
167.01140	3.7
174.11566	1.9
185.02263	2.9
195.13908	29.1
277.21677	27.3
295.19455	3.5
295.22821	100.0
397.67838	1.7
463.24783	32.3
463.56216	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80165	0.2
55.01887	2.2
57.03242	0.2
57.03456	3.8
59.01385	15.4
61.98820	0.4
69.03461	0.3
71.00993	0.4
71.01381	10.7
71.32033	0.3
72.99304	4.5
73.02950	4.6
75.00847	0.4
83.01385	4.3
83.05027	2.6
84.02145	0.3
85.02945	12.6
86.00095	0.4
87.00867	1.0
89.02454	2.4
91.01881	0.3
95.01384	0.6
95.20726	0.3
97.02923	0.3
99.00879	1.7
99.04507	0.7
101.02441	10.2
107.01371	0.5
111.00867	1.9
111.04510	3.0
113.02460	3.2
119.03480	0.5
121.02944	1.6
123.04511	0.6
125.02386	0.4
129.01927	2.3
151.00394	1.4
161.04558	0.4
164.04803	0.7
167.03513	1.6
173.00899	0.3
179.07175	0.4
219.17613	0.4
234.79744	0.4
237.18619	1.6
251.05731	0.3
254.59233	0.3
283.19135	0.6
297.06302	0.3
301.07132	2.5
301.20245	4.4
313.85910	0.3
330.36578	0.3
427.19641	1.6
445.24710	2.0
463.25568	100.0
464.25894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.8
59.01388	87.8
61.98834	18.4
67.47034	1.6
71.01365	7.4
78.95902	22.1
83.01364	2.0
85.02946	9.8
89.02451	2.3
91.04012	7.1
92.12399	5.5
96.96889	1.7
99.04508	1.9
111.00903	2.1
128.60907	1.5
139.11305	2.8
152.99586	38.1
171.10207	12.7
193.50774	1.5
206.51843	1.8
211.13426	18.5
229.14453	13.8
309.24442	1.6
311.22278	10.1
319.94629	1.5
329.23352	100.0
377.21582	2.1
419.22931	8.5
420.38013	1.7
441.22961	6.0
463.21100	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	463.3434
Annotation	2,3-Diepicastasterone
Peak:m/z	Relative Intensity
50.06109	0.3
55.01881	1.9
57.03476	0.4
59.01398	2.6
61.98827	0.4
64.90281	0.4
65.69899	0.3
69.03474	0.6
71.01381	0.8
80.64764	0.4
87.00829	0.5
91.05517	0.4
95.01337	0.6
95.05013	0.8
107.05022	2.1
109.02925	1.4
111.04453	0.4
115.01154	0.3
121.06534	0.5
123.00832	0.4
123.08150	15.1
124.01638	7.1
125.02438	3.4
125.06029	0.4
135.04489	0.4
137.02437	18.6
138.03192	2.3
151.04005	0.8
153.05557	1.4
163.25175	0.3
165.01894	0.4
177.05577	1.4
403.32349	2.0
419.41895	0.4
420.32242	0.4
421.33298	58.4
422.33670	2.3
434.58548	0.3
463.34335	100.0
464.34467	4.7
477.77805	0.4
479.85291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80307	0.4
57.03448	0.9
58.00585	0.6
59.01383	30.0
62.61718	0.4
71.01380	23.8
72.99302	1.0
79.05502	0.7
83.01391	0.5
85.02946	2.0
87.00874	1.0
89.02436	27.1
90.75098	0.5
95.01360	0.5
101.02441	6.3
102.22991	0.5
107.04981	0.7
107.08644	0.7
107.89384	0.5
109.06551	0.6
113.02446	4.3
119.03483	3.5
121.02917	1.1
122.03729	2.3
123.04514	32.6
123.08121	1.1
125.02496	0.5
131.03522	0.5
133.06563	2.0
135.04504	6.0
136.05286	33.3
143.03465	0.8
146.17780	0.6
151.07664	3.1
161.04619	0.9
170.85847	0.5
173.39233	0.5
179.05594	5.6
227.20137	0.9
267.26880	2.0
283.26450	9.5
370.81201	0.6
419.35349	100.0
420.35663	3.3
421.33572	0.8
463.34225	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	463.343
Annotation	7-Oxateasterone
Peak:m/z	Relative Intensity
52.32128	1.0
56.55617	1.2
59.01389	10.3
66.83969	1.3
76.32436	1.2
87.00928	1.2
89.16459	1.3
107.05055	2.0
123.04508	22.4
123.08143	16.8
124.01619	4.7
125.02412	2.8
133.06624	1.7
135.04497	4.7
136.05293	20.6
137.02443	19.9
138.03204	1.2
139.03880	1.2
151.07672	1.6
153.05577	5.5
177.05539	8.3
180.04333	1.4
195.06665	2.4
231.47136	1.3
402.85059	1.2
403.23727	1.4
403.31958	1.5
419.35318	58.1
421.33243	36.7
435.34827	5.0
463.34326	100.0
464.34714	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	464.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30914	0.3
58.42965	0.3
59.01388	6.0
61.98837	100.0
64.57536	0.3
71.01415	0.3
78.95909	4.4
81.39985	0.3
82.55753	0.3
89.02415	0.5
91.04016	0.6
120.32768	0.3
152.99562	3.1
153.99924	0.4
171.10310	0.5
211.13437	0.4
212.13805	0.4
229.14563	0.7
298.46323	0.3
311.22278	0.4
312.23138	0.3
329.23389	3.8
330.23755	4.0
375.97263	0.3
385.71149	0.4
390.12491	0.3
397.82620	0.4
406.04431	0.3
466.79657	0.3
477.48138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59272	0.2
59.01382	2.3
61.98835	100.0
73.02903	0.2
78.95901	2.3
85.02959	0.4
114.90895	0.2
115.94269	0.2
121.03004	0.2
152.99582	2.1
181.43872	0.3
323.21750	0.3
400.79535	0.2
464.21683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.3
55.70934	1.0
57.03452	2.0
59.01384	72.3
60.99304	7.2
61.98832	19.5
70.02973	1.6
71.01377	30.4
73.02950	22.1
73.76699	1.0
78.95899	62.8
83.01373	7.2
85.02948	15.2
86.02482	2.3
87.00882	1.4
88.98801	32.3
89.02436	8.7
95.01379	1.0
96.96926	1.5
99.00862	9.2
100.04050	6.8
101.02435	29.4
113.02439	15.9
116.05049	22.3
125.02425	2.0
125.03474	1.3
126.01976	34.1
128.34425	1.2
130.08727	39.8
141.10347	2.5
143.03551	1.6
143.11897	9.5
152.99590	1.6
159.02919	1.3
161.04572	8.5
169.09798	13.8
169.13472	14.7
182.08244	1.5
185.12935	2.7
213.12405	8.5
232.77144	1.3
255.07855	5.6
257.11450	36.5
259.77863	1.3
273.17075	1.5
285.12659	1.7
291.18176	21.9
386.17249	100.0
387.17627	8.5
405.21268	2.9
411.16745	14.2
423.22385	48.5
465.14539	19.9
465.23419	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3223
Annotation	tetraHCA
Peak:m/z	Relative Intensity
57.03483	2.4
57.19567	2.2
60.03396	2.1
60.99324	3.0
76.89551	2.6
79.51984	2.2
81.03451	6.2
83.05025	19.7
85.64317	2.6
92.12415	6.8
96.96012	11.8
107.05728	2.3
109.02958	3.7
109.06554	3.2
109.31599	2.4
111.04524	62.2
117.94136	2.8
120.80825	2.5
123.40595	2.4
126.03173	3.0
126.59810	2.4
127.04027	10.2
128.07797	2.9
137.02477	5.7
155.07144	3.5
171.55853	2.9
176.03734	2.6
249.26042	2.5
282.12402	2.6
349.34818	11.9
359.33081	11.2
369.90320	2.8
377.34268	52.2
380.23956	2.6
403.32199	100.0
411.44193	3.3
421.33292	44.6
465.32068	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2943
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
52.95343	0.9
55.91505	0.8
61.98832	3.7
78.95907	18.4
95.18158	0.8
110.92931	0.8
112.94965	0.9
116.92833	3.8
140.01184	5.2
152.99597	1.1
196.03766	7.9
214.04897	1.1
269.24872	100.0
289.09033	1.0
311.60815	1.0
371.49179	0.9
466.29391	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	467.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03455	100.0
59.01385	35.0
59.01688	1.1
69.03439	3.0
71.01380	14.1
71.05010	6.8
71.17804	0.5
73.02950	7.2
81.03453	1.2
83.01384	4.5
85.02924	6.3
87.04504	1.1
89.02438	3.8
94.25704	0.6
95.01371	1.4
96.96000	4.4
97.02946	16.3
99.00835	1.0
99.04513	63.2
101.02435	22.7
101.06071	3.8
113.02449	5.7
115.04009	6.7
115.07617	1.2
117.05566	9.8
119.03499	1.3
123.04498	1.2
125.02435	96.6
143.03491	3.5
161.04576	6.1
161.08191	55.2
203.05705	4.8
243.08818	1.5
281.32614	0.7
305.08817	10.9
305.16260	1.0
323.13354	3.2
323.17099	2.4
329.08862	4.9
365.14401	1.1
369.11923	1.4
431.12027	14.3
463.96130	0.7
467.17096	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	467.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85013	1.5
57.03465	49.4
59.01394	38.0
71.01393	8.3
82.41005	1.6
89.02442	1.7
99.04517	22.1
100.25662	1.7
101.02438	12.9
113.77380	1.7
117.99510	1.6
125.02470	8.5
145.07744	11.2
160.06415	23.4
161.04582	9.1
161.07198	70.4
175.08751	54.9
175.10156	2.5
187.08781	9.7
189.06705	100.0
198.77141	1.6
201.10394	11.1
203.08292	46.8
203.11963	8.8
204.59137	1.8
209.72015	1.6
225.83376	2.0
229.09775	31.5
305.11469	64.4
323.12534	96.5
365.13660	13.8
405.16708	2.3
418.91641	2.0
467.16742	2.7
485.35339	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	467.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74861	2.0
56.11090	2.2
72.30409	2.2
77.75816	2.2
84.00419	4.6
84.00909	100.0
129.85721	2.4
141.06969	2.7
235.41077	2.7
272.59634	3.1
309.31677	39.3
355.32266	73.0
390.19330	2.7
401.34995	2.8
457.67490	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	469.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78466	0.6
59.01372	1.1
59.05489	0.7
67.01906	0.8
71.01366	1.0
79.05522	1.7
80.00963	0.6
93.03465	2.5
95.01385	2.7
96.96008	1.3
97.02743	0.8
105.03455	3.0
107.05014	3.5
109.02960	9.8
119.05017	1.2
121.02959	6.5
122.03734	4.3
123.04517	50.8
133.02931	4.4
134.03722	1.5
134.51804	0.8
135.03683	0.8
135.04543	14.1
136.01682	1.3
137.02444	5.1
148.01662	1.1
149.02451	13.6
150.03224	15.1
151.04005	21.8
161.02437	2.7
163.04005	25.6
165.05583	1.3
167.03494	1.1
175.39812	0.8
177.01929	3.9
178.02721	4.1
179.03401	1.0
181.05113	7.4
182.02304	1.5
189.02013	0.9
205.01393	3.2
206.02092	1.0
207.02997	3.2
208.03859	1.3
219.03091	0.9
235.02444	1.2
239.07121	3.6
241.08768	5.8
243.06519	6.7
251.06944	0.9
255.06575	1.2
257.08212	12.0
267.06757	0.8
269.08215	7.5
271.06100	1.2
281.08109	1.7
283.06100	1.4
285.07718	52.7
297.07700	12.1
299.09296	1.1
313.07224	62.9
315.08792	19.3
325.07211	1.0
343.08255	27.2
355.08371	1.4
415.10263	1.5
433.11441	100.0
434.12039	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	469.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.1
57.42385	0.4
59.01108	0.5
59.01388	11.6
61.98825	2.7
71.01382	5.0
71.04999	0.5
73.02943	0.9
79.95737	0.8
82.95424	10.3
83.01365	0.8
85.02950	2.9
88.04026	0.8
89.02437	5.1
96.96002	100.0
98.95576	1.0
99.04491	1.8
99.89873	0.5
101.02433	3.9
113.02445	2.7
119.03519	2.3
119.04955	0.6
120.01746	0.5
125.02473	1.1
135.10258	0.5
137.06075	0.7
161.04529	0.5
163.04102	0.5
165.12831	5.7
166.99878	0.5
178.08594	0.6
182.02238	2.0
197.04576	2.3
209.11807	4.6
227.12859	4.6
256.22937	0.5
282.13150	0.5
289.07761	0.6
323.20126	0.5
369.10114	0.5
389.18170	7.3
392.35461	0.5
409.17358	1.8
431.15735	1.0
433.13287	0.8
469.13904	70.1
470.14084	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	469.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47873	2.3
58.00597	3.4
59.01393	4.7
62.39737	2.7
71.01364	3.8
73.02946	5.6
78.54435	2.5
78.95904	5.5
79.62296	2.7
83.01392	3.4
89.02468	5.3
89.97325	3.0
93.95009	3.1
111.33152	2.9
114.93384	28.8
117.01935	95.4
128.33028	2.7
141.01938	15.1
155.79013	3.1
163.11313	4.5
177.09161	5.2
189.04041	13.5
279.23291	100.0
285.93600	3.6
293.25201	3.8
385.15039	4.2
469.28281	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	470.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12193	0.1
57.03433	0.2
59.01110	0.4
59.01387	7.1
70.01154	0.1
71.01384	3.4
79.56953	0.2
82.02972	0.4
83.01378	0.2
84.04576	0.3
85.02944	1.0
87.00865	0.2
89.02440	7.3
101.02435	3.3
102.57283	0.2
107.13410	0.2
113.02445	2.1
114.05618	1.2
119.03493	2.6
127.05170	0.2
128.03532	100.0
128.07196	3.6
129.01932	1.2
129.03880	0.2
131.03476	0.2
161.04605	0.2
179.05629	2.0
341.10928	10.8
470.15790	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.6
57.03455	26.0
59.01386	4.6
67.01876	0.6
71.01380	4.2
72.99285	0.7
73.02934	1.4
82.95419	66.3
83.01385	6.1
83.04984	0.7
84.02168	1.6
85.02952	100.0
87.00887	0.9
89.24736	0.7
94.70368	0.7
99.04516	36.3
101.02431	0.9
111.00890	15.9
121.02948	11.8
123.00878	2.7
123.04484	1.6
129.01933	34.5
138.03169	1.0
139.00359	3.1
139.04053	1.0
147.03003	6.3
147.04465	0.6
149.02431	1.0
149.08646	0.7
153.05577	7.2
162.03264	1.3
163.03949	1.6
167.03508	3.1
167.07089	3.0
173.00903	7.8
177.10762	0.6
182.02220	2.3
186.18655	0.6
190.02737	2.9
191.01962	3.9
191.03526	2.8
197.02910	1.3
197.04573	10.7
229.07150	3.3
243.06628	0.8
265.07172	5.0
273.06155	5.4
291.07263	5.8
315.08746	5.3
327.07266	5.5
345.09738	1.3
386.16479	0.7
435.12952	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	471.114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64753	0.4
55.01889	4.3
57.03458	26.1
57.58474	0.5
59.01392	4.0
67.01888	0.7
68.99807	1.2
71.01384	3.2
72.99312	0.9
73.02979	0.9
82.95425	79.8
83.01395	8.4
84.02164	2.0
85.02959	100.0
87.00840	0.7
99.04519	38.2
101.02435	1.2
106.00663	0.6
109.02937	0.9
109.06647	0.6
111.00893	13.1
121.02956	9.7
123.00887	2.1
123.04560	2.4
128.03493	1.1
129.01944	35.2
129.05554	0.7
138.03221	2.0
139.00409	1.3
139.07639	0.7
145.01466	0.5
147.03024	7.3
149.02550	0.6
153.05586	6.8
163.04140	0.6
166.99733	0.7
167.03503	2.1
167.07152	3.3
173.00920	7.7
182.00435	2.6
182.02222	4.0
191.02002	3.8
191.03418	1.3
196.03767	0.6
197.02850	0.8
197.04556	12.0
197.08229	0.6
215.43996	0.7
222.05475	0.6
229.07141	2.2
265.07211	4.4
273.03555	0.7
273.06033	5.9
286.10336	0.7
291.07254	5.5
315.08859	2.4
327.07208	5.0
378.08109	0.7
435.12772	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	4.7
55.02127	0.4
55.02261	0.3
57.03463	22.5
57.49474	0.4
59.01397	3.6
61.98861	0.6
65.00323	0.4
67.01919	0.5
68.99813	0.6
71.01389	3.7
72.99304	1.8
73.02951	0.8
75.00864	0.4
77.98112	0.3
83.01390	7.4
84.02168	1.7
85.02953	100.0
85.32654	0.3
87.00877	0.9
99.00851	0.5
99.04517	15.2
101.02447	0.9
107.01384	2.0
111.00880	13.3
119.05027	2.3
121.02956	4.7
123.00896	0.4
123.04575	0.5
125.02470	0.4
129.01944	26.1
131.66081	0.4
138.03252	0.9
139.00388	0.8
147.02998	5.4
151.00372	5.4
153.05637	3.0
166.99927	0.5
167.03499	0.8
167.07120	0.8
169.01459	0.6
173.00952	7.1
182.02191	0.9
191.02020	1.6
191.63440	0.4
197.04550	6.2
222.05711	0.4
229.07266	0.9
265.07202	2.0
271.06119	6.6
273.06207	3.3
291.07193	2.7
313.05673	0.5
327.07248	5.5
433.11740	2.6
435.22226	0.7
486.66150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36889	0.3
55.01896	5.8
57.03461	30.7
58.24500	0.3
59.01394	3.7
68.99834	0.6
71.01386	3.6
72.99307	0.9
73.02940	0.8
75.97334	0.4
83.01401	6.8
84.02169	2.5
85.02959	100.0
87.00892	0.7
91.01903	0.5
92.65197	0.4
99.04518	29.2
101.02419	1.6
106.00585	0.8
109.02988	0.8
109.06572	0.6
111.00880	12.2
113.06106	0.6
119.05090	0.4
121.02952	13.3
121.06618	0.4
123.00869	1.7
123.04543	0.5
127.00420	0.4
129.01939	38.0
138.03204	2.1
139.00392	1.6
139.04034	1.4
139.07658	1.8
145.01469	0.6
147.03006	5.6
151.00465	1.2
153.05576	7.8
166.99901	1.7
167.03513	0.6
167.07138	2.8
173.00903	5.4
174.28976	0.4
182.02184	2.9
191.02026	2.2
197.02780	0.6
197.04570	14.0
229.07094	3.1
237.07709	0.6
265.07153	3.4
271.06134	0.6
273.06143	3.8
291.07220	5.5
327.07248	3.1
497.81229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80062	0.3
59.01384	0.9
61.98835	0.5
70.41089	0.3
82.95399	0.5
85.02956	1.5
85.06601	0.5
88.98802	2.2
89.02435	0.7
96.95997	4.2
96.96960	0.5
101.06069	0.5
107.58852	0.4
109.94109	0.4
120.01228	1.7
129.05573	100.0
130.39627	0.4
149.55559	0.4
179.05591	0.5
208.03767	0.4
302.79315	0.4
322.29843	0.4
341.10764	2.6
447.87421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82567	0.3
55.01881	1.4
57.03462	0.5
58.00594	0.7
59.01387	100.0
65.77292	0.4
67.11160	0.3
68.02966	0.3
68.79965	0.4
69.03466	1.6
71.01388	39.3
72.99323	2.0
73.02950	72.2
75.00877	0.3
81.03445	0.4
83.01394	13.5
85.02952	4.5
87.00889	0.4
89.02454	6.3
90.42416	0.3
92.11679	0.7
95.01420	0.6
95.94987	0.4
101.02439	43.2
113.02451	10.2
119.03471	3.1
120.74330	0.4
125.02436	0.9
131.03496	3.7
143.03488	2.7
149.04590	4.1
161.04546	8.8
161.05661	0.4
193.73280	0.4
200.91748	0.4
203.05630	0.7
221.06851	1.9
223.13483	0.5
336.00650	0.4
460.06134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
57.03451	0.5
58.00594	0.7
59.01390	100.0
65.16716	0.4
69.03466	0.4
70.41873	0.4
71.01385	36.1
72.99315	0.8
73.02950	80.9
75.00882	1.6
80.35947	0.4
81.03484	0.5
83.01391	16.2
85.02948	4.1
87.00872	0.5
89.02441	9.7
89.02956	0.5
95.01360	0.4
97.02946	0.8
99.00884	0.4
100.67197	0.4
101.02441	43.4
104.33687	0.5
105.54688	0.4
113.02451	11.2
119.03505	2.0
125.02428	1.8
131.03500	4.0
143.03485	2.9
149.04562	3.6
155.03523	0.9
161.04572	10.2
198.68008	0.5
203.05592	0.6
221.06683	1.8
223.13431	0.5
280.03714	0.4
316.06870	0.4
324.64047	0.5
339.34030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2008
Annotation	Terretonin A
Peak:m/z	Relative Intensity
51.33283	9.6
58.23594	12.0
59.01387	87.2
71.01389	18.2
85.02970	14.0
107.87598	11.6
300.57175	13.6
301.64661	14.9
356.82690	13.5
375.56967	14.0
436.02560	15.8
471.20078	100.0
491.04950	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	471.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38531	0.8
51.85160	0.9
59.01389	100.0
71.01366	5.3
73.02931	2.5
75.16146	1.2
85.02949	1.6
89.02451	1.2
96.96014	2.1
101.02443	2.0
104.76281	1.0
113.02440	1.7
117.03530	1.1
164.46986	1.1
227.95461	1.1
471.19955	7.2
494.87003	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.1
57.03455	5.3
59.01110	4.8
59.01384	91.8
71.01380	51.5
71.46301	2.0
72.99304	2.9
73.02943	26.4
75.00886	3.0
79.55469	2.4
82.37915	2.1
82.40173	2.3
82.95415	4.6
83.01374	16.6
85.02946	32.7
87.00845	3.1
88.98785	13.8
89.02436	12.3
94.19956	2.3
96.95996	25.9
97.02928	3.0
99.00877	5.5
101.02431	71.6
108.02122	2.6
109.02964	2.4
111.00784	2.6
113.02460	21.0
121.03011	2.9
125.02476	3.4
131.69780	2.3
143.03519	3.0
161.04541	24.2
163.06142	11.7
165.01901	3.2
202.25641	2.2
205.03442	2.8
223.06122	2.6
223.19296	2.4
244.26756	2.3
263.63480	2.7
265.12961	47.7
280.35773	2.3
373.64087	2.3
411.18741	100.0
446.29358	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	471.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46140	0.3
57.03466	0.4
59.01386	100.0
71.01385	2.5
73.02955	3.5
83.01392	0.5
85.02964	2.1
92.11709	0.5
92.52180	0.4
96.95990	0.6
101.02438	3.0
113.02493	0.7
115.19817	0.4
137.09781	0.5
145.02998	0.7
150.49655	0.4
161.04575	0.8
182.79758	0.4
215.54810	0.5
251.86729	0.4
392.62946	0.4
462.37482	0.4
471.20834	0.6
499.55066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57915	0.2
54.82812	0.3
59.01379	1.8
61.98834	0.4
68.18042	0.3
71.01353	0.5
79.59182	0.3
94.39728	0.3
101.02378	0.4
120.26716	0.4
138.41144	0.3
161.04591	0.5
193.07170	0.6
236.84293	0.3
236.89139	0.3
264.11609	0.3
277.21741	100.0
278.21991	1.1
281.24777	0.5
300.57751	0.3
440.65958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89586	0.6
57.73915	0.6
58.00600	1.1
58.02972	1.4
59.01388	67.1
61.12768	0.7
69.03458	1.5
70.02973	6.2
71.01381	44.0
71.02499	1.5
72.00912	1.2
72.99303	2.7
73.02943	5.6
73.09421	0.8
80.67066	0.7
83.01386	1.1
85.02946	6.9
86.06094	1.1
87.00879	3.0
87.04513	13.6
88.04037	8.5
89.02440	67.1
94.53514	0.7
95.01391	2.8
95.02499	4.3
100.93351	1.4
101.02441	24.0
107.03387	0.8
111.01997	0.7
111.60647	0.7
112.04022	1.2
113.02443	22.2
113.03564	21.6
114.01981	18.3
115.92088	11.4
116.07186	8.8
117.01943	5.4
119.03492	23.7
128.03523	7.2
129.01932	5.6
130.04144	1.4
130.05086	19.6
130.08734	66.0
130.94415	4.0
131.03497	23.4
131.04610	45.3
131.10500	0.8
142.80794	0.7
143.03531	5.0
149.04625	0.9
161.04497	5.3
179.05623	18.5
212.72746	0.7
281.08765	0.8
341.10904	100.0
342.11331	1.2
355.12509	3.1
362.28271	0.7
413.52631	0.7
453.55142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08043	0.4
55.23030	0.4
57.03455	1.2
58.00597	1.0
59.01383	60.7
66.59323	0.4
71.01379	39.4
71.20200	0.5
72.99307	1.8
73.02935	0.8
83.01393	0.7
85.02936	6.9
87.00883	2.4
89.02436	64.4
95.01379	2.0
97.02914	0.5
99.16391	0.4
101.02425	21.3
113.02445	20.4
113.32736	0.5
116.60368	0.5
119.03477	21.3
130.08725	68.5
131.03500	3.1
131.09079	0.5
143.03487	3.4
149.04567	2.1
161.04550	4.8
179.04276	0.7
179.05612	18.0
184.82272	0.5
207.27545	0.6
214.42892	0.5
217.27443	0.5
341.10898	100.0
342.11224	2.0
391.96423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1089
Annotation	Apigenin 7-(6'-ethylglucuronide)
Peak:m/z	Relative Intensity
53.91003	0.2
56.13335	0.1
62.85107	0.2
63.02401	2.2
63.27583	0.2
65.00320	1.5
83.01406	0.2
88.05565	0.2
91.01875	0.4
92.12388	0.2
92.66206	0.2
100.57997	0.2
106.89772	0.2
107.01393	2.1
117.03423	0.2
123.04486	0.3
132.02167	0.9
133.02959	5.5
135.00838	0.2
135.04524	1.0
155.05038	0.8
157.02946	0.4
157.06615	0.2
159.04491	2.0
169.06609	0.8
171.04587	0.3
180.05779	1.2
181.06599	1.3
183.04518	1.8
195.04517	0.2
196.05304	1.0
197.06071	1.0
199.04053	0.3
201.05569	1.7
209.06168	0.4
213.05672	0.9
223.04066	0.2
224.04829	2.0
224.31268	0.2
225.05580	1.3
227.03694	0.3
239.03506	0.4
240.04338	0.3
241.05067	0.3
253.05141	0.8
267.02979	0.8
268.03806	5.7
269.04562	100.0
270.04919	1.9
283.06061	0.2
291.06653	0.8
297.04126	0.2
311.05704	2.1
335.05627	0.2
422.37393	0.2
473.10919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45577	0.3
57.03454	0.5
59.01385	5.3
60.06916	0.3
62.50798	0.4
63.02395	1.4
65.00324	0.8
71.01389	0.7
72.99311	0.4
73.02941	0.4
73.23400	0.3
75.00847	0.6
82.51589	0.4
83.01374	0.5
85.02959	3.0
89.02439	0.5
96.96010	3.3
98.95575	2.4
99.00848	0.4
99.92564	2.2
101.02428	0.5
107.01363	2.6
113.02426	0.7
115.92051	2.0
116.92854	5.0
117.03451	3.3
120.21098	0.4
121.02972	0.7
123.04543	0.4
126.45950	0.4
129.01932	0.6
132.02159	1.6
133.02908	4.9
135.00824	0.5
135.04506	0.6
151.00354	1.8
155.05006	0.6
157.02942	0.5
159.04501	2.0
169.06543	0.7
176.01151	1.7
177.16588	0.3
179.10788	0.4
180.05807	0.5
181.06654	1.3
182.13190	0.3
183.04527	0.7
195.04523	0.5
196.05382	1.7
197.06067	0.7
199.04045	0.5
201.05554	0.9
211.03983	1.8
223.04002	1.5
224.04825	1.5
225.05568	2.0
227.03545	1.6
239.03516	3.7
240.04300	2.5
249.06096	0.5
267.03149	3.1
267.07285	1.6
268.03787	29.1
269.04562	100.0
270.04874	2.3
302.69333	0.4
311.05640	0.8
326.99103	0.4
329.86041	0.4
344.82733	0.4
357.85385	0.5
429.17676	0.9
473.10941	20.5
473.16397	1.4
474.11166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1109
Annotation	Apigenin 7-(6'-acetylglucoside)
Peak:m/z	Relative Intensity
56.46503	0.1
58.62596	0.1
59.01395	9.1
60.01722	0.3
60.49171	0.1
71.01395	2.4
73.02954	5.4
74.03276	0.3
83.01403	1.0
83.01834	0.1
85.02940	0.3
89.02431	0.7
92.65642	0.1
93.03450	0.5
95.01405	0.1
97.03017	0.1
101.02446	2.9
101.14822	0.1
102.02795	0.3
113.02454	1.0
117.03442	0.2
119.01331	0.2
149.04541	0.3
157.06645	0.1
161.04530	0.7
167.05069	0.2
169.06522	1.1
171.04553	0.5
173.06004	1.1
176.01167	0.2
180.05815	0.2
181.06606	0.6
185.06094	0.9
195.04593	1.1
196.05360	1.1
197.06064	2.2
199.04089	0.2
211.04013	0.6
212.04776	0.3
213.05618	2.7
217.05046	0.7
223.04007	0.6
224.04817	1.6
225.05618	1.8
239.03503	0.3
240.04305	3.6
241.05074	2.1
268.03784	3.8
269.04578	100.0
270.04868	1.7
270.15149	0.1
311.05612	0.5
387.16708	0.2
413.08871	3.5
429.17642	1.1
473.11020	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1091
Annotation	Apigenin 7-(6'-ethylglucuronide)
Peak:m/z	Relative Intensity
54.14962	0.7
57.16566	0.6
59.01385	37.5
61.98846	2.4
63.02398	0.7
65.00326	1.0
66.32758	0.6
71.01355	1.0
73.02937	1.0
76.54185	0.7
86.08552	0.8
88.04030	1.0
89.02427	1.2
90.09974	0.7
93.03448	3.0
101.02429	1.3
108.02176	1.1
117.03367	0.8
128.03554	0.9
132.02155	5.0
133.02937	4.9
135.00876	1.2
136.62625	0.8
137.02431	1.0
152.01131	0.9
153.01903	0.9
159.04543	1.4
176.01169	1.0
180.05835	1.7
181.06503	0.9
183.04587	1.3
184.05254	1.0
184.29562	0.8
195.04546	3.1
196.05258	0.9
201.05600	1.8
211.04089	7.9
212.04826	1.4
223.04016	1.9
224.04803	4.2
225.05663	3.2
231.10155	0.8
236.25359	0.9
239.03513	12.6
240.04309	3.1
267.03070	13.5
268.03793	77.4
269.04568	100.0
311.05496	1.1
473.10953	46.5
474.11212	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68924	0.4
51.14574	0.4
52.49670	0.4
57.03460	3.2
59.01386	3.5
65.08462	0.4
70.39004	0.4
71.01374	0.7
76.44234	0.5
81.03453	2.8
83.01383	1.0
85.02914	0.5
87.26698	0.4
87.61284	0.5
99.04493	0.7
101.02424	0.6
123.04517	26.4
125.02440	6.5
151.00333	2.1
167.03490	88.5
171.04575	0.5
185.05902	0.6
191.03636	0.7
195.04593	1.0
197.06079	2.5
213.05569	2.7
217.05083	0.7
224.04735	0.8
225.05602	3.0
240.04297	3.3
241.05148	2.1
269.04568	100.0
270.04855	0.8
329.08838	8.0
371.09772	2.6
473.12915	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	473.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41520	0.2
59.01376	1.3
67.55125	0.2
69.03445	0.4
70.02971	0.3
71.01396	0.8
71.02532	0.2
72.00899	0.3
73.02940	0.8
78.82628	0.2
85.75634	0.2
87.04510	65.1
88.04040	1.3
89.02441	0.9
90.18051	0.2
92.12467	0.3
95.02481	0.8
96.80765	0.2
97.51244	0.2
113.02451	5.7
113.03560	2.9
114.01970	3.3
115.00396	0.3
115.92092	1.5
117.01919	0.8
130.94415	0.5
131.03500	100.0
131.04549	7.6
132.02992	3.7
132.03824	0.5
158.30850	0.2
198.21230	0.2
199.83139	0.2
219.26251	0.2
225.07745	0.2
252.14110	0.3
341.11087	0.4
342.11383	0.3
388.00742	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
59.01385	100.0
59.29026	0.5
71.01385	19.1
73.02537	1.2
73.02943	32.7
82.95408	3.6
83.01373	6.8
85.02939	3.6
87.00864	1.4
89.02430	4.7
101.01774	0.9
101.02434	22.9
113.02435	5.5
119.03476	1.4
119.93084	0.7
125.02429	0.8
131.03458	0.9
143.03519	1.0
147.08157	1.0
149.02556	0.6
161.04533	1.4
163.11282	38.8
207.10355	1.1
257.38101	0.7
268.03806	3.6
269.04373	1.3
302.40848	0.7
317.93658	0.7
369.15509	3.4
387.16577	7.0
429.17697	84.4
430.17709	2.6
441.19733	0.7
473.11777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
58.00583	0.6
59.01393	100.0
71.01389	15.2
71.05002	0.7
72.81671	0.5
73.02955	22.7
83.01388	5.0
85.02937	1.3
89.02448	5.8
99.00863	0.6
99.04501	0.6
101.02437	14.8
108.02174	13.9
110.66934	0.6
113.02434	3.4
117.05591	2.1
119.03463	1.0
123.04516	8.5
127.16372	0.6
131.94223	0.6
145.89323	0.6
147.01945	0.5
152.01144	36.7
152.02351	1.4
163.11282	6.1
164.75534	0.6
167.03487	47.4
193.56065	0.7
207.10289	11.7
329.08698	2.2
369.15540	2.9
387.16678	10.6
429.17679	87.3
430.17676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82742	0.6
57.03439	1.2
57.52304	0.6
59.01388	100.0
71.01380	17.4
73.02950	27.0
82.95420	2.5
83.01384	5.4
84.95105	1.0
85.02943	3.1
87.00893	8.9
89.02436	4.0
92.11731	0.7
95.01381	0.6
95.05053	0.7
99.00853	0.8
101.02441	17.8
109.00558	0.7
112.93719	1.1
113.02469	4.7
119.03437	0.9
125.02454	1.3
131.03551	0.7
141.14250	0.6
147.08218	0.8
150.03226	1.0
155.03494	0.7
161.04591	1.0
163.11288	47.0
164.11635	0.9
165.05545	1.4
177.01851	0.8
183.11397	0.8
192.04320	1.1
207.06593	1.1
207.10204	1.1
225.07784	6.2
243.49629	0.6
246.54776	0.6
251.08139	0.6
369.15448	4.4
387.16577	8.6
429.17688	96.0
430.18097	4.2
448.92514	0.7
469.71826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
58.00595	0.8
58.56115	0.4
59.01385	100.0
69.03450	1.6
70.22877	0.4
71.01380	32.5
72.99316	1.0
73.02942	59.1
82.95409	0.4
83.01384	13.6
83.78820	0.4
84.95135	1.7
85.02949	5.3
89.02436	6.1
95.01395	1.8
98.47185	0.4
99.00888	0.4
101.02435	33.8
105.00392	0.4
113.02451	10.9
119.03517	2.2
125.02379	0.9
131.03474	3.4
132.47354	0.4
143.03520	2.9
147.03146	0.4
149.04584	2.1
155.03589	0.6
161.04549	8.0
163.11311	2.8
187.63576	0.4
207.10251	4.3
221.06711	0.6
250.61591	0.4
268.04123	0.6
269.04636	0.5
369.15814	2.6
387.16556	3.3
429.17685	20.7
430.18320	0.7
464.08572	0.4
474.60196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69632	0.2
53.06366	0.2
54.54971	0.2
55.66279	0.2
59.01388	100.0
83.01134	0.2
102.78879	0.3
116.61822	0.2
126.37949	0.3
127.82160	0.3
163.89516	0.2
291.42471	0.3
474.48682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.04750	0.2
63.02381	0.7
64.67821	0.2
65.00328	0.8
69.91109	0.2
71.01382	0.4
73.02947	1.2
80.79359	0.2
82.95453	0.2
83.01370	0.2
91.01906	0.8
93.03493	0.2
96.96024	0.2
101.02441	0.9
107.01352	1.7
116.07188	1.1
117.03442	0.2
121.02979	0.3
121.94719	0.2
128.02219	0.2
132.02168	4.5
133.02960	3.1
135.00912	1.1
135.04510	0.4
151.00377	0.4
153.01920	0.4
154.04259	0.4
156.05724	0.2
157.02988	0.5
157.06633	0.3
159.04512	1.5
165.09138	0.2
166.04300	0.2
167.04987	0.4
169.06589	0.4
171.04477	0.2
176.01167	0.5
180.05814	1.2
181.06596	2.0
182.03802	0.3
183.04510	1.8
184.05269	0.4
195.04544	1.3
196.05316	1.4
197.06039	0.8
198.03169	0.2
198.86497	0.2
199.04070	0.5
201.05586	1.6
204.88689	0.2
209.08194	0.2
211.04022	8.7
211.05984	0.4
212.04781	1.7
213.05551	1.2
213.07477	0.2
223.04028	2.6
224.04790	3.4
225.05644	1.7
226.02748	1.5
227.03406	0.3
239.03506	11.7
240.04263	3.7
241.04990	0.8
253.05125	0.8
267.03006	9.6
268.01489	0.8
268.03790	55.3
269.04550	60.4
270.04956	4.3
283.06061	0.2
311.05563	1.1
473.10931	25.9
474.11252	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	473.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33709	0.2
54.82314	0.1
55.34410	0.1
59.01376	0.8
62.38305	0.1
70.83351	0.1
73.02972	0.2
76.52787	0.1
79.68681	0.1
81.11202	0.2
83.04990	0.2
92.11707	0.2
103.33259	0.2
161.04640	0.3
185.32228	0.2
193.07204	0.8
197.68130	0.2
205.16077	0.2
254.71609	0.2
279.23315	100.0
280.23605	1.0
472.24121	0.2
473.27728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3277
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
50.68025	1.0
54.82769	1.1
58.64826	1.1
59.01381	3.2
61.98833	5.3
63.91212	1.1
69.03463	12.2
81.03449	1.5
84.56675	1.2
86.20308	1.2
105.61073	1.4
107.05023	8.2
109.06589	91.2
135.04515	1.4
163.49426	1.3
164.81664	1.4
205.15836	1.7
269.04697	1.5
317.28586	5.0
355.30176	5.1
357.31680	46.6
385.34845	20.9
411.32806	13.5
429.33798	59.4
473.32941	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	474.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03231	1.4
57.03467	22.6
59.01395	19.7
61.98832	1.6
68.36357	1.3
71.01382	8.5
72.99314	1.6
73.02943	3.1
74.57941	1.2
75.00860	1.7
84.72300	1.4
85.02963	16.7
86.00094	6.3
87.00880	26.6
88.04030	2.0
89.02444	1.5
94.62090	1.4
96.95992	2.6
99.00849	1.4
99.04512	1.3
101.02435	7.4
111.00867	1.8
113.02436	2.5
121.02928	2.3
122.06116	37.7
129.01917	1.6
132.03021	5.1
134.06114	2.8
136.07684	22.3
138.05652	1.6
150.05611	100.0
152.07193	7.4
162.05630	3.0
163.03952	1.6
164.07198	1.8
174.05640	2.9
175.06274	4.8
176.07166	12.0
188.10739	1.9
190.77286	1.4
191.01987	3.0
192.06723	1.6
194.08224	2.8
204.06627	2.5
209.02975	1.5
211.80124	1.4
241.59219	1.3
241.90054	1.3
312.10931	17.2
330.12015	39.4
354.11758	10.8
372.13022	26.0
394.15063	6.3
412.16260	13.1
430.18088	2.8
474.16351	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	474.2629
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
70.78780	0.2
76.70458	0.2
78.95903	100.0
84.22059	0.2
92.11618	0.4
96.96953	9.2
138.35548	0.2
140.01208	0.2
152.99585	13.9
171.00638	19.1
172.01050	0.2
195.51744	0.2
268.16336	0.2
352.21765	0.3
382.21460	0.4
398.40518	0.2
400.22522	1.5
474.26285	46.8
475.26581	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	474.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13185	0.2
53.79645	0.2
59.01385	6.4
61.68936	0.2
62.32515	0.2
62.96410	0.3
66.74866	0.2
69.54412	0.2
72.54428	0.2
76.57375	0.3
78.95908	28.4
84.75610	0.2
92.11712	0.7
106.53828	0.3
122.00113	1.3
129.50591	0.3
140.01189	8.3
143.89354	0.2
152.99580	2.3
159.18521	0.3
162.34593	0.2
166.02823	0.3
196.03821	12.4
209.95711	0.3
214.04924	2.9
233.22647	0.4
259.20789	0.4
275.20255	0.4
277.21744	100.0
278.22113	2.2
326.84589	0.3
474.26312	33.5
475.26498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95922	0.8
52.67783	0.9
55.01883	7.3
57.03460	8.0
59.01108	1.5
59.01387	37.8
63.02398	1.1
65.00333	5.1
71.01385	8.7
72.99295	5.1
73.02939	2.2
75.00866	7.2
81.03448	8.6
83.01387	16.0
84.02155	1.5
84.04084	1.0
85.02946	33.4
93.03454	66.0
94.03871	1.0
97.02942	1.8
99.04539	11.2
101.02396	1.5
107.01394	6.2
111.00891	22.5
115.05520	1.4
117.03478	1.1
119.05023	20.4
121.02959	57.0
125.02459	2.0
127.04025	13.4
128.03592	1.1
129.01924	16.1
131.05008	6.7
133.06592	23.8
135.04520	2.3
137.02452	100.0
143.05046	1.9
147.03041	1.6
151.00371	26.5
159.04544	1.8
160.42336	1.0
161.06058	11.8
165.04041	6.1
171.02998	8.6
179.10831	10.5
187.04080	1.8
189.05589	17.5
215.01945	4.5
227.07115	1.4
251.05591	6.6
252.04285	4.4
253.05064	15.8
271.06155	31.2
293.06772	1.9
294.20013	1.1
415.10324	2.3
475.12387	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	475.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01685	0.6
55.01891	9.6
57.03457	21.1
59.01391	20.9
63.02393	1.0
65.00337	1.4
67.01881	1.3
68.52504	0.6
69.03435	0.9
71.01389	5.4
71.05022	1.4
72.99297	3.1
73.02939	1.3
75.00870	1.2
81.03465	20.5
83.00928	1.1
83.01390	25.6
83.05001	0.7
84.02167	4.8
85.02953	76.5
87.00851	1.2
92.11776	0.8
93.03454	97.6
95.26807	0.7
97.02941	0.9
97.07990	0.8
99.00852	1.0
99.04519	21.2
101.02455	1.6
106.99426	0.7
107.01398	1.8
111.00883	37.4
113.02441	1.0
119.05042	10.0
121.02951	49.8
127.04020	22.5
128.03531	4.2
129.01947	31.5
133.02962	1.2
133.06610	3.6
134.03773	2.9
136.01660	1.2
137.02452	100.0
140.96016	0.8
143.05109	1.0
145.95883	0.8
147.03011	0.9
149.06050	1.1
151.00378	9.3
154.99875	0.9
157.06146	1.7
159.04521	3.1
161.06139	3.3
171.03008	12.2
173.00888	3.5
177.05574	3.9
184.50822	1.0
189.04031	3.2
189.05629	3.1
205.05136	8.2
215.02077	3.5
233.03015	3.1
251.05612	4.6
268.03717	1.2
269.04584	11.6
270.04880	15.7
271.06128	16.3
293.06854	1.1
295.04773	3.6
320.09320	4.3
321.09558	1.2
355.06595	0.9
475.12012	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	9.7
57.03454	22.7
59.01386	16.5
63.02396	1.1
65.00313	4.8
67.01900	0.8
71.01379	4.4
71.05019	3.1
72.99304	1.4
73.02940	0.8
75.00871	1.1
78.97009	0.7
81.03455	17.5
83.01387	27.3
84.02158	3.3
85.02949	69.8
93.03449	100.0
97.02956	1.0
99.04516	20.0
100.75319	0.8
101.02492	1.0
107.01392	11.4
108.02196	1.0
111.00877	39.3
116.15197	0.9
118.82955	0.7
119.05014	36.8
121.02953	45.6
125.02444	1.6
127.04008	23.4
128.03540	0.8
129.01939	31.5
133.06598	3.2
134.03798	1.3
136.01712	1.2
137.02440	96.5
145.02931	0.8
151.00362	37.3
151.01532	1.4
154.99849	1.1
157.06219	1.4
159.04538	1.6
161.06209	1.3
169.01364	1.2
171.02982	11.2
173.00893	1.1
175.00427	1.4
177.01949	2.0
177.05582	3.9
179.59613	0.8
189.04065	1.8
189.05550	3.8
205.05130	7.7
207.82108	0.8
215.01993	3.0
233.02927	2.0
249.04042	1.2
251.05698	3.4
252.04437	1.0
269.04590	9.2
270.04929	11.8
271.06152	51.4
293.03247	1.2
295.04675	1.9
313.07321	1.5
320.09155	1.5
324.75040	0.9
355.06525	1.5
475.12213	1.9
496.27933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1247
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
54.79150	0.9
59.01114	1.1
59.01388	21.3
61.85175	0.9
71.01377	7.4
73.02950	9.3
79.05531	6.7
83.01367	1.0
85.02946	1.8
88.98794	1.2
93.03449	4.8
95.01383	1.4
96.95998	1.5
101.02441	8.0
105.03455	4.8
107.05029	6.5
108.07730	1.1
109.02953	5.4
113.02477	1.3
121.02938	13.7
122.03722	6.6
123.04514	83.5
125.02464	4.5
133.02950	10.3
135.04498	7.7
137.02438	1.5
145.06601	1.3
147.04536	7.2
148.01698	5.9
149.02437	26.4
149.06111	6.2
150.03230	16.3
151.04010	25.7
153.30991	1.1
161.02423	3.9
162.03270	1.3
163.03998	13.1
165.05589	17.7
167.03496	2.4
173.06104	1.4
175.04012	12.1
177.01945	8.8
178.02797	2.4
182.02193	2.0
187.03958	1.2
189.05507	3.9
192.04292	1.5
193.05064	14.6
195.03012	1.2
205.01433	4.4
207.02975	1.5
209.11748	3.6
213.09352	1.1
217.05090	7.0
239.07185	4.9
241.08768	5.6
247.02443	1.1
253.05072	2.4
255.06671	1.3
257.08215	16.9
267.06659	1.8
269.08203	4.9
281.08310	1.9
283.09750	1.8
285.07706	50.4
297.07538	7.8
299.09247	10.9
309.07779	2.5
313.07214	100.0
314.07709	1.3
323.09470	1.5
325.06952	1.7
327.08914	8.6
337.07382	1.6
351.08850	1.7
355.08319	25.0
379.08252	4.4
397.09143	8.6
415.10278	15.8
431.19269	13.2
475.12521	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	475.1248
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
52.18055	0.7
56.68749	0.7
59.01383	20.2
70.94359	0.8
71.01371	4.9
73.02958	6.9
73.03285	0.7
79.05528	4.6
83.01405	3.0
85.02940	1.5
89.02435	1.4
92.11737	2.2
93.03456	6.3
95.01379	1.4
95.04997	0.9
101.02439	4.7
105.03470	4.2
107.05021	9.2
109.02912	4.9
110.51467	0.8
113.02439	1.1
114.39790	0.8
119.05008	2.0
121.02948	13.4
121.06548	1.2
122.03706	8.2
123.04507	78.2
125.02435	4.2
133.02939	10.0
134.03751	1.5
135.04541	6.6
136.01625	1.0
137.02475	1.8
145.06557	1.6
147.04536	5.9
148.01645	6.6
149.02429	24.8
149.06100	4.1
150.03218	15.7
151.03992	25.3
161.02428	5.7
163.03987	13.2
164.04774	1.2
165.05563	17.6
167.03529	3.8
171.54744	1.0
173.06081	1.1
174.03149	1.0
175.04012	12.1
177.01906	9.0
178.02728	5.9
179.03465	1.4
182.02177	1.5
189.05577	5.2
192.04237	1.9
193.05038	10.7
195.03000	1.1
195.08150	0.9
197.09688	1.0
203.03520	0.8
203.07150	0.8
205.01392	4.6
207.02884	1.1
209.11797	4.2
217.05067	7.2
219.03108	1.0
220.03741	1.2
239.07138	1.5
241.08641	7.1
253.04913	1.5
255.06586	2.0
257.08218	14.8
267.06601	4.5
269.08200	5.0
281.08090	3.9
283.05917	1.5
285.07703	57.6
295.06226	1.2
297.07755	9.7
299.09241	10.8
309.07687	4.7
313.07208	100.0
314.07684	1.4
323.09247	3.8
325.07230	1.2
327.08789	9.2
337.07285	1.0
343.08282	1.6
355.08258	26.4
369.09763	1.1
379.08234	3.8
387.10641	1.1
397.09366	7.6
415.10410	11.2
431.19208	13.5
475.12430	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	475.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06858	0.3
57.37286	0.4
59.01379	2.1
62.76641	0.4
63.02401	3.5
65.00027	0.6
65.00331	8.7
82.46964	0.4
83.01384	5.5
85.63909	0.4
93.03442	10.3
107.01394	17.6
108.02210	3.6
119.05025	52.8
121.02979	0.7
123.04517	0.9
125.02467	1.8
136.01648	0.8
145.02939	0.6
151.00378	54.0
152.01170	6.7
165.01939	2.0
167.03542	7.2
169.01428	3.3
175.00453	0.7
177.01958	6.9
187.03937	0.5
193.01466	0.6
203.00259	0.4
209.04633	0.8
227.06918	0.7
268.03748	0.6
269.04172	0.7
270.04733	1.1
271.06149	100.0
272.06421	1.1
305.49234	0.5
312.15463	0.5
313.07172	1.0
355.94611	0.5
415.10297	1.9
475.12527	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	475.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08034	0.1
53.87949	0.1
55.60867	0.1
58.05732	0.1
59.01385	10.2
62.67550	0.2
66.39064	0.1
70.95872	0.1
71.01375	0.2
73.02947	0.2
75.00114	0.2
85.02936	0.2
90.91878	0.2
91.01882	0.9
109.02981	0.2
123.04516	0.3
132.02147	2.1
133.03004	0.4
135.00876	0.9
142.13957	0.2
167.05013	0.2
169.06587	0.3
180.05898	0.2
181.06602	0.2
195.04518	0.7
196.05289	0.7
197.06081	0.4
208.05276	1.5
209.06032	1.4
223.03993	3.6
224.04811	2.8
225.05626	1.0
251.03493	2.6
252.04286	25.2
253.05072	100.0
254.05367	1.5
285.07684	0.3
295.05957	0.3
313.07285	0.4
343.08472	0.2
355.24155	0.2
389.18030	0.2
415.10376	17.8
416.10620	0.3
431.19278	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	475.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48753	0.1
57.03452	0.1
59.01385	1.6
62.85616	0.1
64.27084	0.1
71.01374	0.3
73.02926	0.2
81.03443	0.2
85.02939	0.3
89.02438	0.2
92.12379	0.3
93.03453	0.2
98.23244	0.1
101.02428	0.2
107.05034	0.2
113.02431	0.2
117.03474	0.5
119.05010	0.6
121.02915	0.1
128.03540	0.1
135.04541	0.2
141.07108	1.0
143.05035	8.1
144.05359	0.1
145.02971	0.8
157.04573	0.1
157.06604	1.7
159.08162	2.8
161.04335	0.1
181.06586	1.1
182.07391	2.2
183.08171	4.1
184.05298	0.2
185.06090	15.8
214.43253	0.1
225.05551	0.3
227.07169	100.0
228.07483	1.4
439.21970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.125
Annotation	Naringenin 7-O-beta-D-glucoside 6'-acetate
Peak:m/z	Relative Intensity
57.03461	0.3
59.01394	2.3
60.06698	0.2
61.98837	2.0
63.02406	5.3
65.00336	10.2
73.02969	0.4
75.64357	0.2
76.18656	0.2
80.02698	0.4
81.03453	0.2
83.00920	0.4
83.01386	7.5
85.02940	0.5
92.05048	0.9
93.03452	11.9
93.04042	0.4
93.05361	0.2
107.01389	23.1
108.02193	3.8
108.99291	0.2
109.02953	0.8
111.00877	0.2
115.87788	0.2
119.05019	48.2
120.05339	0.3
121.02972	1.5
124.01643	0.4
125.02471	1.8
126.00379	0.2
127.04067	0.2
136.01643	3.3
136.04063	0.9
137.02396	0.5
143.05051	0.3
145.02966	1.2
149.02396	0.3
151.00371	61.8
152.00787	0.9
161.06104	0.3
164.01176	3.7
165.01924	9.6
169.01421	5.0
177.01941	10.8
185.06067	0.5
187.04007	0.2
196.00148	1.5
197.06152	0.9
199.07582	0.3
206.58861	0.2
225.05544	1.0
227.07074	1.5
241.05064	0.3
243.06583	0.8
253.05159	2.1
271.06134	100.0
272.06537	2.5
313.07394	0.3
317.02505	0.3
380.21118	0.2
415.10114	0.2
433.10989	0.4
475.12485	31.9
476.12930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08287	0.6
54.82679	0.6
55.01880	1.5
57.03456	6.7
59.01393	7.2
61.77110	0.6
63.02405	4.0
65.00334	11.0
71.01361	1.0
72.99312	0.7
73.85324	0.7
81.03474	6.3
83.01403	15.9
84.02188	1.2
85.02967	19.0
88.13988	0.8
90.95885	0.6
93.03461	42.8
97.91011	0.7
99.04536	6.4
105.56687	0.7
107.01395	22.2
108.02152	1.3
111.00877	11.8
119.05023	74.5
121.02949	15.3
125.02452	2.8
127.04047	5.4
128.50125	0.6
129.01952	9.6
131.01369	1.2
133.06551	0.8
133.34142	0.7
137.02449	31.0
145.02975	0.7
151.00383	63.9
153.02055	0.7
161.06032	0.8
164.01155	1.7
165.01962	3.8
169.01421	1.2
171.03014	2.8
175.00352	5.7
177.01892	7.0
177.05606	0.7
187.04015	1.3
189.05539	1.1
193.01430	1.2
205.05084	1.2
227.07080	0.9
249.62636	0.7
252.78185	0.8
269.04602	2.9
270.04889	1.5
271.06155	100.0
272.06461	0.9
295.06039	4.4
313.07129	4.3
415.10355	3.9
449.11609	0.8
474.36609	0.8
475.12604	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04804	0.5
57.03441	2.3
59.01104	0.8
59.01381	11.6
63.46018	0.5
71.01377	2.8
73.02937	1.0
85.02935	3.1
85.04086	0.9
89.63110	0.6
93.03435	0.8
99.04522	1.0
101.02421	1.3
108.02168	37.3
113.02460	1.0
117.02657	1.0
117.03458	29.3
119.05021	15.9
121.02937	2.4
123.04514	16.1
128.03517	2.3
129.01929	0.8
137.02425	1.3
138.57655	0.5
138.68213	0.6
145.02953	100.0
152.01151	84.8
157.06218	1.1
159.04427	1.0
161.06085	0.8
163.04019	10.4
167.03490	80.2
219.73239	0.7
227.07088	0.6
230.96466	0.6
268.03696	3.6
269.04398	7.7
270.04700	6.5
271.05219	3.5
307.08258	55.9
308.08807	1.0
320.09213	1.1
342.52386	0.6
382.10925	0.7
397.54727	0.7
474.11627	0.7
475.12363	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	475.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.2
66.74328	0.3
71.01392	22.9
72.99316	5.3
81.80220	0.3
87.00895	2.0
87.04530	0.4
88.04057	2.9
89.02451	4.0
111.00875	0.3
113.03592	0.4
114.01936	0.3
115.00375	58.6
116.00743	0.4
131.04607	0.6
132.01340	0.4
132.03033	8.1
132.06645	0.7
133.01433	100.0
133.05070	17.8
142.38174	0.3
149.43359	0.3
247.12448	0.3
283.04626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93822	0.3
57.03444	1.5
59.01386	6.8
65.00323	0.6
71.01373	1.7
73.02950	2.4
81.03452	4.8
83.01376	3.0
85.02950	0.7
89.02438	0.4
94.04604	0.3
95.05007	0.5
96.96010	0.6
101.02435	2.9
121.02926	0.4
123.04514	38.4
125.02419	5.8
149.02483	0.6
151.00356	2.1
163.03947	0.4
167.03488	100.0
168.03827	1.1
170.46156	0.3
191.03526	0.4
209.04578	0.4
253.41762	0.3
296.80774	0.3
431.19128	3.3
475.14539	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	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27531	0.5
55.01879	0.6
57.03460	1.0
59.01388	100.0
60.01706	0.5
71.01382	16.9
72.99305	0.5
73.02946	12.0
82.21678	0.4
83.01406	3.1
83.11468	0.4
85.02944	5.6
85.51347	0.4
87.00876	0.9
89.02443	10.9
92.11721	0.6
95.01397	0.8
95.05048	0.5
96.96018	0.5
99.00880	4.3
99.58035	0.5
101.02435	13.8
109.02933	4.9
113.02431	4.8
119.03533	2.1
123.04510	1.9
125.02497	0.8
131.03517	0.9
131.34024	0.5
133.03004	1.0
135.00839	0.5
135.04517	1.1
149.02594	0.6
149.04608	3.2
151.04076	1.1
159.03049	0.6
161.04625	2.3
163.04050	0.9
174.56496	0.4
191.05699	0.6
209.06142	0.6
209.11913	3.2
227.12917	0.9
243.06615	4.8
252.04303	4.3
253.05077	20.2
253.07542	0.7
269.04614	2.9
270.04895	4.3
271.05969	7.0
285.07849	1.9
313.07263	4.0
329.16190	1.7
343.08258	1.9
371.17218	3.6
389.18210	10.0
415.10513	3.2
415.16318	3.3
431.19247	87.4
432.19885	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	475.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11069	0.7
54.82760	0.8
55.01872	5.2
57.03454	11.9
58.00584	1.2
59.01383	100.0
61.98805	1.0
65.00317	1.7
66.33473	0.7
69.03439	1.5
71.01377	69.4
72.99294	2.1
73.02942	24.8
75.00851	1.6
82.67078	0.8
83.01391	11.9
85.02943	47.4
85.04053	1.1
87.00852	1.7
89.02438	26.0
92.29626	0.9
93.03448	4.7
95.01379	11.8
99.00822	3.9
99.04501	4.8
99.58008	0.8
101.02428	43.1
107.01365	3.4
113.02438	57.7
119.03536	9.6
119.05009	9.5
121.02935	3.6
125.02429	4.2
128.03537	1.2
131.03470	2.1
135.04515	1.3
135.80821	0.9
137.02408	4.3
143.03488	2.0
149.04584	1.2
151.00378	11.3
153.01849	0.9
157.06136	1.2
161.04497	6.7
165.01939	1.1
168.84343	0.8
169.01382	0.8
177.01878	1.3
193.12343	17.3
211.13348	3.5
253.04976	3.8
261.21277	0.9
269.04483	1.4
270.04739	1.5
271.06189	15.4
271.09488	1.6
355.17633	46.2
372.83780	1.1
373.18649	12.1
415.19751	79.4
443.11972	1.2
475.12332	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	475.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72311	0.6
55.01883	1.8
58.00597	0.7
59.01389	40.8
61.98846	1.3
71.01393	12.1
72.99287	1.2
73.02950	1.1
83.01395	2.9
85.02953	5.0
87.00863	0.9
89.02444	13.6
95.01383	0.9
99.00858	1.2
101.02445	10.9
113.02475	6.2
113.09723	1.8
119.03500	4.8
119.81397	0.9
121.02979	1.0
123.11425	0.7
137.84596	0.7
139.00421	0.8
153.12836	17.2
167.14505	1.0
181.12251	0.8
183.14006	1.0
295.22943	1.1
309.24460	0.9
313.23889	38.7
314.24185	1.1
425.36169	0.7
440.01242	0.8
440.08109	0.7
467.22852	1.5
475.29190	100.0
476.23538	0.8
476.29623	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	475.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19926	0.4
61.48389	0.4
115.53062	0.4
219.72125	0.5
229.90166	0.5
281.24869	100.0
475.33984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81961	0.1
59.01395	17.8
60.01728	2.8
61.01825	2.5
61.98844	100.0
62.98972	0.1
65.53075	0.1
66.52668	0.1
78.95944	0.4
100.76013	0.1
146.08321	0.2
293.49283	0.2
300.50983	0.2
408.80594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.7
58.68099	0.4
59.01379	5.3
59.76047	0.4
59.81176	0.4
61.98823	2.2
65.00332	0.5
68.99933	0.4
69.11023	0.4
71.01387	5.6
73.04075	0.8
74.33743	0.4
78.06423	0.5
79.04060	0.4
82.02975	2.5
83.01423	0.7
83.06164	0.5
85.02954	3.3
85.04075	41.1
86.02481	0.6
87.05637	9.7
88.04048	6.2
88.98795	0.7
90.57259	0.5
93.03376	0.5
94.15260	0.5
99.04506	0.9
101.02456	1.2
101.07184	0.7
102.00185	6.0
107.06160	0.5
109.04066	1.3
111.00900	0.7
111.02010	0.8
113.03600	1.1
117.03450	0.5
119.02866	2.9
119.05000	2.9
121.03039	0.6
121.03979	0.8
123.00877	0.5
124.01671	2.8
125.02464	4.9
127.05144	10.0
128.03535	69.7
129.01968	0.8
135.05658	3.6
137.02448	1.1
139.05171	0.8
141.18069	0.6
145.02939	2.9
145.06194	3.2
146.04794	0.5
149.99596	4.4
151.00362	1.0
152.08327	7.9
153.06715	3.9
157.06189	48.8
159.07770	2.5
166.06198	4.6
167.04636	1.1
168.00627	6.7
170.09416	0.6
174.02292	12.3
178.06195	2.5
179.04614	5.7
184.04913	1.1
184.07182	3.9
185.05598	0.7
191.05025	2.8
196.07289	10.0
197.05817	0.8
214.08372	0.8
224.10379	1.0
227.07130	2.1
228.07492	3.4
248.07106	3.1
268.09351	3.4
271.02451	3.0
272.06537	0.9
286.10492	11.6
299.01935	4.2
302.08258	4.1
314.04437	0.6
320.09256	100.0
321.09485	2.2
331.06726	1.0
338.94080	0.6
339.02457	0.6
382.76401	0.6
432.19861	0.8
476.20587	4.5
477.10416	9.6
501.62384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29378	0.5
55.01873	1.0
57.03458	12.6
59.01387	12.7
61.98510	1.2
61.98835	35.7
65.44215	0.6
71.01385	10.3
73.02959	1.4
82.02985	4.2
83.01398	1.4
85.02956	17.3
85.04066	38.1
86.02443	1.1
87.05633	10.1
88.04030	8.3
93.03451	0.8
96.95944	0.9
99.04498	8.2
101.02454	6.5
102.00186	6.5
109.04108	1.7
111.00882	1.6
113.02423	1.3
113.03580	1.0
116.92868	2.9
119.02821	3.6
119.05031	1.2
121.02974	1.1
123.04529	1.3
125.02467	2.6
127.05144	9.8
128.03531	77.2
129.01918	6.4
129.03885	0.7
132.02165	0.7
133.02946	1.4
135.04768	0.7
135.05653	6.7
137.02464	0.9
142.93706	0.7
145.03091	0.7
145.06203	2.6
146.03342	0.9
147.03053	0.9
152.08272	7.4
153.06711	3.6
157.06186	50.0
159.07750	3.3
166.06190	5.1
167.03552	2.3
174.02304	16.2
178.06221	3.2
179.04602	6.4
181.05032	0.8
184.04871	3.0
184.07268	2.6
191.02032	0.9
191.05049	3.9
193.05046	1.0
196.07314	11.2
197.05750	1.4
211.04095	0.8
212.04893	0.9
214.08456	1.3
224.10464	1.2
239.03494	1.6
248.07133	1.1
251.05705	0.7
259.96771	0.7
267.03009	2.7
268.03818	34.0
268.09485	4.3
269.04584	50.8
272.06534	1.2
286.10455	14.2
302.08194	4.1
320.09241	100.0
321.09439	3.0
343.13116	0.7
413.14539	3.2
431.09897	29.0
440.21924	1.0
476.12976	1.1
476.20010	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	476.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58873	0.1
59.01374	0.2
68.02222	0.1
78.95900	6.2
122.00134	0.3
127.86255	0.2
140.01195	2.3
152.99590	0.4
180.52069	0.2
196.03824	0.9
214.04892	2.3
261.22168	0.3
276.75540	0.2
279.23318	100.0
280.23615	0.7
476.27890	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	476.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
78.95900	23.6
81.85085	0.2
96.96986	0.2
104.97450	0.2
122.00130	0.9
138.23820	0.2
140.01186	7.0
152.99612	1.8
160.26527	0.2
196.03809	10.3
214.04874	1.6
221.00076	0.2
261.22198	0.4
279.23306	100.0
280.23755	1.5
450.87082	0.2
476.27863	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	476.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60132	0.2
51.77525	0.2
62.96416	0.3
68.78830	0.2
78.95900	100.0
92.11732	0.6
96.96957	9.7
140.01180	0.5
141.24792	0.2
150.98015	0.3
152.99582	17.8
171.00635	20.6
402.24142	2.1
476.27863	57.2
477.28265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29142	0.2
54.64806	0.2
61.20402	0.2
61.54218	0.2
76.36243	0.2
78.95902	100.0
94.08922	0.2
96.96958	9.8
99.98531	0.2
111.64227	0.2
115.97444	0.2
140.01205	0.4
152.98337	0.5
152.99586	14.9
171.00647	18.7
196.06784	0.2
224.45691	0.2
278.73633	0.2
393.03204	0.3
402.24133	2.0
423.00778	0.2
476.27878	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	6.9
57.03452	2.3
59.01391	4.9
60.99307	0.9
61.06103	0.5
67.01878	1.1
71.01374	0.7
72.99300	1.0
80.50474	0.5
83.01386	14.9
83.05021	1.0
84.02165	4.5
85.02935	6.8
90.40801	0.6
93.03443	3.1
95.04984	1.0
99.04509	100.0
109.02951	3.9
109.06586	11.1
111.00874	27.0
111.04525	4.8
111.08144	3.2
113.02489	0.5
113.06049	0.7
121.02942	67.5
121.06567	7.9
123.04510	2.5
123.08131	1.2
129.01959	4.3
131.05003	6.2
133.02943	2.4
133.06590	21.7
135.04532	0.8
137.06107	2.5
139.07639	15.3
143.05031	1.0
149.06076	1.1
159.04515	3.1
161.06071	13.0
165.05597	0.8
167.07126	17.9
189.05579	17.2
189.07196	1.0
191.75812	0.6
193.05066	0.7
211.06145	9.4
233.04604	3.4
255.05099	4.2
280.54718	0.6
309.20883	0.8
333.09711	2.7
387.39481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49865	0.7
55.01866	4.2
57.03442	2.0
59.01364	4.2
69.79641	0.7
71.01382	1.9
83.01382	6.8
83.05034	1.7
84.02156	5.1
85.02957	6.4
85.42433	0.8
91.39310	0.8
93.03435	2.1
99.00863	1.5
99.04510	100.0
101.02437	1.2
109.02940	5.5
109.06593	14.5
110.03726	2.0
111.00878	14.1
111.04556	6.3
111.08143	3.6
113.06075	1.1
121.02938	41.3
121.06625	7.9
123.04494	3.4
123.08124	1.0
125.83082	0.9
129.01903	3.4
131.05011	1.9
132.87727	0.8
133.06592	7.6
139.07649	16.2
141.01878	0.8
143.05067	1.8
149.06009	1.1
161.06049	4.7
163.35304	0.9
167.07124	33.3
189.05545	7.5
211.06120	5.2
233.04584	3.8
311.11288	1.1
333.09683	1.7
477.23016	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78588	0.5
53.97579	0.4
54.82317	0.4
55.01883	9.3
57.03436	2.2
59.01367	2.3
61.98825	0.9
67.01878	0.6
70.04543	0.5
71.01369	2.2
72.99291	3.7
73.03658	0.5
76.57475	0.6
80.02650	0.6
81.03455	1.0
83.01382	21.5
83.05006	2.4
84.02175	6.8
84.13663	0.6
85.02951	7.9
93.03438	3.3
95.05002	0.9
96.99283	2.7
98.61902	0.6
99.00864	1.3
99.04513	100.0
101.02405	0.7
109.02922	4.1
109.06592	18.9
110.03693	1.1
111.00877	38.3
111.04518	5.2
111.08121	4.8
113.02423	0.6
113.06043	0.8
121.02948	73.3
121.06594	9.0
123.04503	3.7
123.08127	0.9
124.05287	1.0
129.01938	3.9
131.05013	3.2
133.02890	0.7
133.06590	12.5
137.06102	1.0
139.06581	0.8
139.07649	22.6
146.11707	0.6
149.06088	1.1
159.04469	2.3
161.06079	8.6
167.07130	19.5
189.05579	15.8
203.93498	0.6
207.82109	0.6
211.06177	11.7
233.04517	2.5
237.03941	1.1
253.83496	0.6
255.05049	4.7
268.49261	0.6
281.82428	0.6
333.09900	1.2
342.97131	0.7
390.97906	0.7
425.71237	0.6
441.65866	0.7
446.22443	2.5
446.72479	3.8
447.22894	2.2
471.29153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46879	0.2
59.01390	3.4
71.01386	4.7
71.54394	0.2
72.01717	0.4
72.99315	2.8
73.01807	0.3
73.02935	0.4
75.00874	22.5
79.58122	0.2
87.00875	13.0
89.02447	4.8
102.62550	0.2
103.00354	0.3
115.00371	7.3
116.00726	2.0
117.00788	1.6
117.01930	1.4
132.03018	0.8
133.01428	13.8
133.05016	1.7
134.01796	2.2
134.05428	0.8
135.02997	100.0
136.03319	0.2
187.28824	0.2
242.74524	0.2
341.10968	0.2
351.88657	0.2
382.62662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42362	0.3
55.38386	0.2
59.01392	5.1
60.99316	16.6
61.68137	0.3
71.01385	1.6
73.02962	0.4
77.34825	0.3
85.02953	0.6
86.27690	0.3
88.98805	100.0
89.02437	1.3
92.11668	0.5
96.96013	0.5
101.02442	0.6
107.05125	0.3
107.35413	0.2
109.02928	0.5
113.02416	0.3
119.03452	0.4
121.02940	3.6
123.04549	0.6
135.04584	0.4
149.02367	0.3
162.76709	0.3
167.03534	0.4
167.87428	0.3
167.89369	0.3
273.07758	0.6
296.91086	0.4
297.07639	0.4
315.08035	1.1
344.09134	0.4
357.10049	1.2
387.16614	7.7
458.74039	0.4
477.18732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.7
61.98834	100.0
62.22152	0.1
76.91849	0.1
84.56466	0.1
88.01185	0.2
88.04028	0.2
96.96001	1.4
121.02948	1.4
135.02119	0.2
225.05260	0.2
252.04327	1.0
253.04984	4.7
254.05351	6.4
255.05605	5.3
256.05890	2.4
260.51044	0.2
265.00537	0.2
416.10901	0.3
417.11182	0.9
418.11075	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.9
61.98832	100.0
68.08578	0.1
71.01388	0.1
73.02931	0.1
74.32957	0.1
101.02446	0.2
102.22046	0.1
108.68614	0.1
210.07394	0.1
230.33504	0.1
255.06624	0.1
256.07172	0.2
313.61166	0.1
418.21179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60019	0.4
61.98835	96.3
73.84035	0.4
74.99096	4.8
77.00662	51.7
78.95898	3.1
83.02076	0.4
90.91862	0.4
92.12282	0.8
98.43185	0.4
102.24566	0.5
144.77794	0.4
146.64748	0.4
147.08133	0.8
149.09718	1.1
155.13005	0.4
161.09778	0.5
163.11307	2.1
179.68591	0.4
187.11296	2.4
199.06976	0.5
279.13913	0.7
280.14755	0.7
281.24786	5.6
292.71344	0.5
297.35367	0.6
309.22308	3.1
337.21765	100.0
338.22061	2.2
415.23166	46.2
416.23453	0.5
448.15225	0.5
478.29431	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	478.2943
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
64.34909	0.2
78.95905	100.0
79.94247	0.2
96.96953	9.6
140.01205	0.4
152.99591	17.3
171.00645	21.9
214.04955	0.4
249.06911	0.3
354.56799	0.2
404.25668	2.2
439.98801	0.2
478.29456	54.3
479.29837	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	478.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55945	0.1
70.73582	0.1
78.04846	0.1
78.95903	5.9
92.11722	0.3
106.72318	0.1
127.39356	0.1
140.01192	2.0
152.99599	0.7
168.32417	0.1
196.03838	1.1
214.04889	2.0
232.57759	0.1
281.24881	100.0
282.25262	2.2
360.71240	0.1
378.97073	0.1
442.31708	0.2
478.29456	11.8
479.29395	0.2
496.11481	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	478.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54691	0.2
63.99630	0.2
66.36720	0.2
71.83610	0.3
72.01470	0.3
72.18688	0.2
78.95901	19.4
82.67234	0.3
111.77555	0.3
118.48775	0.2
122.00119	0.6
137.30281	0.2
140.01178	5.8
152.99585	1.5
174.12408	0.3
196.03822	8.6
214.04855	1.7
264.01175	0.3
281.24872	100.0
282.25296	2.3
339.13046	0.3
443.46475	0.3
471.65637	0.3
478.29453	29.3
479.29788	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	479.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10926	0.5
55.01887	8.9
57.03456	19.4
58.50321	0.6
59.01383	23.3
59.87014	0.6
60.07310	0.7
60.99325	0.8
61.98836	0.8
64.34552	0.7
67.01883	0.7
67.44291	0.7
69.03467	1.3
71.01382	5.1
71.05018	4.0
72.24220	0.6
72.99323	3.6
73.02931	1.1
74.55608	0.7
81.03455	22.5
83.01383	30.7
83.05020	0.9
84.02158	4.6
84.64507	0.7
85.02948	70.7
87.00868	1.0
87.15411	1.0
89.02415	1.0
93.03455	4.3
97.02956	1.2
99.04512	58.4
101.02435	1.3
101.03087	0.7
109.03032	1.4
111.00280	1.0
111.00879	48.3
117.03445	11.4
119.05019	100.0
120.05342	0.9
121.02942	0.9
125.02423	3.1
127.04004	31.0
128.25104	0.8
129.01939	28.2
137.02478	1.1
143.33560	0.8
145.02960	54.1
147.03003	1.2
147.04501	1.1
152.99640	1.2
154.99866	1.4
157.06473	1.0
159.08131	1.5
163.04004	54.0
167.07143	1.6
168.32301	0.8
171.02995	12.1
173.00865	1.5
175.07616	0.9
184.50613	0.9
187.07610	9.2
189.03960	0.9
197.01001	1.0
203.07178	3.6
215.01974	6.0
224.73203	0.8
229.07222	1.4
231.06694	6.6
245.35782	0.8
257.36459	0.9
273.06287	1.9
278.33322	0.8
333.08197	1.0
385.53320	0.9
435.22476	1.2
479.28992	1.2
482.11450	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82322	0.3
55.01867	2.4
57.03445	2.1
58.00587	0.5
59.01384	41.0
64.42248	0.4
66.99523	0.5
71.01380	23.6
72.99321	1.6
73.02930	3.0
81.67002	0.4
82.95414	13.3
83.01388	3.8
83.05012	0.6
85.02944	8.8
87.00854	0.8
89.02437	15.3
95.01377	1.8
99.00879	0.9
101.02433	19.3
108.35278	0.4
111.04505	0.8
113.02435	9.8
119.03489	5.6
149.02231	0.4
165.13397	0.5
169.10568	0.4
189.12790	0.7
211.51193	0.4
214.95976	0.5
219.13829	0.8
237.14833	0.9
254.69455	0.5
293.14075	0.4
305.70728	0.5
443.19263	100.0
444.19534	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	479.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98832	33.2
64.56267	22.4
71.60245	18.3
86.46799	19.3
90.17268	18.7
90.98334	24.7
121.23515	21.4
127.45922	20.4
130.39429	25.6
176.32758	21.3
220.95633	21.4
383.17331	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	479.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83033	0.7
57.03442	1.8
57.68525	0.7
69.56145	0.7
85.02956	1.9
95.05024	2.0
101.09660	0.8
109.02952	5.1
121.02955	5.9
123.04518	10.3
124.05236	1.4
125.06055	4.1
128.48129	0.9
136.05315	1.0
137.06100	3.1
139.04044	3.9
143.07170	1.9
149.06064	0.9
152.04874	2.0
156.04292	1.5
167.07166	6.2
174.75674	0.8
193.12366	1.5
291.26892	3.2
293.28632	1.1
349.31140	100.0
377.30618	9.6
387.47058	1.0
417.33923	4.1
435.34918	13.5
443.80402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04550	0.9
59.01368	5.0
69.03452	1.2
71.05009	7.0
76.73727	1.1
83.05032	1.9
93.07060	1.1
95.05035	1.2
109.06600	9.6
111.08149	1.3
113.06095	2.5
120.69881	1.1
121.02938	1.3
122.03721	4.5
123.04526	20.3
127.07674	8.1
133.06544	1.9
135.04524	2.6
136.05299	28.0
137.06088	100.0
138.06436	1.5
151.07668	15.0
155.07152	6.2
165.09187	7.3
169.21666	1.1
178.06340	1.6
193.08749	9.7
236.57051	1.2
281.28470	7.3
323.29514	5.1
341.30676	27.6
342.31274	1.3
419.35349	67.3
420.35718	1.6
461.36105	1.8
479.37424	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	480.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15205	0.3
61.98826	0.6
76.55341	0.3
78.95907	100.0
96.96957	10.5
143.72635	0.3
152.99591	17.7
159.47861	0.3
164.12064	0.3
171.00647	22.1
202.96751	0.3
214.04944	0.3
281.24924	0.9
282.25266	0.5
283.25549	0.5
406.27390	1.7
480.31009	55.0
481.31232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.31
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48122	0.2
54.83649	0.2
56.65982	0.2
59.01391	0.3
61.98834	1.5
62.96412	0.2
78.95898	20.1
122.00132	0.6
140.01175	6.8
152.99574	1.9
196.03812	8.3
214.04846	1.6
232.68364	0.3
272.01041	0.2
276.62436	0.3
283.26447	100.0
284.26700	1.2
480.30984	28.8
481.31085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08495	0.3
54.07830	0.4
59.01380	0.8
62.72108	0.4
63.09024	0.4
73.15935	0.4
73.46040	0.4
78.95910	6.4
79.68980	0.5
96.95996	0.7
140.01257	0.9
152.99628	0.5
196.03691	0.5
206.25562	0.4
214.04912	2.2
216.66257	0.4
283.26459	100.0
284.26794	1.8
287.73956	0.5
385.17383	0.5
480.23959	0.8
480.31027	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	480.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50488	0.5
59.01398	0.5
78.95902	44.5
80.95329	0.6
88.40837	0.6
89.04890	0.6
96.40694	0.6
96.96952	2.2
104.53592	0.5
105.87846	0.7
117.43092	0.6
152.99596	12.0
168.04333	2.6
171.00664	5.5
182.04625	0.7
200.05655	0.6
224.06987	7.5
227.38188	0.7
255.23320	100.0
256.23526	0.7
281.24936	6.1
282.25256	11.6
283.25543	10.8
373.93604	0.6
480.31195	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	481.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
59.01394	5.7
63.57858	0.4
69.23304	0.5
71.01373	2.4
73.02938	1.0
75.29595	0.4
76.56956	0.5
85.02932	0.9
90.41785	0.5
99.04498	0.8
101.02446	2.0
113.02416	0.6
113.06081	2.3
125.02448	0.6
141.02559	0.7
175.09732	5.4
176.56151	0.5
187.04018	2.0
196.05339	3.1
211.04028	3.2
212.04735	0.7
239.03423	3.5
240.04305	28.7
241.04732	0.7
252.12027	0.6
267.02975	3.9
268.03806	74.8
268.45441	0.5
269.04413	6.0
282.05350	3.4
283.06155	100.0
284.06580	2.9
305.08984	2.0
337.15283	1.2
379.16116	0.7
384.30267	0.5
445.11484	2.3
473.11063	0.9
481.19235	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	481.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44423	1.3
57.03462	3.5
59.01366	2.6
61.98805	1.8
73.02953	1.9
81.03455	3.4
83.05029	2.8
85.02946	3.5
92.77991	1.5
93.03465	1.7
94.11462	1.4
95.05000	3.9
97.06595	1.9
99.04518	3.0
107.05005	9.8
109.02950	6.1
109.06578	38.1
111.04510	7.1
113.06117	3.6
121.06564	2.0
122.03725	15.6
123.04515	1.8
123.08151	30.7
125.06120	4.5
125.09702	9.0
133.06581	20.6
136.05296	42.5
150.03244	6.6
151.07640	100.0
169.08670	3.2
191.42957	1.9
267.26978	1.6
419.35361	44.8
437.36545	17.3
481.35367	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.7
57.03194	0.8
57.03457	16.5
58.52439	0.5
59.01385	9.9
65.00321	0.8
67.01882	1.1
69.03453	0.8
71.01382	0.9
71.05029	1.1
72.99295	1.5
81.03459	9.0
83.00929	0.8
83.01395	17.2
83.05059	0.6
84.02153	0.9
85.02951	100.0
88.98769	0.6
91.01886	4.7
95.01364	1.2
96.09373	0.7
99.04516	37.5
108.02177	7.6
109.02937	1.1
111.00883	28.1
123.00875	3.8
123.04521	17.1
124.01633	3.9
125.02414	2.6
127.04011	23.7
129.01935	20.7
139.00430	0.7
139.07654	0.7
140.07088	0.7
147.03067	0.9
147.12038	0.7
152.01195	9.0
163.03979	1.2
164.04755	0.7
166.02733	3.1
167.03500	31.1
167.07159	1.5
171.03003	6.5
174.03239	0.7
189.05608	1.1
192.04327	5.6
197.00841	0.9
197.11887	4.3
202.02654	1.0
207.06633	6.4
215.01999	3.9
221.77792	0.8
229.07220	1.3
235.06143	18.9
239.90762	0.7
241.10811	3.2
268.03751	4.4
270.04361	0.8
273.06271	1.4
279.05151	2.5
283.06152	5.7
297.06070	0.9
303.43311	0.7
327.77460	0.8
333.08212	2.9
407.01773	0.9
440.02280	0.7
459.40060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	5.1
57.03453	15.5
59.01383	15.0
67.01901	0.7
69.03445	0.6
71.01376	3.7
71.05010	2.2
72.99285	0.6
73.02953	0.7
80.53477	0.4
81.03455	10.8
83.01389	16.1
83.89689	0.4
84.02167	4.0
84.83438	0.4
85.02946	100.0
89.35355	0.5
91.01321	0.3
91.01892	2.3
95.01384	0.7
99.04510	57.5
101.02459	0.6
102.33593	0.3
108.02164	5.4
109.02966	2.0
109.06585	0.5
111.00874	26.7
111.01656	0.9
123.00892	2.3
123.04514	10.6
124.01662	0.5
125.02419	0.9
127.04002	49.8
129.01927	17.9
136.01665	0.8
136.98769	0.4
139.07687	0.6
147.02985	1.9
152.01160	4.1
154.99843	0.4
166.02748	0.8
167.03502	19.8
167.07184	2.3
171.03000	6.0
173.00996	0.6
189.04054	0.7
192.04352	2.4
207.02983	0.4
207.06531	3.1
215.01939	0.8
233.03050	0.6
235.06119	8.1
261.76877	0.5
273.06146	0.7
279.05261	0.5
297.06229	1.9
333.08115	1.5
339.07272	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90829	1.1
55.01887	9.1
57.03464	15.3
59.01394	34.8
62.32264	1.0
67.01907	2.0
71.01378	2.0
71.16425	1.3
81.03439	6.1
83.00924	2.2
83.01389	41.2
85.02951	81.7
91.01883	5.2
99.04510	27.9
108.02157	6.0
111.00878	100.0
123.00880	5.9
123.04509	17.7
127.04010	12.2
129.01935	22.1
151.03923	1.9
152.01126	7.7
154.99881	2.9
167.03491	32.5
167.07097	2.2
171.02995	1.5
192.04347	1.8
207.06598	8.6
220.03664	1.8
235.06108	11.4
245.79253	1.3
269.97763	1.4
273.06314	1.5
279.05118	2.2
292.61057	1.5
321.15735	1.4
410.39209	1.3
430.36377	1.5
430.42288	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	483.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27023	1.4
50.80773	1.3
50.99028	1.3
54.82645	2.0
55.01884	13.7
56.69682	1.6
57.03457	24.7
58.41719	1.4
59.01382	19.4
60.99310	1.4
63.18192	1.5
66.87742	1.8
71.01389	2.1
71.05026	2.2
76.06834	1.8
81.03461	25.4
83.01393	34.2
84.02161	4.0
85.02952	95.7
88.98829	7.5
91.01878	13.3
99.04515	65.6
108.02167	22.4
109.02924	2.2
111.00886	62.3
123.00851	2.6
123.04523	51.4
124.01669	3.7
124.42207	1.7
127.04010	27.7
129.01944	34.2
140.30170	1.8
152.01170	42.5
166.02727	2.4
167.03488	100.0
171.02997	15.0
215.02023	8.1
235.06114	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	483.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01112	1.4
59.01386	30.2
68.99810	1.2
71.01377	22.2
72.00867	0.7
72.99291	0.9
73.02948	0.8
82.02966	4.7
84.42756	0.8
85.02944	4.1
88.04039	3.2
89.02427	8.9
93.03418	0.8
96.95968	1.0
99.00873	21.3
99.04432	0.8
101.02415	4.9
102.98807	0.8
113.02446	4.3
114.01943	1.1
115.00350	22.9
115.03891	1.0
116.05059	16.8
119.03480	1.2
119.05013	1.0
126.01967	5.2
127.05140	3.0
128.03540	11.7
128.05055	5.3
131.03720	3.1
132.03015	5.8
132.04550	5.5
141.00682	1.2
141.01880	15.1
144.04547	100.0
146.06119	77.7
158.06129	1.5
160.04012	1.5
161.08211	4.4
162.05588	17.3
163.03938	1.3
169.04082	6.7
172.04039	26.2
172.07680	11.6
174.05621	0.8
180.06665	5.4
182.04877	1.1
187.05122	88.5
188.03522	1.1
195.01509	3.2
197.07172	5.6
215.08272	32.7
225.67352	0.9
241.06171	4.1
242.71240	0.8
243.03658	7.6
259.07233	24.7
285.05145	1.4
291.10046	1.3
303.06250	84.0
309.10931	7.9
310.09314	1.1
341.10919	3.8
363.07840	3.6
367.11404	1.6
378.70151	0.9
423.10065	1.9
465.11154	2.4
483.12598	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	0.9
59.01384	17.9
61.78903	0.8
65.75661	0.9
71.01379	19.7
75.53722	0.8
78.55617	0.7
79.86462	0.7
82.02974	4.6
85.02930	1.6
88.04025	3.8
89.02431	5.2
99.00871	1.5
101.02436	2.0
113.02417	1.6
114.01962	1.2
114.48017	0.8
115.00365	24.2
116.04217	1.3
116.05044	18.1
119.03447	1.4
126.01982	7.1
127.05121	1.4
128.03539	5.1
128.05028	6.5
131.03749	4.5
132.03011	5.7
132.04549	4.3
144.04550	100.0
145.04823	1.2
146.06125	67.5
158.06125	3.6
159.05594	1.0
160.04071	2.0
162.05609	19.0
167.04623	1.5
169.04085	7.2
170.06097	1.1
172.04047	22.6
172.07722	10.3
180.06700	1.3
187.05132	83.9
197.07222	5.0
215.08279	34.3
241.06259	3.8
259.07233	22.8
303.06253	77.2
309.10944	3.9
317.57266	1.0
367.11469	2.0
409.77396	1.0
465.11581	1.2
483.12640	41.5
483.19702	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	483.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88574	1.0
59.01111	1.5
59.01395	37.1
60.03315	1.1
71.01389	21.2
73.02952	1.5
77.99612	1.1
82.02991	5.9
84.20588	1.3
85.02963	1.8
88.04035	2.0
89.02444	7.7
90.07520	1.5
99.00874	9.4
101.02437	5.2
102.98230	1.3
110.84305	1.2
111.00887	15.0
111.41863	1.1
113.02470	4.7
114.01952	1.2
115.00374	28.3
116.05052	15.6
119.03462	1.4
121.02895	1.3
126.01986	6.6
128.03535	1.7
128.05077	6.4
130.08748	1.3
130.54361	1.1
131.03745	2.1
132.03032	6.5
132.04579	6.1
141.01756	9.9
143.03534	5.7
144.04546	100.0
146.06123	75.3
146.07303	1.8
147.06595	1.6
158.06151	2.8
160.04037	1.7
162.05655	13.3
169.04121	5.2
170.06133	2.0
172.04039	19.4
172.07640	11.1
179.05728	1.4
187.02528	2.6
187.05124	78.3
197.07286	2.3
215.08289	38.1
241.06166	4.6
243.03716	2.2
259.07254	28.4
288.66971	1.4
303.06232	82.2
341.10886	5.5
367.11664	2.8
465.11783	1.4
476.34314	1.2
483.12592	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82623	1.2
55.01878	1.9
57.03456	1.9
58.00587	1.6
59.01388	100.0
61.57125	1.1
61.98856	1.3
66.53963	1.2
68.12489	1.2
69.03457	1.2
69.82194	1.2
71.01389	43.3
72.21267	1.3
73.02946	52.6
78.95907	3.1
83.01380	17.1
84.86855	1.1
85.02932	13.2
87.00883	1.3
87.02271	1.3
89.02456	17.4
92.65874	1.3
96.95995	2.2
98.59887	1.2
101.02434	36.7
108.02187	2.0
113.02464	12.3
119.03483	6.9
125.02419	1.8
130.29469	1.3
131.03490	2.5
143.03531	1.9
149.04565	2.8
152.01192	8.6
152.99570	4.9
161.04604	7.3
167.03511	8.6
167.11862	1.5
182.92769	1.6
205.46051	1.5
214.01572	1.5
247.17705	1.5
269.04510	16.3
270.04834	1.5
423.22391	2.6
447.22430	24.4
448.22687	1.7
483.22760	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	483.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	8.8
56.02116	1.1
57.03459	6.2
59.01389	56.4
59.01690	2.0
66.35744	1.0
67.28237	1.1
71.01385	46.2
72.99280	2.2
73.02950	20.9
78.95903	6.1
83.01374	15.3
85.02952	34.6
85.03458	1.5
87.00888	1.6
89.02438	15.6
91.13808	1.4
95.01384	2.7
96.99313	1.3
99.00872	10.7
101.01769	2.2
101.02439	51.5
101.03079	2.3
111.00896	2.2
113.02446	22.7
117.95306	1.1
120.98895	1.0
127.03989	1.2
129.01926	1.5
130.52052	1.2
134.13783	1.1
141.26509	1.2
143.03572	1.3
152.99585	2.6
159.03044	2.4
161.04576	10.9
183.89244	1.1
211.80946	1.2
291.18198	100.0
331.42871	1.6
406.18390	1.3
423.16656	2.5
423.22446	77.2
424.22894	1.5
447.22641	1.9
453.21466	2.1
483.24039	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	483.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51467	0.4
54.45734	0.4
55.01879	2.7
57.03456	3.7
58.00596	0.6
59.01387	64.5
61.12978	0.4
61.98833	7.4
65.15032	0.4
66.28740	0.5
69.03448	1.0
71.01384	32.6
72.99289	1.2
73.02594	0.6
73.02946	11.1
75.00854	0.5
78.95887	2.5
83.01380	7.8
85.02466	1.0
85.02953	19.4
85.03465	0.9
87.00839	1.3
89.02434	19.1
92.11710	0.9
95.01371	1.2
97.02904	0.9
99.00894	4.0
101.02439	34.1
111.00867	4.2
113.02436	13.8
115.03992	0.5
119.03478	0.8
125.02383	1.0
129.01917	0.8
131.03516	8.2
143.03487	2.2
149.04500	2.7
152.99591	3.3
159.02962	1.9
161.04529	5.5
168.13962	0.6
191.05626	0.9
233.06816	0.7
291.18167	20.7
423.22418	100.0
424.22708	1.2
483.24033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2732
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
60.58857	0.2
71.94926	0.3
78.95901	18.3
82.25978	0.3
94.66671	0.3
96.96931	1.5
150.98071	0.4
152.99586	32.8
154.90283	0.3
155.97475	0.3
171.00600	1.7
219.59789	0.3
227.03273	3.4
255.23312	100.0
256.23642	1.6
419.45633	0.4
483.27359	50.7
484.27573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82882	0.3
55.42700	0.2
58.29916	0.2
69.80577	0.3
74.37536	0.3
78.95901	18.6
89.76132	0.3
96.96940	1.9
98.11492	0.3
102.04195	0.3
112.32526	0.3
119.46811	0.3
152.99586	32.7
171.00632	1.9
194.63788	0.3
227.03242	3.7
245.04356	0.7
255.23309	100.0
256.23621	2.8
262.93228	0.4
347.25452	0.3
391.22629	0.5
483.27341	57.1
484.27475	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	484.204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22744	0.2
55.01885	0.4
55.83200	0.2
57.03460	0.4
58.00585	0.3
59.01382	11.8
60.01717	0.5
61.98833	100.0
69.77541	0.2
71.01381	7.1
71.97930	0.2
72.01716	0.4
72.99343	0.3
73.02941	2.9
75.98857	0.2
78.95895	0.5
83.01392	1.4
85.02942	3.5
87.00874	0.3
89.02429	3.2
90.02781	0.4
92.65301	0.2
95.01417	0.3
97.03006	0.2
99.00887	1.2
101.02428	6.3
101.03072	0.3
102.02764	0.8
103.61520	0.2
111.00900	0.8
113.02447	1.5
114.02807	0.3
131.03502	1.6
132.03867	0.4
149.04539	0.3
152.99593	0.4
161.04568	1.1
200.32439	0.2
205.92970	0.3
225.01619	0.2
291.18124	2.2
292.18576	2.4
345.08951	0.3
423.22382	5.6
424.22742	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	484.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.1
59.01387	1.6
59.92246	0.1
60.01716	0.1
61.01807	0.1
61.98836	100.0
71.01393	1.2
73.02943	0.2
83.01404	0.2
85.02962	0.4
89.02446	0.6
90.71165	0.1
92.11759	0.1
101.02451	0.5
131.03557	0.2
144.32802	0.1
161.04668	0.1
187.90718	0.1
209.33904	0.1
212.41382	0.1
223.09657	0.1
290.16870	0.1
291.17340	0.1
315.64813	0.1
422.21350	0.4
423.21536	1.0
424.21677	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	485.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60445	1.2
55.01887	6.5
57.03451	9.0
57.10983	1.2
59.01107	3.0
59.01390	60.7
61.98832	2.6
71.01389	16.3
72.99302	3.1
73.02939	3.4
75.00867	3.3
81.03461	10.6
82.95410	10.7
83.01399	19.7
84.02148	2.8
85.02948	30.1
89.02466	6.7
95.25314	1.5
97.02941	2.1
99.00883	3.7
99.04522	14.6
101.02452	6.7
111.00876	21.9
113.02449	6.8
113.46302	1.6
121.02955	82.1
127.03999	23.0
129.01964	15.6
131.05035	3.7
133.06590	28.0
147.04533	100.0
159.04489	2.1
161.06046	14.9
171.02995	8.0
187.07661	1.8
189.05545	17.2
215.07199	3.0
233.04660	6.4
251.05656	9.0
293.06564	1.7
463.74545	1.7
485.23816	20.0
485.74289	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	485.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17744	3.2
55.01880	5.6
57.03450	5.8
59.01384	31.2
71.01360	12.0
77.37597	2.6
80.24217	2.5
81.03450	14.8
83.01374	14.5
85.02949	33.8
99.04502	15.4
111.00887	32.0
121.02943	100.0
127.03103	3.1
127.03976	28.1
129.01915	18.4
131.04997	3.0
133.06606	20.7
143.23628	3.1
147.04521	88.0
160.99477	2.9
161.06136	5.6
171.03040	13.6
187.07645	3.6
189.05524	14.6
201.61913	3.0
215.07234	4.1
251.05612	5.8
295.46155	3.3
322.32727	3.2
419.40829	3.1
485.23300	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	485.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31197	0.1
54.11338	0.1
59.01388	2.0
61.43559	0.1
71.01378	0.3
78.95900	1.2
79.95734	1.3
80.14807	0.1
89.02432	0.5
93.02202	0.1
96.96003	100.0
101.02447	0.3
114.93347	0.1
127.07651	0.1
129.05565	0.5
189.07730	0.7
207.10341	0.2
294.31821	0.1
345.33017	0.1
387.16656	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	485.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49639	0.1
51.21309	0.1
55.01865	0.1
59.01388	6.2
61.48621	0.1
61.72871	0.1
62.43352	0.1
63.90504	0.1
70.74026	0.1
70.93952	0.1
71.01387	1.6
72.99310	0.1
73.02949	0.5
78.95909	1.0
79.95737	1.5
85.02955	0.7
89.02450	1.4
96.96006	100.0
101.02431	1.2
113.02437	0.6
119.03490	0.3
127.07671	0.1
129.05580	0.2
148.19221	0.1
163.11336	0.2
189.07733	0.5
207.10268	0.2
334.67239	0.1
387.16650	3.0
443.20010	0.2
456.42322	0.2
485.20343	5.2
514.11249	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35429	0.2
59.01401	2.2
61.98839	0.6
64.34724	0.3
68.99571	0.4
88.04043	61.8
97.92983	0.3
112.98576	0.6
147.08154	3.7
149.09723	2.4
160.08932	0.4
161.09744	1.7
163.11285	3.9
170.11882	0.4
171.12251	0.4
177.07834	0.3
187.11319	4.5
192.07916	0.4
203.10823	0.5
259.89523	0.3
265.12225	0.6
279.13876	1.7
280.14752	1.5
307.17010	1.1
309.22147	3.5
318.25577	0.3
321.18610	0.4
322.19553	0.3
337.21762	100.0
338.22089	4.1
382.27417	0.5
486.26886	15.8
487.26968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1246
Annotation	Glycitein 6'-O-acetylglucoside
Peak:m/z	Relative Intensity
57.03452	1.0
57.61965	0.4
58.14338	0.4
59.01117	0.7
59.01390	17.6
61.99498	0.4
63.84243	0.4
65.80871	0.4
71.01365	2.0
73.02936	3.4
77.04073	0.4
82.95420	15.4
82.95889	1.0
83.05020	0.6
85.02936	2.8
88.44934	0.5
89.02425	0.8
90.18705	0.4
93.36246	0.4
96.04555	1.0
99.00845	0.8
99.04527	0.5
101.02430	2.2
113.02452	0.7
117.05586	2.0
125.02486	0.5
127.04062	0.7
145.02940	3.0
147.00932	0.9
149.02434	0.5
155.05103	0.5
161.04503	0.8
167.05055	0.6
183.04530	2.4
187.04013	2.7
195.04541	0.7
196.05287	6.1
211.04030	7.9
212.04886	0.7
216.90471	0.5
223.03964	1.1
238.02617	0.7
239.03497	16.0
240.04294	40.8
241.04576	0.9
241.10872	0.8
242.11418	0.6
255.02997	2.9
267.03015	11.9
268.03793	100.0
269.04138	4.1
281.04718	0.7
282.05353	19.8
283.06149	84.3
284.06479	2.5
290.05872	1.8
293.04660	0.8
305.08069	0.7
323.79666	0.5
325.07306	1.2
334.04785	0.6
427.10452	14.1
487.12424	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	487.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64456	0.1
57.37440	0.2
58.29568	0.2
59.01378	0.5
63.10368	0.2
65.94289	0.2
68.41338	0.2
86.41310	0.2
119.38557	0.2
125.20227	0.2
132.51787	0.2
147.00847	0.5
152.01123	0.4
167.03526	0.3
183.04573	0.4
184.05318	0.3
187.04025	2.1
196.05290	5.6
196.68340	0.2
211.03986	3.3
212.04817	0.9
212.46916	0.2
223.03978	0.3
224.04640	0.3
224.78352	0.2
227.53410	0.2
237.05457	0.3
239.03499	4.3
240.04289	41.7
241.04500	0.3
247.12997	0.2
267.03000	3.4
268.03781	100.0
269.04080	1.5
281.04684	0.3
282.05344	3.2
283.06131	83.4
284.06573	1.6
290.05777	0.3
293.04504	0.8
325.07254	1.3
328.49402	0.2
330.42303	0.2
415.34894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.125
Annotation	Acacetin 7-(6'-acetylglucoside)
Peak:m/z	Relative Intensity
59.01165	0.6
59.01387	10.9
71.01365	1.3
73.02924	1.1
78.97705	0.8
82.95422	1.8
84.95081	0.9
85.02935	0.9
89.02487	1.0
101.02446	0.9
132.02151	4.5
182.54343	0.7
200.69180	0.8
211.03983	3.3
217.04132	0.8
222.03131	0.7
223.04010	1.8
224.04764	1.5
239.03474	9.6
240.04239	4.3
252.04294	1.4
267.03040	8.3
268.03769	78.4
269.04199	1.0
283.06122	100.0
284.06430	1.3
296.06674	0.8
325.07129	1.7
401.21680	1.2
443.22913	5.2
487.25311	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	487.1252
Annotation	Acacetin 7-(6'-acetylglucoside)
Peak:m/z	Relative Intensity
57.03427	0.5
59.01387	11.8
60.01700	0.2
60.32959	0.2
61.82678	0.2
61.98822	1.9
62.95743	0.2
68.81644	0.2
71.01347	1.1
75.00833	0.2
85.02917	0.5
87.17426	0.2
89.02389	0.9
99.00850	0.5
101.02384	0.4
108.02085	0.2
113.02370	0.3
113.70361	0.2
131.64507	0.2
132.02165	6.0
148.01608	0.4
151.67450	0.2
195.04475	1.2
196.05333	0.3
211.04025	1.8
212.04820	0.9
223.04060	3.6
224.04785	7.0
226.75206	0.2
239.03534	4.6
240.04291	4.9
251.03500	1.5
253.04961	0.4
267.03009	23.5
268.03781	53.6
269.04211	2.1
283.06143	100.0
284.06439	3.6
328.73257	0.2
486.74200	0.3
487.25720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.125
Annotation	Glycitein 6'-O-acetylglucoside
Peak:m/z	Relative Intensity
50.80987	0.3
54.73182	0.4
57.03442	0.9
59.01390	8.9
71.01379	1.5
73.02900	0.4
79.02845	0.4
81.03458	0.4
85.02947	1.8
98.69060	0.4
123.00871	1.6
125.02441	1.4
125.03270	0.4
125.13345	0.4
132.02165	13.8
137.06055	3.6
143.05006	1.6
148.01663	1.8
155.05066	3.1
167.04988	1.6
171.04498	0.4
181.05081	11.6
183.04486	6.2
184.05252	0.8
195.04535	7.7
196.05325	2.3
210.03128	0.5
211.04039	16.2
212.04692	1.8
223.04037	9.6
224.04794	14.0
238.02750	0.8
239.03513	39.5
240.04285	20.8
251.03548	3.2
265.14401	2.0
267.03021	55.3
268.03796	99.5
269.04221	2.7
282.05353	6.8
283.06143	100.0
284.06458	2.4
332.95929	0.4
343.10416	0.7
365.71567	0.5
444.10706	3.9
447.27875	0.5
472.10138	15.2
486.22952	0.6
486.73007	2.0
487.12546	34.9
488.12457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68105	0.4
54.82491	0.4
57.03458	0.5
59.01397	10.0
71.01391	10.7
71.46013	0.4
73.02970	0.5
78.95890	0.5
79.95746	0.4
83.01397	0.6
85.02960	3.1
85.04063	0.5
87.00883	2.3
89.02448	4.9
95.01370	0.4
96.96011	31.1
97.95933	0.5
98.95589	11.7
98.96427	2.6
99.00892	0.6
99.92583	8.3
101.02438	4.7
107.25195	0.6
111.00854	0.6
113.02467	2.7
115.00365	2.3
115.92094	5.3
116.92076	0.8
116.92851	8.8
117.03465	25.1
119.03595	1.2
119.05026	38.2
121.02955	23.5
121.03622	0.5
125.02483	0.6
128.03529	0.5
132.05811	0.5
133.03003	0.6
133.06612	1.9
134.03731	0.5
145.02962	100.0
146.03275	1.0
147.04550	0.7
149.02483	1.1
157.06134	0.5
161.06093	4.3
163.04021	33.8
164.04813	2.2
164.07175	1.7
171.10187	0.6
171.37485	0.4
177.05544	2.9
178.02907	0.5
179.07191	0.6
188.03343	0.4
205.05046	5.8
206.08287	0.9
223.06113	1.1
235.06120	1.9
237.04053	2.2
265.07181	6.7
307.08215	4.3
325.09390	2.5
329.37198	0.5
356.37363	0.5
415.40485	0.5
427.12634	0.8
451.07245	2.1
467.25034	0.6
469.08099	0.5
487.09137	2.6
487.14740	36.4
488.15015	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60826	0.2
57.03458	0.5
58.74807	0.2
59.01387	100.0
60.01731	0.3
71.01382	6.9
71.01754	0.3
73.02949	14.6
73.95113	0.3
82.95422	1.2
83.01381	3.3
85.02962	1.1
87.19513	0.2
89.02441	2.0
92.11771	0.4
96.19717	0.2
97.02918	0.3
101.02441	10.3
101.03072	0.4
113.02457	3.3
119.03515	1.0
125.02447	0.3
131.03529	1.2
143.03542	1.2
149.04552	2.8
155.03606	0.2
161.04556	4.3
172.38510	0.3
179.10893	0.4
183.04608	0.3
203.05714	0.5
211.04176	0.5
221.06635	1.9
223.13510	0.4
239.03487	1.8
240.04076	0.4
249.24182	0.3
267.03104	0.9
268.03766	2.1
282.05484	0.6
283.06219	1.9
419.58755	0.3
432.03738	0.3
472.10385	1.3
487.12592	2.3
487.22180	0.5
497.91318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.219
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17907	1.4
59.01386	100.0
67.59144	1.6
71.01380	43.0
72.88276	1.5
72.99297	2.6
73.02947	52.1
77.13283	1.5
82.95418	1.8
83.01367	13.5
85.02956	11.9
87.00885	2.3
89.02435	12.3
95.01369	2.5
99.00876	2.4
101.02442	35.1
104.86997	2.0
113.02448	10.0
119.03493	2.4
128.03568	1.5
130.64394	1.7
152.15773	1.8
170.80771	1.6
221.15457	23.7
268.03772	4.0
283.06161	3.5
374.36517	1.9
383.20749	11.3
400.85892	1.9
401.21768	28.7
443.22910	99.6
444.23456	2.5
457.96176	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	487.3062
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
52.31598	0.5
57.03454	0.9
59.01379	2.9
92.11736	1.5
96.96040	0.9
164.36908	0.8
167.38898	0.7
240.90440	0.7
419.49734	0.7
451.33124	1.3
487.30640	100.0
488.30865	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	488.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22999	0.2
52.52587	0.2
58.02983	1.4
59.01384	1.1
67.37316	0.2
70.02973	0.4
71.01391	18.3
75.25349	0.3
77.03947	0.2
77.12521	0.3
85.04066	0.6
88.04075	0.2
90.98600	0.9
91.05543	0.4
96.80212	0.2
96.96001	4.3
98.95588	4.0
98.96416	0.4
99.00891	0.2
99.92588	1.5
100.92620	0.4
100.93439	0.2
101.41535	0.2
101.92486	0.2
115.00368	9.2
115.92066	1.2
116.92111	0.5
116.92854	2.2
117.92882	0.4
121.02952	100.0
122.03288	1.5
134.03671	0.3
145.03020	0.3
147.04556	2.1
147.89645	0.3
157.06148	0.4
158.06456	0.3
164.07172	5.8
167.10825	0.5
206.08234	5.8
237.04054	11.3
249.05557	0.3
254.05374	0.5
388.01596	0.2
452.07370	0.6
488.09430	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19918	0.2
55.69962	0.3
59.00202	0.2
59.01385	0.7
70.02975	0.4
70.57513	0.3
70.61578	0.3
71.01382	1.5
71.89696	0.3
74.02480	1.0
82.02995	0.7
84.04536	1.1
85.02924	0.5
87.00860	0.3
88.04045	1.7
89.02436	0.6
91.74539	0.2
100.04036	0.5
101.02422	1.9
102.05602	55.4
103.05942	0.4
115.00376	1.9
116.03481	0.5
126.01963	0.5
128.03529	38.0
129.01961	2.0
132.03017	3.4
132.06671	1.1
133.01418	2.0
144.03046	0.4
145.01480	1.1
145.06218	0.4
145.09802	0.3
146.04594	100.0
146.08231	1.5
147.03033	2.5
147.04951	1.3
210.44597	0.3
341.10889	1.2
342.11063	0.5
390.05896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	4.2
57.03193	1.2
57.03458	28.0
59.01389	17.3
63.77859	0.6
71.01382	6.7
72.99317	5.4
73.02945	1.6
75.00862	3.3
83.01379	7.6
84.02148	1.0
85.02951	100.0
85.11745	0.6
87.00853	1.0
89.02433	0.6
89.04002	0.6
101.02434	3.2
111.00893	12.0
113.86430	0.7
117.03416	5.1
119.04967	0.7
121.02950	26.5
129.01942	47.3
131.05042	1.3
133.06584	5.5
134.03738	44.0
135.04483	1.6
143.05081	0.8
144.23291	0.6
147.03003	4.1
149.06091	3.0
151.00403	1.5
159.04456	0.7
160.01701	2.9
161.06108	4.0
173.00922	8.6
175.04018	3.9
178.02724	2.8
189.05598	5.4
191.02090	0.9
193.05061	25.6
251.03181	0.9
251.05652	15.6
261.07623	1.3
271.06195	2.4
285.04111	0.9
295.04602	2.5
323.07861	1.1
367.06656	2.5
387.16846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	6.3
57.03466	29.2
57.66286	0.6
59.01110	0.8
59.01390	16.5
62.96293	0.7
63.71074	0.6
71.01398	10.8
72.99308	11.3
73.02943	1.5
74.22868	0.7
75.00863	4.9
75.90897	0.6
83.01386	12.9
84.02172	1.0
85.02956	100.0
87.00920	0.9
89.02425	0.7
99.04562	0.9
100.53193	0.6
101.02444	4.8
103.82630	0.6
107.01317	0.9
111.00883	21.7
112.15384	0.7
113.02425	0.9
114.93437	0.8
115.00366	4.0
115.16107	0.7
117.03458	4.2
119.03478	0.8
121.02943	26.5
125.02363	0.9
129.01935	41.4
133.02954	1.0
133.06573	5.6
134.03734	34.3
135.04504	5.2
137.02408	1.0
145.02940	0.8
147.02969	3.2
149.06070	3.1
151.00385	1.4
157.06184	0.9
160.01627	2.9
161.06064	3.5
163.07599	0.7
173.00905	11.3
175.04030	2.8
178.02696	0.9
189.05582	3.7
191.02011	0.8
193.05052	22.8
200.04803	0.7
227.03471	0.8
251.05614	19.3
261.07748	1.5
284.03302	4.2
285.04056	11.9
294.84631	0.7
295.04633	2.5
313.05908	0.9
345.15604	1.3
367.06696	1.4
489.10400	4.4
489.27051	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	489.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13449	0.5
55.01884	4.9
57.03456	31.9
59.01387	39.7
59.36045	0.6
59.83350	0.6
60.78349	0.6
63.51425	0.6
67.01905	1.3
67.61166	0.7
68.94341	0.6
71.01384	12.3
72.99309	9.1
73.02949	4.3
75.00887	3.6
79.99951	0.7
83.01402	10.3
84.02151	1.0
85.02950	100.0
87.00867	0.9
89.03967	1.3
89.89069	0.6
101.02441	4.8
111.00878	17.8
111.04579	0.6
112.35675	0.8
113.02464	0.7
117.03502	6.3
119.04999	0.7
121.02952	34.2
126.90518	1.0
129.01938	45.9
131.05058	2.9
133.06586	6.1
134.03740	52.9
135.04549	4.4
135.11810	0.8
136.01657	0.8
139.49799	0.8
143.05096	1.1
147.03001	3.6
149.06091	4.6
151.04015	1.5
159.04546	1.1
160.01686	2.9
161.06137	5.8
163.16806	0.8
165.72923	0.8
173.00952	14.0
175.03995	5.4
177.12880	0.8
178.02666	2.9
179.10800	15.0
189.05597	7.5
191.01944	1.0
193.05069	32.2
193.12357	1.5
213.05585	5.0
221.11913	2.7
223.09766	1.3
239.03366	1.0
240.04030	0.9
241.05067	14.6
251.05626	21.9
261.07773	1.5
263.41235	0.7
283.06256	1.5
283.11862	4.2
285.04016	2.9
285.07544	0.9
295.04636	4.2
313.05807	0.9
323.07718	3.2
325.12888	1.1
327.12247	1.0
367.06735	3.4
385.15033	3.4
396.61246	0.7
445.17072	1.3
477.10663	0.9
489.21069	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23703	0.6
50.68401	0.6
57.03448	3.0
59.01385	47.0
61.98804	1.1
63.39610	0.7
66.67831	0.6
68.66952	0.6
73.02914	1.5
73.14959	0.6
83.01386	1.4
85.02940	7.3
89.02423	1.5
93.03445	1.3
97.68227	0.8
101.02434	3.9
102.19991	0.8
102.20641	0.8
107.01376	2.9
111.00852	0.9
113.02414	0.8
119.03510	1.0
121.02944	1.6
129.01961	0.9
132.02151	1.6
134.03758	1.1
135.00847	4.0
137.02470	0.8
151.00327	1.5
156.05911	0.7
159.04456	1.6
163.00360	4.1
183.04524	1.5
185.02425	1.1
185.06056	1.5
187.04004	4.0
195.04469	0.9
199.04173	1.2
211.04018	2.9
213.05650	3.4
227.03513	51.4
229.05043	13.6
238.96999	0.8
239.03467	3.0
241.04997	4.4
255.03011	88.9
256.03659	3.2
257.04605	6.0
267.03156	1.2
276.19650	0.8
284.03278	100.0
285.04071	97.9
310.23138	0.8
345.15512	5.4
387.16656	4.4
445.16248	1.2
489.10410	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.6
59.01387	1.0
60.16153	0.4
71.01383	21.5
72.99305	5.6
73.95242	0.4
81.73076	0.5
85.02944	12.7
85.75069	0.7
87.00860	3.9
88.04070	3.6
89.02434	4.5
101.02423	4.9
102.05596	53.0
103.04027	4.6
103.05929	10.6
105.46878	0.5
115.00359	61.7
116.00651	0.6
128.03526	33.0
129.01924	31.3
129.03879	8.6
129.58418	0.5
131.04527	0.5
132.02115	0.7
132.03032	8.8
133.01419	100.0
133.05052	1.1
146.04593	87.0
147.03009	42.4
147.04915	22.1
191.02042	0.5
232.64461	0.5
447.39853	0.5
466.24341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06960	0.4
54.82475	0.5
55.01880	2.3
57.03424	0.7
58.00597	1.0
59.01387	82.0
66.21805	0.6
71.01381	37.7
72.99320	1.9
73.02946	46.7
75.15614	0.6
76.57433	0.7
78.95897	0.7
79.86600	0.6
83.01389	10.6
85.02956	8.0
87.00858	3.4
88.27432	0.6
89.02439	10.0
97.02953	0.6
97.10911	0.5
99.00848	1.4
101.01765	1.3
101.02434	36.5
112.04991	0.5
113.02453	10.1
119.03469	1.3
125.02444	1.0
131.03511	0.6
143.03522	0.8
149.04469	0.9
161.04564	2.8
223.17044	26.2
241.18137	6.2
262.01968	0.5
270.66992	0.6
289.73566	0.6
308.30084	0.7
348.90097	0.7
385.22372	9.6
403.23392	21.9
445.24466	100.0
489.26920	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	489.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82462	2.2
55.87091	2.1
59.01387	100.0
68.99559	2.4
70.54513	1.9
71.01385	36.7
73.02927	12.9
74.38429	2.0
83.01368	2.9
85.02949	14.9
87.00854	2.4
89.02448	32.6
99.00876	16.4
101.02406	21.6
113.02454	14.2
119.03462	5.0
138.27373	2.2
149.04501	3.8
161.04582	3.3
177.56429	2.1
179.05606	2.6
191.05692	2.6
224.81367	2.4
350.21362	2.1
353.46921	2.2
447.22232	18.3
489.23441	22.1
489.28571	3.2
501.49350	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	489.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82334	0.7
51.24931	0.7
55.01892	5.2
57.03199	1.1
57.03456	22.6
59.01387	74.0
60.17057	0.7
61.55210	0.6
61.98816	0.9
67.01903	0.8
67.06223	0.6
71.01045	0.9
71.01389	18.1
71.05034	1.0
72.99288	3.4
73.02946	8.9
75.00871	1.0
76.01307	0.7
81.03443	3.0
83.01389	8.0
85.02956	59.2
87.00855	5.0
89.02422	4.8
92.11736	1.7
95.01383	2.8
97.02911	0.8
99.00894	1.5
99.04503	3.3
101.02434	17.8
103.77637	0.7
111.00871	7.8
113.02451	6.3
117.03457	3.3
119.05035	0.9
119.08636	1.1
120.05809	1.0
120.10273	0.7
121.02937	16.1
122.03755	0.8
123.00871	1.0
125.02421	4.4
129.01924	12.8
133.06580	1.3
133.10190	1.6
134.03734	11.8
135.08119	4.1
135.11803	1.8
135.31079	0.7
137.09726	13.9
143.03462	0.8
145.02914	4.7
147.02940	1.6
149.06050	1.2
151.00404	6.4
153.09209	1.8
160.01648	2.7
161.04552	3.9
161.06046	1.3
161.09692	5.6
163.07651	11.8
173.00920	1.6
175.03943	4.6
179.10754	7.4
181.08708	8.3
188.69142	0.8
193.05048	6.9
197.11861	0.8
215.01987	1.1
223.09766	4.5
251.05507	4.9
265.12878	4.5
284.03192	4.7
285.04050	15.7
295.04626	1.3
345.15558	1.5
451.21860	0.8
471.22351	3.2
489.11432	2.6
489.23398	100.0
490.23724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89003	0.3
57.49747	0.3
58.76374	0.3
60.54793	0.3
61.98838	100.0
67.36457	0.3
68.10531	0.3
68.75046	0.3
78.95895	0.4
116.92944	0.6
146.90445	0.3
181.17787	0.3
231.92139	0.3
259.76947	0.3
333.25879	0.4
433.58270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
58.02948	0.4
59.01382	6.4
61.58654	0.5
61.98829	2.1
64.35378	0.4
65.00307	0.5
71.01389	7.7
74.02472	0.5
78.10386	0.5
82.02974	3.6
83.01382	0.7
84.04539	0.6
85.04073	41.4
86.02484	0.9
87.05631	9.7
88.04034	6.7
92.66901	0.6
96.95986	0.5
101.02422	0.6
102.00185	5.5
105.81109	0.5
108.02188	5.6
109.04060	2.9
111.02016	0.7
111.27891	0.5
112.31957	0.5
113.03567	2.1
119.02833	4.0
123.04511	3.3
125.09701	2.8
127.05129	8.9
128.03537	72.1
133.02917	0.7
135.05630	5.3
136.35133	0.5
145.06183	3.2
150.06709	0.6
152.01135	13.3
152.07184	0.7
152.08286	5.8
153.06702	3.6
157.06186	50.7
158.06433	0.5
159.07784	2.2
166.00902	0.7
166.06161	4.1
167.03482	15.2
169.08672	0.9
174.02307	12.2
178.06253	3.0
179.04631	7.1
181.06589	0.6
184.04877	2.4
184.07240	3.5
191.04977	3.1
196.07292	12.1
197.05716	0.8
211.04024	0.5
214.08273	1.0
224.10390	1.0
224.36818	0.5
235.84976	0.5
239.03467	0.7
248.07146	1.1
255.02995	0.9
256.03412	1.0
268.03778	11.4
268.09418	3.8
269.04572	37.8
284.03293	1.9
285.03763	3.0
286.04340	2.1
286.10474	12.7
302.08197	2.7
317.04886	0.7
320.09238	100.0
431.09784	8.7
490.10849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
58.02948	0.4
59.01382	6.4
61.58654	0.5
61.98829	2.1
64.35378	0.4
65.00307	0.5
71.01389	7.7
74.02472	0.5
78.10386	0.5
82.02974	3.6
83.01382	0.7
84.04539	0.6
85.04073	41.4
86.02484	0.9
87.05631	9.7
88.04034	6.7
92.66901	0.6
96.95986	0.5
101.02422	0.6
102.00185	5.5
105.81109	0.5
108.02188	5.6
109.04060	2.9
111.02016	0.7
111.27891	0.5
112.31957	0.5
113.03567	2.1
119.02833	4.0
123.04511	3.3
125.09701	2.8
127.05129	8.9
128.03537	72.1
133.02917	0.7
135.05630	5.3
136.35133	0.5
145.06183	3.2
150.06709	0.6
152.01135	13.3
152.07184	0.7
152.08286	5.8
153.06702	3.6
157.06186	50.7
158.06433	0.5
159.07784	2.2
166.00902	0.7
166.06161	4.1
167.03482	15.2
169.08672	0.9
174.02307	12.2
178.06253	3.0
179.04631	7.1
181.06589	0.6
184.04877	2.4
184.07240	3.5
191.04977	3.1
196.07292	12.1
197.05716	0.8
211.04024	0.5
214.08273	1.0
224.10390	1.0
224.36818	0.5
235.84976	0.5
239.03467	0.7
248.07146	1.1
255.02995	0.9
256.03412	1.0
268.03778	11.4
268.09418	3.8
269.04572	37.8
284.03293	1.9
285.03763	3.0
286.04340	2.1
286.10474	12.7
302.08197	2.7
317.04886	0.7
320.09238	100.0
431.09784	8.7
490.10849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.7
64.07564	0.6
78.50267	0.6
78.95902	100.0
92.65825	0.7
96.96963	7.7
106.47655	0.6
113.65540	0.6
131.58206	0.7
152.99586	16.4
171.00639	20.9
172.93849	0.7
227.13753	0.6
267.30215	0.7
416.22372	1.3
490.25848	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02229	0.5
59.35149	0.5
60.61583	0.5
62.48859	0.4
62.55546	0.5
64.63046	0.5
72.85811	0.6
75.53703	0.5
78.95911	100.0
87.04500	0.5
96.96968	8.0
103.76646	0.5
127.12685	0.7
152.99603	14.6
171.00645	18.8
172.19873	0.7
177.65662	0.6
260.81796	0.7
286.10999	0.6
308.31299	0.5
372.98599	0.6
454.48944	0.7
490.25885	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05798	0.2
54.82817	0.2
59.01383	5.2
60.34577	0.2
63.02392	0.5
65.00304	0.3
73.63070	0.2
78.36453	0.2
79.95263	0.2
85.02970	0.5
107.01393	1.0
120.42297	0.2
124.07548	0.2
128.03497	0.2
132.02156	1.2
133.02942	3.3
135.00923	0.3
135.04507	1.0
151.00371	0.5
157.02911	0.3
159.04509	1.3
169.06511	0.4
173.77632	0.2
180.05846	0.9
181.06552	1.6
183.04564	0.9
196.05331	0.4
197.06001	0.4
201.05577	1.7
211.04034	1.1
213.05576	0.9
214.70325	0.3
224.04865	1.9
225.05562	1.4
225.11507	0.3
226.77373	0.2
238.63963	0.2
239.03488	2.9
240.04247	1.2
241.05022	0.5
244.14307	0.3
253.04970	0.5
267.03046	3.1
268.03784	29.5
269.04572	100.0
270.04828	1.6
291.06802	0.4
311.05591	0.4
431.09845	22.5
432.09833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.141
Annotation	Pregnenolone-3,21-disulfate
Peak:m/z	Relative Intensity
50.97034	1.8
57.03436	4.1
59.01383	31.4
67.01878	4.4
68.99799	2.2
71.01384	31.4
72.99277	11.3
73.02917	7.9
75.00856	19.8
75.19034	1.7
77.17847	1.8
78.95879	3.3
81.03421	2.9
83.01392	3.2
85.02956	26.8
87.00849	4.6
89.02421	9.4
95.01360	10.9
96.95984	11.5
99.00856	13.3
103.00381	3.6
108.02178	17.3
109.02927	2.5
111.00832	4.4
113.02451	27.4
117.01925	2.7
123.00882	3.4
123.03662	3.6
123.04514	77.1
125.02409	8.8
128.03545	7.3
129.01917	3.5
134.03711	3.1
137.02408	4.7
139.00308	3.3
166.02713	5.0
166.99658	1.9
167.03482	73.2
182.05771	2.3
227.05504	2.5
231.02438	2.0
231.05115	2.4
241.07173	33.4
248.90607	1.9
249.06169	47.0
391.73883	2.0
434.87808	2.1
491.13989	100.0
496.42792	2.4
503.91025	2.5
512.00604	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	491.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45354	0.4
57.03440	5.6
59.01155	0.6
59.01385	9.0
71.01392	4.8
73.02930	1.1
74.56527	0.5
81.03450	7.0
82.95393	1.1
83.01383	6.6
85.02930	2.2
85.04028	0.6
88.04031	1.1
88.98785	2.5
89.02446	5.7
94.98045	0.7
96.95983	3.3
99.00893	1.1
99.04510	0.6
101.02418	2.8
107.01347	0.9
109.03036	0.7
112.35775	0.6
113.02412	1.0
119.05029	1.3
123.04506	45.8
123.26709	0.6
123.32430	0.6
125.02429	48.4
128.03523	1.1
132.02992	0.9
133.02960	0.6
137.06090	1.4
149.02444	3.0
151.00354	2.6
157.06197	0.7
163.03935	0.7
166.02702	0.7
167.03487	100.0
168.03757	0.6
209.04573	1.4
227.03685	0.6
233.86412	0.6
298.45764	0.6
311.08109	0.7
329.08673	2.4
431.15524	5.8
447.18658	1.3
449.13196	4.2
491.14078	39.0
492.14438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03966	0.1
58.00613	0.1
59.01394	2.8
68.05058	0.2
69.03448	0.3
71.01384	5.9
72.99307	0.6
73.02950	5.5
75.00872	3.7
78.16483	0.2
84.44904	0.1
87.00876	3.0
89.02441	31.3
97.92191	0.1
101.02454	0.4
103.04008	2.2
131.03494	7.5
135.02994	2.3
146.04599	0.2
149.04555	100.0
150.04944	0.7
343.24130	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1774
Annotation	Rhyncoside D
Peak:m/z	Relative Intensity
57.03440	3.8
59.01385	59.3
60.01709	3.3
61.01790	1.0
71.01382	16.3
72.80147	0.5
72.99294	5.4
73.02931	2.4
75.00867	29.4
80.32485	0.5
81.03426	0.6
83.01387	1.1
83.05016	0.5
85.02948	17.1
87.00867	7.6
89.02443	5.3
92.73546	0.6
95.01378	3.2
96.95979	0.8
99.00870	9.8
99.04490	1.1
99.45657	0.7
101.02400	0.7
103.00372	2.9
113.02444	20.3
115.00352	2.3
117.01907	1.2
119.08671	0.7
125.02422	3.1
135.08173	0.7
137.09689	4.9
151.00365	0.9
157.01468	0.8
161.09729	0.7
163.07680	0.9
164.00452	0.6
175.02530	1.1
179.10808	3.9
181.08656	5.7
197.11855	2.6
210.61052	0.6
223.09758	0.9
226.48300	0.6
228.46881	0.6
231.05045	0.9
249.06258	6.0
259.06079	1.2
267.07217	12.5
269.04605	1.1
287.05679	0.8
315.14572	2.7
319.32242	0.6
376.61697	0.6
429.17612	1.0
431.15656	1.3
473.16632	1.0
491.17761	100.0
492.17889	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	491.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58174	19.1
53.07748	17.2
60.95252	19.7
61.98830	26.6
78.95892	100.0
105.58315	23.9
114.39414	22.9
152.99620	39.8
175.78529	23.0
213.77673	23.5
235.46181	27.2
258.28345	25.5
267.22324	26.9
269.04446	30.8
302.01984	23.2
463.80768	28.0
512.88013	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	492.2733
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
55.07193	0.2
57.89975	0.2
67.56718	0.2
75.17960	0.2
78.95898	100.0
87.56598	0.2
91.15590	0.2
96.96320	0.4
96.96948	8.9
99.04535	0.3
103.60253	0.2
110.02478	0.3
135.52628	0.2
140.01180	0.4
150.98006	0.3
151.35083	0.2
152.99588	15.5
171.00642	20.4
273.37515	0.2
295.22910	0.3
418.23737	1.8
492.27362	52.6
493.27557	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	492.2736
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
57.44170	0.3
59.01377	2.1
61.98834	0.6
68.08506	0.3
72.14854	0.3
78.95903	100.0
96.96952	9.4
111.14870	0.4
131.15395	0.4
150.32826	0.3
152.99590	15.0
171.00644	19.5
208.19618	0.4
295.22861	0.5
319.88223	0.4
331.83823	0.4
418.23657	2.2
445.53775	0.4
492.27393	52.2
493.27310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2738
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
51.22419	0.7
57.03451	0.9
59.01372	3.4
61.98819	1.4
62.35479	0.7
64.51574	0.7
71.01389	0.9
78.95907	70.7
88.29025	0.7
92.12300	1.5
96.96964	1.3
104.64079	0.8
113.09711	4.3
140.01198	12.4
152.99615	8.2
171.00671	5.7
179.14447	1.1
195.13922	19.6
196.03810	15.3
214.04936	1.6
215.33769	0.8
225.18347	0.8
242.63631	0.8
254.34535	0.8
277.21747	26.1
295.22815	100.0
492.27402	87.4
493.27371	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	493.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50445	0.5
55.01893	5.2
57.03454	24.9
59.01379	3.1
67.01884	0.8
68.99837	0.8
71.01371	5.6
72.99306	2.8
73.02945	1.1
75.00858	0.5
83.01383	8.3
84.02158	2.3
85.02950	100.0
87.00848	0.8
87.30249	0.5
101.02460	1.2
106.00599	0.7
109.02967	0.6
111.00880	13.6
121.02946	49.0
123.00867	2.4
125.62334	0.5
129.01942	34.6
131.05026	0.8
133.06595	3.5
135.04539	1.2
137.02469	0.7
138.03244	2.9
139.00346	2.3
139.04033	1.1
147.02972	7.3
153.05562	12.3
161.06078	1.4
166.99919	0.7
173.00923	8.2
182.02209	3.3
185.29851	0.5
189.05579	4.5
189.31688	0.6
191.01979	3.0
196.03770	1.0
197.04559	17.2
216.21515	0.6
237.07719	0.6
243.06482	0.6
251.05646	6.2
254.78046	0.5
265.07138	5.3
271.06125	1.3
295.04660	3.1
313.05646	2.4
327.07263	7.3
351.57092	0.6
371.06027	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01702	0.4
55.01885	6.9
56.81506	0.5
57.03457	30.4
59.01369	3.9
62.03024	0.5
67.01863	0.6
71.01379	5.6
72.90832	0.5
72.99313	4.2
73.02922	0.6
75.00865	1.2
83.01391	5.8
84.02170	1.2
85.02949	100.0
86.03265	0.9
87.00862	0.9
89.00323	1.1
91.01899	0.9
99.00880	0.8
101.02428	0.8
106.00565	1.0
111.00876	13.6
113.02617	0.5
121.02940	55.6
123.00866	1.4
127.00337	0.8
129.01923	51.6
131.05005	1.0
133.06581	5.6
135.04469	2.8
138.03215	3.5
139.11349	0.8
145.01401	0.7
147.02977	3.2
153.05566	20.6
159.04530	0.7
161.06122	5.0
166.99945	0.7
170.26523	0.5
172.07803	0.6
173.00908	8.1
182.02260	5.0
189.05605	5.5
191.02016	2.7
197.04567	35.6
237.07611	0.8
251.05624	11.4
265.07156	2.4
295.04660	1.1
313.05634	0.9
327.07208	3.0
371.06097	2.7
493.19330	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	493.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21236	0.3
51.89016	0.3
53.08696	0.4
53.21260	0.4
55.01881	5.8
57.03455	27.9
59.01382	2.3
59.83372	0.4
68.99813	0.5
71.01389	3.9
72.99296	1.7
73.02958	0.7
75.00876	1.1
83.01382	5.6
84.02164	2.6
85.02948	100.0
86.03290	0.5
87.00894	0.8
89.00347	0.5
92.47018	0.5
101.02440	0.7
111.00875	12.9
121.02947	44.5
123.00871	2.5
129.01936	36.3
133.06635	2.4
134.18396	0.5
135.04488	1.0
138.03227	2.4
139.00366	1.0
139.04054	1.0
145.01489	0.5
147.03029	5.1
153.05595	9.2
161.06123	2.5
164.68726	0.4
166.99899	0.7
173.00900	7.4
182.02251	3.9
185.89728	0.5
189.05615	2.5
191.02039	1.7
197.04562	14.8
207.03027	0.6
222.05370	0.8
237.07745	0.8
249.06114	0.5
251.05634	3.3
265.07178	4.6
295.04517	0.8
312.05255	0.5
313.05667	2.2
327.07263	5.3
371.06119	0.7
400.16544	0.5
493.19360	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	493.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.5
57.03454	22.9
59.01378	5.4
71.01380	4.2
71.37729	0.5
72.99299	0.8
73.02948	0.9
82.13689	0.5
83.01382	6.3
84.02173	1.0
85.02944	100.0
88.20370	0.5
89.20839	0.5
89.34286	0.5
111.00874	13.3
121.02935	28.0
123.00947	0.7
129.01926	33.2
133.06560	0.8
138.03220	1.3
139.00403	1.3
147.03004	8.4
153.05531	4.8
161.06055	0.9
173.00926	8.7
182.02206	1.3
189.05626	0.7
191.02084	1.1
197.04585	8.2
207.09550	0.5
222.05371	0.6
237.07552	0.7
251.05641	1.4
253.05110	1.3
257.98315	0.6
265.07196	3.6
269.04608	0.8
295.04666	2.3
313.05731	1.4
327.07275	7.3
347.93695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60930	0.3
54.82585	0.3
55.01889	5.6
56.23591	0.3
57.03458	22.2
59.01386	5.1
61.98843	0.4
62.35169	0.4
67.01874	0.5
68.99832	0.4
71.01381	4.5
72.99312	1.6
73.02937	0.7
75.00853	0.8
80.46294	0.3
83.01387	6.9
84.02158	1.5
85.02950	100.0
86.03279	0.4
87.00874	2.1
89.00345	0.7
91.01891	0.5
99.00869	0.3
101.02469	0.5
102.74946	0.3
105.19964	0.4
106.00603	0.7
111.00157	0.4
111.00875	12.2
114.09467	0.4
121.02950	37.9
122.03317	0.5
123.00885	2.2
128.03497	0.5
129.01944	17.4
131.05013	1.7
133.03008	0.6
133.06567	4.7
135.04512	1.8
138.03236	1.9
139.00360	1.5
147.03009	3.8
153.05586	13.4
159.04506	0.7
160.22194	0.4
161.06090	3.7
166.99942	0.6
168.17859	0.4
173.00902	6.9
182.02271	2.1
189.05611	5.2
191.02029	2.3
197.04568	21.9
251.05603	4.4
255.55449	0.4
265.07227	3.1
268.03888	0.4
269.04477	1.5
270.04813	2.9
271.05228	1.9
295.04700	2.3
313.05786	2.3
327.07199	4.5
351.73535	0.4
371.06454	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	493.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86039	0.1
55.31123	0.1
57.03460	2.1
58.93937	0.1
59.01379	1.7
60.99306	0.3
61.98838	0.3
63.46889	0.1
69.96018	0.1
71.01376	0.7
72.99326	0.2
73.02924	0.2
76.59325	0.1
78.95889	0.3
79.95734	1.4
83.61845	0.1
85.02955	1.5
88.98799	3.1
89.02428	0.2
92.12333	0.3
96.96001	100.0
99.04525	1.1
101.02457	1.1
113.02466	0.2
114.93409	0.7
121.02950	0.6
125.02455	0.9
161.04640	0.2
167.03568	0.3
197.04631	0.2
241.02502	0.1
251.11394	0.9
293.12506	0.7
358.69342	0.1
395.15500	1.9
403.16171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.2
57.03468	2.5
59.01398	2.2
59.13213	0.1
61.98843	1.4
62.07741	0.1
64.06794	0.1
65.56882	0.1
71.01378	0.9
73.02940	0.2
78.95911	0.4
79.95753	1.3
82.95409	0.4
85.02973	1.4
86.81113	0.2
89.02461	0.4
96.96008	100.0
99.04534	1.3
101.02443	0.9
111.00932	0.2
111.63927	0.2
113.02461	0.6
114.93362	0.6
121.02943	1.0
125.02457	1.0
128.03502	0.2
129.01953	0.8
135.81068	0.2
145.99500	0.1
151.00423	0.3
157.06171	0.2
161.04642	0.2
197.04713	0.2
219.10912	0.2
244.02673	0.2
249.20551	0.2
251.11430	1.0
287.01935	0.9
293.12393	0.2
314.07971	0.2
349.14853	0.2
395.15585	1.7
433.16425	0.2
449.07330	0.3
462.35272	0.2
492.60181	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	12.9
56.02261	0.5
57.03188	0.8
57.03452	15.9
59.01380	3.5
65.00344	0.5
67.01884	0.9
67.62852	0.4
68.99827	1.2
69.32336	0.4
71.01370	3.8
72.99306	4.1
80.02651	1.0
81.03441	1.2
83.01383	29.9
83.05006	3.6
84.02164	9.9
85.02946	82.6
86.03277	0.4
87.00883	0.5
93.03447	100.0
93.70239	0.5
94.04243	1.1
95.05030	0.8
99.00862	2.4
99.04508	91.7
100.04916	0.5
101.02428	0.9
108.02166	2.0
108.38258	0.5
109.02956	7.3
109.06583	29.1
110.03748	4.3
111.00873	56.5
111.04516	8.6
111.08151	7.5
113.06101	0.5
114.45139	0.6
121.02929	2.3
121.06584	14.6
123.04491	5.5
123.08121	0.9
124.05300	2.2
129.01932	23.9
136.01624	2.2
137.02437	90.5
137.06029	2.1
138.06793	0.5
139.06548	1.0
139.07646	31.1
147.03046	0.8
149.06088	4.8
159.04524	1.0
165.05513	0.8
167.07130	28.1
173.00908	5.0
177.05530	5.8
187.24127	0.5
195.85341	0.5
205.05051	10.0
211.06122	19.2
211.08022	0.9
218.08749	0.5
229.07185	6.8
237.04086	1.9
249.04083	0.9
255.05139	6.0
267.05347	0.8
273.06158	11.9
293.03122	2.2
349.09338	0.9
373.11380	7.1
403.18063	0.5
493.30060	0.8
493.73254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60000	2.2
52.70199	2.6
55.01883	6.4
57.03461	26.1
59.01390	61.1
59.98539	2.7
61.98830	2.7
71.01389	22.5
72.99302	4.6
73.02958	3.7
75.00874	3.5
83.01389	21.2
83.05008	4.2
85.02476	4.0
85.02955	100.0
87.00872	2.6
89.02393	3.6
93.03445	28.6
99.04504	55.3
101.02435	12.2
108.02163	5.0
109.02957	11.1
109.06595	5.6
111.00895	26.0
112.51991	2.9
113.02469	14.6
119.04994	3.9
121.02925	7.2
121.06592	4.2
128.26157	2.9
129.01921	25.9
137.02457	25.5
139.07634	18.2
145.02998	5.2
152.01184	3.4
155.59076	2.7
158.70845	2.8
163.04039	3.7
167.07133	17.3
173.00911	4.2
177.05531	3.7
205.05153	5.4
211.06183	7.0
255.05176	4.9
273.06241	4.4
323.30746	3.1
493.23431	17.7
493.30038	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26670	1.0
53.43824	1.1
55.01891	9.1
57.03468	38.4
59.01109	2.2
59.01398	62.3
61.10717	1.1
71.01392	19.0
72.99327	1.7
73.02924	2.2
75.00884	3.0
75.60004	1.3
77.29868	1.2
78.95920	1.4
81.03487	2.3
83.01398	17.9
83.05043	3.1
84.02173	7.6
85.02958	76.8
87.00853	3.1
88.28349	1.3
89.02447	6.9
93.03458	26.2
99.04516	100.0
101.02446	15.1
108.59024	1.4
109.02962	8.5
109.06580	14.8
111.00881	21.3
111.04506	6.3
111.08168	5.6
113.02464	6.8
121.02983	2.7
121.06587	5.7
123.04560	2.6
125.02446	6.6
129.01929	12.9
137.02441	25.0
139.07654	27.4
149.06119	1.8
167.07137	43.3
173.00908	2.0
205.05045	2.1
211.06160	6.0
229.07161	3.0
273.06229	6.1
313.23645	10.9
331.24976	22.0
373.11554	1.7
493.23557	6.1
493.30231	63.5
493.74149	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	495.1517
Annotation	Tetracentronside A
Peak:m/z	Relative Intensity
57.03451	2.0
59.01388	24.6
61.98843	14.1
68.99450	1.4
71.01373	9.0
73.02940	2.6
75.00846	2.5
83.01356	2.3
84.26238	1.2
85.02918	11.3
89.02436	5.4
91.01878	3.0
95.01363	6.1
97.02920	1.7
99.04474	1.6
100.96755	1.6
101.02456	5.7
107.01349	1.4
108.02166	100.0
109.02213	2.8
109.02937	64.7
113.02417	5.7
119.05016	22.5
123.00832	2.6
123.04517	7.5
135.00877	9.3
151.00377	5.2
152.01135	98.2
153.01947	40.1
153.09212	5.6
167.03464	25.6
238.89549	1.5
239.09262	1.5
255.06625	24.3
268.03714	3.4
269.04471	14.2
271.06076	8.0
272.06494	1.4
315.07019	2.6
451.16031	20.4
459.12842	12.8
495.15088	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48780	0.4
50.78859	0.4
55.01888	1.8
55.09235	0.5
57.03451	0.7
58.00591	0.7
59.01384	100.0
65.74232	0.4
69.03463	1.1
71.01378	32.2
72.12402	0.4
72.99309	2.9
73.02942	17.4
75.00862	0.6
75.63505	0.5
83.01385	5.0
85.02955	11.1
86.00106	0.5
87.00851	5.4
87.04517	2.1
89.02438	33.8
95.01379	1.9
97.02976	0.7
98.09364	0.5
99.00898	0.8
101.02435	30.6
103.04003	7.9
113.02423	8.8
115.03963	3.4
119.03487	13.7
125.02441	1.1
131.03484	6.7
143.03491	9.6
145.05048	3.5
161.04605	0.6
163.06126	24.9
179.05695	3.3
186.50034	0.5
205.07182	10.1
265.09409	3.0
266.77246	0.5
269.04767	0.6
289.16718	3.3
435.22397	37.0
436.22531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58703	0.6
55.01893	9.1
57.03458	5.2
57.54506	0.6
58.00608	1.1
59.01393	100.0
59.13171	0.7
69.03461	1.9
71.01391	65.0
72.99308	1.5
73.02958	28.1
75.00869	1.0
81.03430	1.2
83.01391	19.3
83.07719	0.7
83.52511	0.7
85.02460	1.6
85.02958	37.5
87.00892	1.7
89.02445	9.8
95.01402	5.7
97.02958	3.8
99.00875	10.8
101.02440	46.1
103.04015	5.2
108.11009	0.7
111.00867	0.8
113.02448	23.9
119.03488	1.7
125.02452	6.2
127.11297	1.5
134.73360	0.7
143.03470	1.6
145.05089	0.8
147.43874	0.8
159.03011	4.2
161.04558	17.1
163.06148	1.7
247.08215	1.5
277.92868	0.7
280.68976	0.8
289.16602	40.7
307.10397	1.4
343.25775	0.9
435.22409	99.8
436.22672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.11
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70058	0.6
55.01880	0.7
56.85791	0.6
56.91174	0.8
61.98812	3.3
79.05524	3.9
86.85030	0.7
93.03431	2.0
95.01363	3.7
98.76411	0.9
105.03452	2.0
107.05009	3.3
109.02969	9.8
113.48061	0.8
119.05024	1.1
121.02907	7.2
122.03722	5.5
123.04510	66.6
133.02930	5.0
135.04524	17.1
136.01604	1.6
137.02452	6.1
145.02985	1.2
149.02441	15.4
150.03215	16.5
151.04004	25.5
161.02449	3.2
163.02733	1.3
163.04016	28.0
164.04651	1.0
165.05537	1.6
167.03459	5.5
177.01924	4.1
178.02713	5.9
179.03477	1.0
181.05087	7.5
181.06436	0.8
182.02174	1.5
193.05019	1.1
205.01443	2.0
206.02271	1.1
207.02936	4.7
208.03705	1.2
213.09283	0.9
227.07092	1.5
235.02220	1.0
239.07138	4.0
241.08722	5.8
243.06590	8.9
253.08531	1.2
255.06558	1.6
257.08145	13.2
267.06680	1.4
269.08185	10.2
281.08002	1.8
283.06165	1.5
285.07693	56.1
297.07739	12.8
313.07205	81.3
315.08762	21.1
325.06961	1.2
343.08218	26.7
355.08224	1.8
385.09210	1.2
415.10413	3.9
433.11435	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	496.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62489	0.3
53.39868	0.4
55.01911	0.4
57.03465	21.3
59.01393	16.1
61.98844	100.0
62.25535	0.4
62.46019	0.4
62.74947	0.4
71.01388	4.8
73.02956	2.0
77.45435	0.4
81.03452	0.5
83.01404	1.9
85.02978	2.6
86.45059	0.5
92.11670	1.0
99.00909	0.8
99.04517	17.4
101.02438	7.5
101.11387	0.5
113.02477	2.2
125.02445	5.2
149.03000	0.5
161.04652	1.1
168.07980	0.5
223.81779	0.5
225.17465	0.6
289.16656	4.6
331.17764	2.1
333.39105	0.6
432.01401	0.6
433.20761	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	497.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.5
55.10723	0.7
55.82190	0.7
57.03443	1.0
58.99598	1.0
59.01387	56.2
63.51335	0.7
64.26305	0.6
65.06608	0.7
66.06823	0.7
71.01382	20.7
72.99295	0.9
73.02952	10.6
73.04076	1.1
74.02475	5.0
74.99077	1.3
75.00872	5.1
77.80050	0.7
78.88535	0.8
82.02979	1.2
82.26257	0.7
83.01394	5.4
83.02523	1.3
85.02950	12.6
86.09100	0.7
87.00872	5.3
87.02672	0.8
89.02439	14.5
95.01364	1.5
99.00880	1.1
99.01977	5.9
99.04520	0.8
101.02444	19.5
108.02166	1.0
109.04083	1.2
111.00870	0.9
113.02458	8.4
113.03560	1.5
113.06078	0.8
115.08773	1.1
116.05074	5.5
117.05415	1.4
119.03497	5.6
119.05036	8.4
120.05327	1.5
123.04510	0.9
124.94257	0.7
125.02443	1.0
125.03606	1.0
125.07243	0.9
127.05122	4.4
128.03564	2.7
129.01915	1.5
131.03586	0.7
131.04620	1.1
134.06133	5.4
135.06401	0.8
137.07207	1.4
141.06686	4.1
142.06819	0.8
143.03436	1.0
143.09056	1.4
149.06633	0.9
152.01164	1.9
161.04572	5.4
161.10023	9.6
167.03442	1.8
170.09364	1.2
179.04608	7.2
180.05066	1.1
198.08716	1.2
203.08195	5.4
204.08618	1.7
206.09366	0.9
231.10544	1.1
244.15137	0.9
255.75526	0.9
289.16599	3.8
293.12582	1.0
294.12787	0.8
305.14462	1.5
323.15359	10.0
365.16379	3.9
370.14883	3.8
370.65198	1.3
411.16882	3.9
421.17188	3.3
421.67502	1.6
453.18060	100.0
454.18158	1.0
474.19376	1.2
474.69699	2.8
497.16385	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	497.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03458	1.6
59.01107	0.7
59.01393	17.1
64.75191	0.3
66.31734	0.4
66.95341	0.3
68.12863	0.4
70.48927	0.4
71.01387	6.7
72.99304	1.8
73.02946	9.0
74.02484	0.4
75.00874	100.0
81.03468	0.5
81.40589	0.4
83.01406	3.8
84.02193	0.5
85.02943	3.9
87.00885	0.5
89.02428	3.0
99.02001	0.7
99.04506	1.7
101.02430	6.6
108.02187	2.5
109.02972	0.7
111.00875	2.7
113.02463	2.7
113.06104	0.8
116.05052	0.4
119.05027	0.8
123.04540	0.8
127.04035	0.9
127.05086	0.4
129.01929	1.8
134.06107	0.5
148.16347	0.4
151.08815	0.4
152.01152	3.7
155.10764	0.6
161.04623	0.7
161.10092	0.7
167.03493	4.5
179.04733	0.4
187.15005	0.8
188.45436	0.4
203.08322	0.5
231.13892	11.7
231.95570	0.4
288.11914	0.4
415.20010	0.7
421.67676	0.6
453.18015	6.9
497.16870	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77999	0.4
54.43527	0.4
55.01877	4.1
57.03457	6.5
58.00592	1.0
59.01386	67.1
62.44194	0.4
62.48947	0.5
64.62298	0.5
69.03446	2.5
71.01382	57.8
71.05025	0.7
72.99302	3.3
73.02946	15.9
81.03434	1.1
83.01377	9.3
85.02946	22.8
87.00887	3.7
89.02438	34.5
95.01380	3.5
96.96005	2.2
97.02946	3.3
99.00879	6.5
101.02436	34.7
111.00877	5.5
113.02444	17.3
115.03955	1.0
119.03506	1.2
121.02930	3.1
125.02447	5.0
129.01917	0.5
131.02588	0.8
131.03500	12.5
143.03499	2.3
143.10764	3.5
149.04556	8.5
159.03001	1.1
160.03362	0.5
161.04549	8.1
163.54745	0.5
171.28729	0.5
191.05611	1.0
233.06657	2.3
293.08701	4.3
305.16089	14.7
353.18259	1.1
437.20331	100.0
438.20840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77999	0.4
54.43527	0.4
55.01877	4.1
57.03457	6.5
58.00592	1.0
59.01386	67.1
62.44194	0.4
62.48947	0.5
64.62298	0.5
69.03446	2.5
71.01382	57.8
71.05025	0.7
72.99302	3.3
73.02946	15.9
81.03434	1.1
83.01377	9.3
85.02946	22.8
87.00887	3.7
89.02438	34.5
95.01380	3.5
96.96005	2.2
97.02946	3.3
99.00879	6.5
101.02436	34.7
111.00877	5.5
113.02444	17.3
115.03955	1.0
119.03506	1.2
121.02930	3.1
125.02447	5.0
129.01917	0.5
131.02588	0.8
131.03500	12.5
143.03499	2.3
143.10764	3.5
149.04556	8.5
159.03001	1.1
160.03362	0.5
161.04549	8.1
163.54745	0.5
171.28729	0.5
191.05611	1.0
233.06657	2.3
293.08701	4.3
305.16089	14.7
353.18259	1.1
437.20331	100.0
438.20840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66762	0.5
54.82914	0.6
55.01865	0.7
57.03442	0.8
59.01392	53.3
68.29280	0.6
71.01388	25.7
71.37328	0.7
73.02951	1.7
78.95914	0.8
83.01380	1.4
85.02957	7.0
89.02444	20.7
94.29169	0.8
95.01371	1.6
101.02436	16.0
103.58318	0.8
113.02420	9.6
119.03531	5.4
121.02934	0.7
131.03479	0.7
151.07657	3.5
155.07480	0.7
163.44643	0.7
227.14381	0.9
255.17470	2.4
257.15359	0.9
273.18665	9.2
291.18192	2.6
299.16339	0.8
317.17642	14.4
437.24066	3.2
497.23990	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	497.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.2
55.10677	0.8
57.03450	3.4
57.40206	0.7
58.00596	0.8
59.01388	100.0
59.39065	0.7
61.98834	1.3
69.03444	0.9
71.01384	49.2
72.99304	3.2
73.02533	1.4
73.02943	36.9
75.30282	0.7
80.01258	0.8
83.00931	0.8
83.01392	17.5
85.02950	18.6
87.00860	1.0
89.02444	15.3
95.01352	3.4
95.14755	0.7
97.02930	0.8
99.00867	4.5
101.02440	52.3
103.04073	1.0
113.02445	17.0
119.03453	3.8
125.02423	1.4
131.03458	1.2
143.03551	1.5
149.04550	1.3
151.07634	1.3
161.04582	11.4
166.04521	1.0
179.73512	1.0
187.14920	5.1
231.13925	20.5
273.18625	4.9
291.18173	37.7
317.17575	4.8
437.23956	66.7
453.21350	5.7
461.95956	0.9
497.23984	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	499.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	6.0
59.01398	1.8
64.27856	0.8
67.01900	0.9
71.01371	0.9
72.99306	1.7
73.02928	0.8
83.01384	10.9
96.95982	1.4
99.04506	56.8
111.00865	23.4
111.01577	1.6
121.02939	100.0
131.05002	14.3
133.02968	5.0
133.06577	39.2
135.04530	1.2
143.05028	5.1
159.04460	7.2
161.06075	36.0
184.00081	0.9
189.05585	40.2
193.20988	0.9
202.71283	0.9
233.04590	8.8
240.79070	0.9
246.80231	1.2
254.03004	0.9
277.03589	4.0
323.27356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	7.0
59.01370	1.0
71.01360	0.9
71.77921	0.7
72.13789	0.7
72.99303	1.2
78.59113	0.8
83.01380	15.0
84.02142	1.4
85.02979	1.8
93.03445	0.8
99.04517	34.1
109.02971	0.9
109.06583	4.4
111.00881	24.6
111.08151	1.5
115.05534	1.0
121.02950	100.0
121.06594	1.2
122.03281	0.7
123.04497	0.7
131.05022	7.2
133.02928	1.4
133.06586	26.6
139.07637	5.3
143.05028	2.9
148.61122	0.7
152.99571	0.8
159.04503	3.6
161.06100	19.5
167.07120	1.8
189.05585	20.2
211.06155	2.7
233.04553	4.9
271.22748	1.5
333.09869	1.2
415.58899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
59.01389	2.7
59.91164	1.3
71.01361	1.2
72.46980	1.0
83.01371	5.4
84.02151	2.8
85.02953	1.9
92.11651	2.4
99.00850	1.3
99.04509	26.4
109.06593	7.3
111.00900	8.4
111.04497	1.5
111.08154	1.3
121.02950	100.0
129.01987	2.0
131.05005	5.3
133.02934	2.0
133.06604	17.2
139.07664	8.7
140.90767	1.3
143.40656	1.5
153.77072	1.4
159.04576	1.5
161.06087	13.4
167.07152	5.5
189.05588	14.6
211.06094	2.3
233.04512	2.4
333.09775	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
62.28370	5.5
63.28326	4.4
67.63555	4.2
68.04788	4.7
70.55191	4.7
73.40672	4.2
83.70493	5.3
84.22431	4.9
89.34525	4.4
99.04495	38.7
111.00889	8.5
121.02959	100.0
128.46053	6.0
131.05090	7.7
131.31641	4.8
132.16196	5.1
133.02835	5.0
133.06577	31.1
161.06088	19.0
189.05554	28.3
470.33850	6.0
497.71936	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	499.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	10.9
57.03462	23.5
59.01387	23.5
61.98833	2.3
62.23001	1.0
64.18255	1.0
65.82401	1.2
67.01857	1.6
71.01382	4.7
71.05009	2.7
72.99308	2.3
75.00855	1.9
79.34651	1.0
81.03452	22.3
83.00930	1.3
83.01393	30.7
84.02153	5.0
85.02959	84.0
85.80408	1.0
87.00893	1.4
89.09547	1.0
91.01881	9.8
95.01403	1.4
99.00883	1.6
99.04517	27.4
108.02182	20.2
109.02956	1.2
111.00881	59.2
115.07640	41.0
123.00820	1.8
123.04507	46.2
124.01600	2.3
125.02419	1.5
127.03998	30.4
129.01920	32.5
130.26048	1.1
133.75574	1.0
134.33235	1.2
140.23598	1.1
152.01166	30.3
167.03490	100.0
171.02969	12.7
183.10266	2.7
192.04283	1.8
206.83882	1.1
207.06624	2.4
215.01991	2.7
235.06168	11.7
245.10219	1.6
274.25732	1.1
287.11325	1.6
289.09225	1.8
323.04156	2.3
349.10916	1.2
499.18268	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	499.292
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
57.03452	1.9
59.01110	1.6
59.01390	35.9
71.01368	8.6
73.02948	6.7
84.95107	2.6
85.02945	7.8
89.02438	2.2
101.02429	7.6
113.09741	2.7
179.14372	1.7
251.67448	1.8
277.21710	6.6
279.23294	6.9
295.22815	68.4
439.27170	8.5
457.28119	20.5
499.29199	100.0
499.36642	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	499.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10036	0.5
57.03457	4.6
57.32379	0.5
61.98814	0.6
65.93945	0.5
71.00425	0.6
71.36164	0.6
73.56165	0.7
95.05025	0.7
97.06586	11.8
112.95779	0.7
120.41010	0.6
123.08144	7.6
125.09718	100.0
131.29985	0.7
167.45226	0.6
169.08676	1.3
180.69260	0.6
187.09763	37.1
243.12416	12.6
255.23318	66.6
261.13449	16.6
274.73859	0.8
499.36517	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
71.62441	0.3
72.08411	0.4
85.05606	0.4
90.97153	0.4
114.98887	0.7
132.98187	2.1
134.97061	0.9
152.91098	0.4
156.99956	3.3
157.03548	4.0
159.01469	4.2
174.99249	29.4
176.98132	1.9
201.02565	38.4
202.02731	0.6
207.29041	0.3
214.64664	0.3
217.00317	86.2
218.98160	0.4
276.98114	0.7
299.00958	1.6
320.14432	0.4
343.03699	3.0
359.01486	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01692	0.3
55.01886	5.3
57.03195	0.6
57.03453	13.5
59.01385	29.1
61.98830	0.7
67.01882	0.6
69.03452	2.0
71.01376	5.6
71.05013	2.6
72.99317	3.6
73.02931	1.1
75.00862	1.8
78.28288	0.4
81.03454	16.4
82.95384	0.6
83.01384	21.1
83.05017	0.9
83.67448	0.6
84.02170	3.0
84.89440	0.6
85.02946	56.4
87.00867	1.1
89.02441	0.8
91.92059	0.5
93.03455	2.4
95.01344	0.6
97.02966	1.9
99.00883	0.9
99.04512	22.4
101.02423	2.7
109.02984	0.6
111.00876	32.4
113.02453	0.8
117.03458	10.8
119.05016	100.0
121.02944	58.2
125.02428	2.5
127.04000	23.3
129.01930	26.9
131.05043	2.0
133.06558	3.4
145.02951	47.8
146.03305	0.5
147.03059	0.8
147.04533	1.0
154.99930	0.7
155.99846	0.5
159.04437	0.5
159.08122	2.2
161.06079	3.8
163.04005	69.8
164.04370	1.1
171.02997	11.9
173.00902	2.1
185.05963	0.5
187.04022	0.5
187.07649	5.7
189.03990	2.4
189.05640	5.3
203.07202	2.0
215.02005	3.3
231.06593	7.0
233.02904	0.6
251.05653	2.0
275.05536	0.5
293.06885	0.9
293.63223	0.5
319.04541	1.2
471.22348	0.7
501.23404	5.2
501.73856	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	501.1042
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
54.82616	0.1
57.03446	0.2
59.01368	0.5
60.30236	0.1
64.95718	0.1
66.47854	0.1
67.26671	0.1
67.34253	0.1
67.63712	0.1
71.01360	0.1
85.02919	0.1
91.01872	0.9
92.12359	0.3
99.04532	0.2
117.03459	0.2
129.89787	0.1
132.02156	0.6
133.02954	1.4
135.00888	1.1
135.99756	0.1
139.07619	0.1
140.72183	0.1
147.74367	0.1
153.01968	0.4
165.68738	0.1
169.06570	0.6
180.05794	0.6
181.06538	0.2
195.04556	0.2
196.05304	0.6
197.06142	1.1
208.05296	1.4
209.06110	2.0
211.03954	0.2
223.04004	0.7
224.02626	0.2
224.04791	2.6
225.05554	1.3
227.07088	0.2
236.04727	0.2
237.05566	0.8
252.04323	1.8
253.05070	100.0
254.05391	2.6
255.06520	0.2
267.06628	0.4
281.04562	0.2
295.06210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75600	0.1
57.03454	2.2
58.00604	0.1
59.01388	8.3
59.01689	0.3
61.98854	0.1
65.90915	0.1
71.01383	2.6
72.99265	0.2
73.02945	2.1
85.02948	1.0
89.02436	1.8
91.01889	2.7
92.12296	0.2
99.00871	3.5
99.04521	2.5
101.02424	1.7
113.02478	1.3
117.03455	18.5
119.03496	0.2
125.02428	1.8
130.08733	3.8
131.03477	0.2
131.09052	0.2
132.02182	0.9
133.02940	2.6
135.00880	4.5
143.03529	0.2
149.04558	1.1
153.01959	3.0
160.01669	1.3
161.04567	0.7
166.71085	0.2
167.03609	0.2
167.04999	0.2
169.06544	0.3
171.88043	0.2
180.05853	0.3
181.06599	0.2
191.05635	1.1
195.04547	0.3
196.05322	0.7
197.06102	1.9
208.05295	2.0
209.06111	2.7
211.04030	3.0
223.04056	1.7
224.04816	2.7
225.05600	2.1
251.03561	1.1
252.04320	9.4
253.05093	100.0
254.05434	3.3
277.95499	0.2
297.11780	0.2
317.03879	0.2
357.15579	0.7
399.16748	0.9
457.11710	1.7
457.17358	0.8
500.25110	1.0
501.19263	0.2
501.25931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53580	0.5
53.28585	0.6
58.53306	0.6
59.01378	2.7
64.70341	0.6
71.01381	0.7
84.95120	0.7
121.02903	1.2
123.04531	2.8
131.04994	1.0
131.73262	0.6
132.02170	1.0
133.02933	9.1
137.06090	0.8
145.02948	3.3
146.03735	7.4
147.04512	20.7
149.02460	1.4
157.02907	3.0
159.04457	1.2
161.02437	9.7
167.03494	0.8
173.02437	2.5
174.03267	5.0
175.03995	36.8
176.01131	3.8
177.01892	2.9
185.02475	1.6
187.04050	2.7
188.00294	0.8
189.01982	0.9
202.02655	1.0
203.03502	10.5
206.66396	0.7
215.03528	1.4
216.04431	0.8
221.09760	1.1
235.07660	0.7
250.06400	0.8
256.44733	0.7
256.85620	0.7
263.07092	3.6
265.08664	8.0
278.05591	0.8
281.08395	1.0
293.08252	2.7
295.06006	1.4
307.06055	1.7
309.07678	11.8
310.07452	0.8
318.25946	0.7
337.07214	40.1
349.07300	2.5
351.07129	1.3
367.08289	1.0
381.06052	2.7
457.11334	1.2
458.11526	0.7
501.10413	100.0
502.10623	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78176	0.4
55.01898	5.7
56.15613	0.4
57.03469	13.7
59.01117	0.7
59.01397	20.1
61.98830	1.2
66.79673	0.4
68.99821	0.5
69.03450	0.8
71.01395	4.3
71.05022	3.4
72.99298	2.7
73.02949	0.8
75.00866	1.0
76.28831	0.5
81.03461	16.1
83.01392	20.6
83.05033	0.8
84.02161	3.0
85.02956	51.1
87.00847	0.8
92.11790	1.2
93.03445	2.3
97.02928	0.6
99.00869	2.1
99.04520	17.3
101.02414	0.6
109.44457	0.6
111.00885	29.6
113.02451	0.9
117.03463	9.8
118.25096	0.5
119.05022	100.0
119.43870	0.6
121.02950	54.9
125.02474	0.8
127.04011	19.7
129.01942	25.2
130.96873	0.5
131.05058	0.6
133.06581	2.9
137.23048	0.6
145.02962	42.5
147.03056	1.0
147.04546	0.8
154.99922	0.8
159.04420	0.7
161.06081	2.6
163.04018	64.6
171.03003	11.1
172.50742	0.5
179.52841	0.5
187.07562	4.8
189.04041	2.2
189.05563	2.0
203.07181	2.2
215.02025	4.0
231.06631	5.7
251.05621	1.3
293.06540	0.8
319.04776	0.9
334.25357	0.7
425.15433	0.6
501.23355	2.7
501.73688	1.0
519.78333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55244	0.4
55.01889	5.0
57.03457	15.6
58.00594	1.1
59.01140	0.4
59.01378	4.0
59.05024	0.6
62.67268	0.4
69.03472	0.9
70.28290	0.5
71.01382	3.8
73.02953	1.1
80.74403	0.4
83.01388	96.5
85.02951	9.6
87.00855	1.9
87.04510	17.0
87.05013	0.8
88.04036	2.7
89.02428	1.1
96.96021	1.1
97.06599	0.5
99.00880	18.4
99.08610	0.4
101.02441	1.1
101.06043	0.8
111.00886	2.9
113.02478	1.7
115.04038	1.1
115.07701	1.1
116.92869	4.0
117.01961	0.5
118.39389	0.4
127.00367	24.7
134.10745	0.5
141.01942	12.4
145.05051	1.0
146.08327	0.6
146.20062	0.5
150.04222	2.2
159.02998	100.0
159.06609	2.8
179.05495	0.6
191.01990	2.6
218.10373	2.3
227.18900	0.4
258.75314	0.5
274.29169	0.5
341.10965	3.2
389.69269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01265	0.5
53.30643	0.5
53.86733	0.6
55.01897	1.0
57.03464	50.4
59.01394	100.0
61.98832	1.2
67.23144	0.6
71.01392	23.8
72.99319	0.7
73.02964	7.7
78.12555	0.5
81.03455	2.6
83.01383	3.6
85.02969	8.8
89.02448	20.1
94.12344	0.6
95.01356	1.5
99.00858	5.0
99.04525	46.8
100.53008	0.5
101.01774	0.8
101.02442	27.0
113.02447	11.3
119.03541	5.4
121.02941	3.1
125.02448	31.5
126.68159	0.6
131.03433	0.7
143.03490	3.6
144.87331	0.7
149.04604	1.1
161.04591	7.1
177.09169	3.1
179.05516	2.2
191.05502	0.9
195.10269	4.6
212.26451	0.7
253.05104	18.9
339.14413	2.6
357.15610	17.0
357.94049	0.7
399.16675	18.8
439.19855	1.2
457.20920	3.5
501.19962	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	503.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31641	0.4
59.01382	0.7
60.12262	0.4
80.01196	0.5
80.93723	0.4
84.97302	0.5
90.10668	0.5
91.01893	30.9
107.63660	0.5
119.05018	100.0
120.05310	0.6
135.00879	56.5
140.12396	0.4
148.01694	2.3
153.01935	41.9
211.98199	0.4
216.19759	0.5
255.06650	94.0
256.06946	1.8
268.03812	3.9
269.04520	0.9
292.51532	0.5
459.13022	20.1
461.10257	0.5
473.10748	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	503.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01139	0.2
59.01386	2.6
60.37235	0.1
63.02090	0.2
63.02398	2.2
65.00327	12.1
67.01887	0.2
67.18278	0.2
68.32382	0.2
68.99829	0.3
71.01376	0.7
73.02916	0.2
76.82448	0.1
77.88252	0.1
78.95918	0.2
81.03461	0.2
83.01386	7.3
85.02941	0.6
87.00868	0.3
92.12371	0.4
92.65067	0.1
93.03445	0.2
101.02465	0.3
107.01389	21.8
108.02169	0.2
108.99346	0.3
109.02910	0.3
110.00069	0.2
110.50957	0.1
111.00669	0.1
113.02483	0.2
121.02918	0.7
122.00124	0.2
125.02433	0.7
130.04280	0.2
133.02939	1.1
134.03809	0.2
135.00841	0.1
137.02431	0.8
140.25919	0.2
141.07082	0.8
143.05009	0.7
145.06596	3.5
146.08255	0.2
149.02411	1.0
149.99626	1.5
151.00371	48.2
152.00708	0.2
159.08162	0.2
159.98920	0.2
164.01172	0.7
165.01912	0.6
169.01424	1.0
169.06596	2.3
171.04503	3.4
172.05307	0.4
177.01933	10.7
183.08119	1.3
185.06107	1.4
185.07523	0.2
187.07619	1.4
187.74295	0.2
209.06047	0.3
211.07666	4.2
213.05592	9.4
223.07599	0.2
225.16257	0.2
227.07150	2.0
237.05585	0.6
240.04318	0.9
251.07268	0.3
253.05116	0.7
254.05862	1.9
255.06648	100.0
256.07010	1.4
269.08264	0.7
279.06647	0.7
297.07684	2.7
417.12079	1.7
459.13043	63.5
460.13419	0.8
467.32703	0.3
485.23886	0.2
485.73972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33073	0.6
51.49154	0.6
51.62669	0.7
57.03453	3.4
59.01117	1.2
59.01395	27.5
65.03967	4.8
67.01892	1.2
71.01384	5.2
71.04985	1.0
73.02947	1.8
76.57181	0.8
77.05632	0.7
80.02706	0.8
82.95432	1.4
83.01384	0.9
84.95127	0.8
85.02962	8.6
88.52983	0.7
89.02437	3.3
91.01877	4.8
91.05546	0.8
93.03459	1.4
95.01366	1.5
99.04488	0.9
101.02436	3.7
104.83136	0.9
108.02169	7.8
109.02953	100.0
113.02426	1.1
117.03458	1.1
117.05572	1.4
121.02949	10.5
123.00859	1.4
123.04570	1.4
129.01947	1.7
131.05042	1.0
135.00893	11.2
136.01653	4.9
137.02522	0.9
149.02446	5.4
151.04005	5.0
153.01944	6.8
163.00371	11.3
167.08694	1.1
177.01892	1.9
178.02814	1.8
179.10788	0.8
183.08170	1.0
187.02039	0.9
193.05037	1.3
197.11848	3.0
207.13861	1.1
209.06081	1.3
211.07669	16.8
223.07600	1.5
225.05550	4.7
226.06386	4.2
227.07153	36.5
237.05524	0.9
239.07169	3.8
241.08661	1.8
241.10860	1.6
247.47441	0.8
250.40872	0.8
251.07222	8.3
255.06630	56.0
255.15942	1.0
268.07452	13.4
268.13724	0.8
269.08194	36.1
284.03296	1.6
297.07697	22.9
325.80875	1.0
330.71335	0.7
419.86469	0.9
431.13507	3.7
459.12924	1.6
459.22577	10.1
503.20898	8.9
503.78726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	0.3
59.01388	6.3
65.00319	0.3
67.01892	0.3
71.01389	1.6
73.02950	0.8
75.73837	0.2
83.01371	0.2
85.02944	0.8
89.02432	0.3
91.01891	21.1
93.03441	1.5
101.02450	0.8
108.02188	1.0
109.02993	1.7
113.02445	1.0
117.03452	0.7
119.05021	96.0
120.05364	1.3
120.94032	0.2
121.02962	1.9
133.02925	0.2
135.00883	29.0
136.01559	0.4
145.02951	1.9
148.01682	2.6
149.02458	3.7
153.01941	25.1
153.57288	0.3
163.04025	2.5
169.06578	1.5
177.02019	0.3
180.00668	1.2
183.51476	0.2
211.07645	1.0
213.05624	3.2
219.10771	0.2
227.07043	0.3
251.07202	0.2
253.05219	0.3
254.05814	1.7
255.06653	100.0
256.07031	2.2
267.06558	0.4
268.07465	2.1
269.08167	0.4
279.06625	0.4
297.07721	9.9
399.23907	1.0
417.25027	1.3
459.12955	1.9
459.22574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.1
59.01384	50.9
65.03962	4.9
65.47801	1.0
67.01887	1.7
69.50699	0.8
71.01380	6.3
71.05025	1.0
73.02944	5.2
73.49632	0.8
82.95434	1.4
83.01398	1.2
84.66733	0.9
85.02951	8.6
87.00903	1.2
89.02399	2.3
91.01893	4.5
91.08324	1.0
92.12369	2.4
93.03415	1.1
95.01367	1.3
99.04519	1.5
101.02445	5.0
108.02173	6.5
109.02946	100.0
113.02448	2.2
117.05487	1.0
121.02940	11.6
123.00874	1.8
123.04467	2.3
129.01974	1.6
133.02917	1.8
135.00853	8.1
136.01625	2.5
137.02458	1.2
143.75230	1.0
147.02968	1.4
149.02429	5.4
151.03990	5.0
151.05127	1.1
153.02000	7.2
163.00360	11.2
167.08682	1.8
177.01945	1.9
178.02769	1.9
183.08118	1.9
193.06529	1.2
197.11905	1.3
207.13921	2.3
209.06133	1.2
211.07695	18.6
219.08749	1.2
225.05592	1.9
226.06317	4.1
227.07149	34.7
237.05710	3.7
239.07095	4.9
241.08723	4.2
251.07185	7.7
255.06648	56.3
268.07404	10.7
269.08237	30.5
270.89911	1.1
279.10806	1.6
297.07721	21.1
431.13306	1.6
459.13022	3.3
459.22495	28.4
503.20694	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	503.1625
Annotation	Raffinose
Peak:m/z	Relative Intensity
57.03455	22.0
58.02979	1.8
59.01387	13.4
71.01382	3.1
71.05016	3.0
74.02462	0.7
80.42892	0.4
84.04553	0.8
84.71292	0.3
85.02954	1.3
87.00850	0.4
88.04054	2.3
89.02445	3.6
92.11730	0.4
97.02989	0.4
99.04515	47.4
101.02438	32.1
102.05592	0.3
113.02431	0.6
115.04011	0.8
116.07178	0.5
117.05576	1.9
118.05148	0.4
126.53767	0.3
128.03519	3.7
129.01881	0.4
129.03908	0.5
130.05103	0.5
131.03474	0.6
143.03506	13.2
146.04576	0.6
147.03017	0.8
147.06630	2.3
160.06161	9.5
161.04558	100.0
179.05614	1.5
183.25058	0.3
212.26746	0.4
221.06738	1.2
283.23184	0.3
341.10791	1.3
503.16220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33310	0.2
57.03455	2.8
57.19555	0.2
58.20049	0.2
59.01385	2.4
71.01389	2.7
71.05022	7.9
85.02956	1.2
87.04511	3.8
88.04025	0.3
89.02422	0.5
98.37279	0.2
99.04513	26.0
101.02437	4.1
109.64618	0.2
115.04008	11.0
115.07653	2.5
116.29251	0.2
117.05574	13.6
128.03525	0.3
128.39240	0.2
129.01921	0.6
143.03476	2.1
147.06670	0.6
160.06177	1.6
161.04585	11.4
161.08192	100.0
179.58937	0.3
359.89325	0.3
491.75491	0.3
503.17255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77140	0.8
59.01380	1.6
72.08595	0.8
92.68941	0.8
107.05018	25.0
116.92836	0.9
147.08183	1.0
163.11282	100.0
205.10574	0.9
283.17023	23.2
285.74069	1.0
295.17078	13.6
412.24557	1.0
437.09476	0.9
441.28055	63.4
451.33130	1.1
459.29037	22.2
503.31775	56.7
504.32257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.6
59.01117	0.9
59.01389	19.8
61.98861	0.8
66.23701	0.6
71.01385	13.9
71.05019	12.6
75.00872	0.7
76.06916	0.7
76.57993	0.6
83.01356	0.9
85.02950	1.1
87.00893	1.2
87.04507	3.4
88.04034	1.2
89.02442	10.0
90.49935	0.7
96.95991	5.9
99.04517	25.2
101.02432	5.0
101.06077	30.3
108.04544	8.4
113.02446	1.7
113.06099	6.9
115.03999	12.5
115.07632	10.5
117.05576	39.2
119.03484	1.4
121.02947	1.1
128.03540	1.1
129.05542	1.3
131.07140	1.7
132.03027	1.0
134.03743	1.1
136.04039	4.8
137.06142	1.0
141.05566	5.8
149.02448	1.8
150.03236	7.7
159.06610	7.1
161.08191	100.0
165.05557	4.9
171.06604	0.9
180.02960	1.2
189.07706	1.5
195.06654	0.9
203.09241	1.3
219.08757	1.0
233.10210	1.0
266.58826	0.9
419.07333	0.9
498.72171	0.8
504.17239	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66154	0.5
59.01380	2.8
64.34501	0.7
73.14253	0.6
74.65276	0.5
74.91196	0.6
77.93101	0.6
78.95904	27.0
89.02388	0.8
96.96973	0.9
101.86929	0.6
114.39710	0.7
135.51282	0.7
152.99619	7.1
154.01649	0.6
168.04320	3.1
178.91646	0.7
224.06978	6.6
245.07947	0.8
279.23309	100.0
504.31613	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	504.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64482	2.5
52.97018	3.0
63.84542	2.6
69.06781	2.8
72.99310	7.3
73.02926	5.2
75.00872	78.1
76.57644	3.5
86.28224	2.9
94.53790	2.9
120.79701	2.9
135.67842	3.5
186.81476	3.1
189.10167	3.7
297.78375	4.2
415.34348	100.0
498.33630	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84491	0.2
59.01377	0.5
59.70698	0.2
60.99313	17.0
71.01382	0.2
74.23848	0.2
85.02959	0.4
88.98803	100.0
89.02439	7.5
145.08749	1.2
167.92175	0.3
219.36349	0.2
272.60782	0.3
306.16742	0.2
529.79474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	8.1
57.03460	16.6
59.01390	32.0
65.83849	0.7
67.01897	3.5
71.01382	4.1
73.02965	1.5
77.61984	0.8
81.03457	3.8
83.00926	1.8
83.01403	40.9
83.81152	0.7
84.02169	1.3
85.02963	83.8
87.00846	1.0
91.01892	3.4
96.96011	0.9
99.04530	3.3
105.41883	0.8
108.02208	6.9
109.02969	1.2
111.00886	100.0
113.02469	1.2
121.02954	40.4
123.00917	6.6
123.04520	22.7
124.01657	4.4
125.02455	1.1
127.00384	1.1
127.04014	10.1
129.01944	29.4
131.04993	1.2
133.06592	3.9
135.04489	1.2
136.01640	1.5
151.03984	1.8
152.01160	9.2
154.99892	5.3
161.02448	1.2
161.06065	3.2
162.03250	0.9
163.04066	1.5
164.04768	1.1
166.02750	3.6
167.03497	38.6
171.03003	1.9
189.05550	7.8
192.04324	6.3
207.03030	1.7
207.06651	15.0
220.03836	1.1
235.06158	14.1
257.04529	1.5
261.04108	1.8
279.05096	5.2
281.08820	0.8
299.09317	3.5
301.07129	1.9
449.77716	0.9
461.24033	6.0
505.26718	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46681	0.8
54.82697	0.9
55.01868	5.5
56.31414	0.8
57.03192	1.0
57.03452	18.0
59.01381	15.3
62.33308	1.0
67.01878	2.5
69.03449	1.1
71.01373	6.0
72.99299	1.5
81.03081	0.9
81.03454	11.1
83.01379	18.9
84.02156	2.5
85.02946	100.0
91.01862	7.0
95.01363	1.4
99.04514	16.5
108.02160	14.3
109.02892	1.5
111.00869	34.8
121.02941	75.1
123.00831	5.9
123.04517	34.1
124.01640	2.2
125.02433	1.1
125.77313	1.0
127.04008	24.2
129.01932	27.1
131.04964	1.7
133.06566	7.3
136.01639	1.8
147.02997	1.9
151.38930	1.3
152.01106	11.8
161.06094	4.0
166.02629	4.3
167.03482	67.8
171.02969	11.2
174.03214	2.0
189.05569	8.5
189.27995	1.2
192.04269	6.7
207.06615	7.6
215.01962	4.4
235.06104	25.0
251.05602	1.7
297.06213	2.3
339.07120	2.0
505.19495	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	505.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01898	0.9
55.01899	11.4
56.64788	1.0
57.03458	17.5
59.01391	16.9
69.03455	1.1
71.01392	2.4
71.05022	4.3
72.82919	0.9
72.99309	2.3
81.03456	20.4
83.01398	29.7
84.02193	1.7
85.02956	66.6
91.01891	16.1
99.04508	21.8
108.02178	26.0
109.02977	2.6
111.00881	41.8
121.02947	57.7
123.00869	1.9
123.03643	2.2
123.04513	45.1
124.01675	1.8
127.04006	23.3
129.01930	28.3
133.06618	4.3
152.01147	36.7
161.06110	2.1
162.97736	1.1
166.02736	1.9
167.03493	100.0
171.03012	11.8
175.17839	1.1
189.05589	4.8
192.04355	1.9
207.06624	2.4
215.02068	2.5
233.02815	1.1
235.06119	11.6
238.14632	1.3
251.05641	2.6
304.25854	1.2
323.04239	1.2
406.57355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29589	0.5
51.63259	0.5
55.01889	7.8
57.03459	10.7
58.59818	0.5
59.01387	16.6
60.51126	0.6
61.27519	0.6
64.34347	0.8
65.00328	1.1
65.03944	0.7
67.01895	3.0
71.01364	1.4
71.05024	1.6
72.99303	2.8
73.02963	0.7
75.00868	0.6
78.41647	0.5
81.03455	12.3
83.01391	22.2
84.02169	3.7
85.02950	28.4
91.01894	12.2
93.03454	2.8
93.75545	0.6
95.01384	1.4
97.02965	0.9
99.04520	19.1
101.02440	1.0
108.02181	13.0
109.02955	17.6
111.00881	37.9
111.01661	1.4
115.05529	0.9
119.05054	0.9
121.02953	79.2
123.00862	0.8
123.04518	43.0
124.01641	0.9
127.00343	0.8
127.04023	15.3
129.01949	17.2
131.05023	4.1
133.03004	0.9
133.06596	14.4
135.00905	3.0
135.04538	0.8
137.02451	6.2
147.04570	4.6
148.01691	9.4
152.01146	20.5
153.02014	2.0
154.99840	0.8
159.04520	2.6
161.06058	12.8
165.01938	16.4
167.03502	100.0
171.03012	9.4
189.05600	10.4
195.51898	0.6
211.07703	5.6
215.02029	4.5
233.04526	1.3
235.06082	1.4
239.07170	6.8
251.05756	2.4
257.04562	0.8
257.05447	1.1
257.08215	18.9
293.06653	1.1
295.04608	0.8
299.09415	0.9
383.38202	0.7
461.14746	11.0
505.26538	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	505.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.5
57.03461	11.6
59.01112	1.4
59.01389	31.1
60.21695	0.8
64.34080	0.8
67.01896	1.0
69.51854	0.8
71.01385	8.7
72.99331	0.8
73.02925	4.3
76.57069	1.0
79.05534	1.0
81.03464	8.1
81.03860	1.0
83.01387	20.9
85.02947	46.6
89.02384	1.6
91.01885	5.7
91.05529	1.2
93.03445	4.4
93.94618	1.0
95.01385	2.4
99.04514	7.7
101.02424	4.2
106.06666	1.1
108.02158	8.4
109.02952	9.6
111.00142	1.9
111.00883	37.5
113.02444	1.3
117.03426	1.7
119.05030	4.4
120.32629	0.8
121.02952	39.1
122.03709	5.1
123.00851	4.1
123.04516	43.6
124.01660	1.2
127.04015	10.9
127.32734	1.0
128.06444	0.9
129.01917	17.1
133.06622	1.2
134.03764	3.2
135.04520	29.3
136.01639	1.6
136.05307	8.0
137.02440	1.5
145.54736	1.1
146.08223	3.8
147.04507	2.2
148.01686	9.7
149.02449	4.3
149.60515	1.0
150.03244	9.1
151.00427	1.2
151.04004	25.3
152.01134	15.0
154.99832	1.2
161.02446	21.9
161.06056	2.0
162.03214	53.6
163.04013	26.9
164.04813	4.4
165.01973	2.1
165.05553	1.8
166.02679	3.5
167.03496	41.4
168.03944	1.4
171.02994	4.0
173.02440	1.5
174.03197	2.1
175.03935	1.5
176.04742	1.1
179.03516	2.2
179.63623	1.1
181.04988	2.0
181.10178	1.2
189.01944	15.6
189.05577	6.2
190.02719	63.5
190.04442	2.1
191.03384	1.2
192.04271	6.4
193.10158	1.2
202.02744	4.0
207.03139	1.1
207.06580	4.1
209.04439	1.8
211.07607	1.6
220.03784	32.2
223.07732	1.0
225.09219	6.9
227.10797	5.1
235.06078	9.6
237.05585	1.6
239.16583	1.5
250.35829	1.0
253.08728	6.4
255.03049	1.2
255.10284	3.8
256.03705	2.0
257.04559	14.9
257.07300	1.1
257.08313	1.4
265.08737	4.0
267.10284	2.2
277.12241	1.9
279.04919	1.0
281.08197	20.9
283.09747	4.7
299.09250	100.0
301.07288	2.3
311.09299	7.1
329.10318	41.4
341.10464	1.1
355.12112	1.2
365.10254	1.5
383.11581	3.9
419.13394	4.3
419.22668	1.4
443.14526	1.1
461.14963	3.8
461.23782	9.7
463.25412	1.8
505.15610	1.1
505.26779	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	505.136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98331	0.5
55.01877	3.1
57.03240	0.4
57.03458	5.4
59.01387	12.1
62.81593	0.6
65.03938	0.5
67.01884	0.7
68.60419	0.5
69.86686	0.5
70.72237	0.5
71.01362	3.2
72.99277	0.7
73.02924	1.1
75.00864	0.5
79.05515	3.5
81.03449	4.3
83.01379	9.0
83.44153	0.5
84.02175	0.7
85.02949	27.0
91.01894	4.1
93.03455	7.3
95.01359	2.4
99.04507	6.1
101.02435	0.8
105.03442	7.0
107.05035	2.8
108.02173	5.6
109.02937	2.7
111.00890	16.3
113.02496	0.5
118.73289	0.5
119.05009	3.0
121.02953	30.2
121.06571	7.3
123.00896	1.3
123.04514	34.8
124.01661	0.8
127.04008	9.1
129.01935	6.6
131.04999	2.3
133.02939	1.0
133.06587	6.7
135.04512	3.6
143.05066	0.9
147.03073	0.6
147.04526	3.3
149.02448	6.4
149.06064	1.3
149.64835	0.7
151.04012	18.2
152.01158	6.0
154.99889	0.6
159.04591	0.9
161.02403	0.6
161.06087	7.1
163.04022	11.8
164.04669	0.7
165.05566	70.2
166.02669	0.7
167.03490	38.3
168.03847	0.7
171.03024	3.3
175.03990	3.3
177.05573	19.5
187.03947	1.0
189.05556	5.0
191.03508	1.0
192.04204	0.9
193.05066	100.0
203.03578	0.7
205.05075	21.7
207.06769	1.3
221.04585	0.6
221.56407	0.6
223.06133	18.4
227.03479	3.1
229.04993	2.6
235.06143	4.9
251.05486	2.5
255.02969	0.9
256.03824	0.8
257.02090	0.9
257.04565	14.6
259.06143	0.9
269.04617	0.8
269.08276	1.0
279.02240	0.6
293.06680	0.7
299.09259	85.7
300.09561	0.8
301.07324	0.9
311.09155	2.3
329.10370	25.2
341.10309	1.0
383.11279	2.5
461.15109	4.9
461.24020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	2.4
62.38889	0.3
65.03980	5.7
65.71717	0.2
67.01898	1.7
68.26920	0.3
71.01395	0.4
73.02941	0.5
75.02396	0.3
80.02679	0.3
80.97611	0.3
81.03485	0.4
82.95426	14.1
83.01416	0.4
85.02953	1.3
85.18299	0.3
91.01899	1.7
91.05530	1.2
93.03453	3.1
95.01403	0.6
95.04968	0.4
107.01396	2.9
107.05041	0.4
108.02190	4.4
109.02954	100.0
110.03277	0.5
111.00898	1.1
117.03458	2.1
119.05023	5.4
120.02029	0.3
121.02959	8.9
122.03737	1.3
123.00883	1.8
123.04536	2.8
125.02431	0.3
130.04251	0.3
131.05006	0.5
133.02933	1.1
135.00858	2.7
135.04555	1.7
136.01662	7.4
137.02440	14.4
147.04523	21.7
148.01677	17.0
149.02446	2.2
150.03169	0.5
151.03996	4.1
153.01917	1.7
161.02437	1.8
163.00494	0.3
163.04033	0.4
165.01933	39.0
166.02650	1.5
167.03488	1.2
167.06772	0.3
167.08672	2.2
167.91051	0.3
169.06590	0.5
174.77946	0.3
175.04005	0.3
179.03508	5.1
187.07579	0.4
190.02722	3.7
195.08167	2.4
203.03551	0.3
207.02983	0.6
208.03777	7.5
211.07645	9.5
213.09248	1.8
223.07565	0.5
225.09071	0.4
235.07639	1.8
237.05516	0.5
238.06322	0.7
239.07158	12.1
241.08759	2.5
252.07979	3.3
253.08693	8.0
253.86012	0.3
257.08212	78.5
258.08524	1.3
263.07175	0.6
269.08279	2.3
270.62415	0.3
271.09756	1.6
281.08182	7.0
299.09259	28.8
300.09464	0.5
311.09290	0.3
311.55576	0.3
323.09232	1.3
341.10300	0.6
370.09106	0.6
435.63260	0.3
443.13129	0.4
461.14600	19.4
505.26624	1.3
511.48221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74726	0.8
56.93237	0.5
57.03448	1.1
59.01395	2.5
65.03978	5.5
67.01904	1.3
69.03454	0.9
75.31020	0.6
81.37684	0.7
85.02931	1.1
91.01872	3.8
91.05562	0.8
91.22360	0.7
93.03455	7.8
97.78706	0.6
98.95735	0.7
105.14955	0.8
107.01382	1.4
108.02172	4.0
109.02950	100.0
110.03291	0.7
111.00922	0.8
111.04530	0.9
117.03462	4.1
119.05022	9.1
121.02950	15.6
122.03712	4.0
123.00797	0.7
123.04524	2.4
133.76352	0.7
135.00833	9.7
136.01669	5.2
137.01379	1.3
137.02440	37.8
147.04520	25.4
148.01671	49.2
152.01187	1.1
153.01949	5.2
161.02495	1.0
163.00383	1.3
165.01926	97.3
166.02545	3.1
167.03485	2.9
167.08676	8.1
169.06628	1.4
179.03513	0.9
195.08128	2.8
197.06068	0.8
211.07661	26.9
213.09280	3.5
227.03557	1.6
238.06155	0.8
239.07156	32.8
252.07857	0.8
253.08572	1.1
255.03137	0.8
255.06648	0.9
256.03809	0.8
257.08206	95.2
258.08456	1.5
299.09250	7.0
335.76645	0.6
370.09152	4.4
428.27081	0.7
458.25052	0.8
461.14630	66.7
462.14981	3.0
467.89111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78382	0.1
55.01896	0.2
57.03450	0.9
59.01384	3.2
60.41604	0.1
63.87278	0.2
65.00365	0.1
65.46337	0.2
66.95924	1.2
69.22401	0.2
71.01376	1.1
72.99297	0.2
73.02941	0.2
81.03453	0.8
82.95418	100.0
83.01382	1.1
84.95119	0.2
85.02952	3.8
89.02438	0.3
91.01881	0.3
96.95998	0.8
99.04514	0.8
101.02435	0.4
108.02200	0.3
111.00877	2.1
113.02468	0.4
116.26910	0.2
121.02961	2.1
123.00879	0.2
123.04539	1.7
127.04018	0.9
129.01956	0.7
150.03313	0.2
151.04039	0.2
152.01187	0.9
163.00359	0.3
165.01833	0.2
166.01070	0.2
167.03500	2.8
189.05571	0.2
198.39232	0.2
211.46465	0.2
235.06180	0.4
245.65747	0.2
249.26718	0.2
252.35625	0.2
257.04550	0.4
301.07101	0.2
407.53873	0.2
461.24374	0.4
481.16693	0.2
505.22021	0.5
505.27853	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	14.4
60.99314	16.6
71.01371	4.7
71.39250	1.0
73.02943	4.4
74.59431	1.1
76.57397	1.1
80.16237	1.1
83.01383	4.4
85.02946	6.1
88.98805	100.0
89.02449	6.2
93.03457	5.5
97.32401	1.2
99.04503	1.9
113.02450	1.3
116.40352	1.0
116.95420	1.2
121.02989	2.1
123.04491	1.0
133.06570	2.7
135.00893	2.3
144.94626	1.3
153.01944	2.7
163.00404	4.9
167.03525	5.3
195.17676	1.6
257.04550	2.3
268.03867	4.2
283.06204	2.1
415.19772	2.0
461.23947	5.2
492.05548	1.3
505.27255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03455	1.3
58.00584	0.6
59.01388	100.0
60.71544	0.4
60.94044	0.5
67.49653	0.5
69.03451	0.5
71.01383	21.0
72.99299	2.3
73.02947	27.3
73.85353	0.5
76.00237	0.5
78.28951	0.5
83.01392	7.3
85.02946	6.3
87.00879	4.1
89.02452	7.0
91.01876	0.8
91.04038	0.5
92.11691	0.7
93.03440	1.1
95.01352	0.7
95.34827	0.5
100.91206	0.5
101.02434	20.5
108.02183	0.5
109.02930	0.5
111.00869	1.2
113.02432	5.7
119.03495	3.2
121.02936	2.5
123.04488	2.2
125.02419	0.7
127.03963	0.9
131.03424	0.6
135.00890	2.1
153.01942	2.5
161.04547	2.5
163.00374	2.1
167.03481	3.2
177.16484	9.0
179.14464	4.0
195.17448	0.9
239.16580	10.1
257.04562	2.8
401.21594	0.8
419.22864	6.0
443.23026	0.9
461.23987	87.8
505.26242	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	505.2578
Annotation	Amoritin
Peak:m/z	Relative Intensity
55.70228	0.4
59.01384	4.9
61.98830	0.8
62.54250	0.4
67.01974	0.5
71.01381	0.7
73.02965	0.5
78.95900	33.1
85.02942	0.9
89.46149	0.5
92.12346	1.8
96.96928	4.3
96.99319	0.9
100.01117	0.5
142.14709	0.5
150.98030	0.9
152.99593	48.4
171.00668	2.2
227.03311	4.6
233.22806	0.7
245.04373	0.9
255.87996	0.5
259.20761	0.9
263.78165	0.4
266.62701	0.6
277.21741	100.0
278.22095	0.7
280.50385	0.5
411.71356	0.6
504.74887	2.4
505.25760	71.0
506.25858	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3028
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
50.57004	0.6
57.03450	1.3
59.01120	0.5
59.01390	15.2
64.26691	0.6
67.01864	0.6
68.99812	1.2
69.03468	0.8
71.01384	13.5
72.99303	3.7
73.02919	0.7
75.00872	14.6
78.95913	0.8
85.02949	17.7
87.00893	5.7
87.01364	0.8
87.39725	0.6
89.02431	4.2
95.01408	4.3
99.00874	8.2
103.00352	1.0
113.02454	14.7
116.92825	0.7
117.01913	1.1
129.01923	0.8
175.02498	2.6
249.06190	10.7
255.23323	100.0
256.23636	1.5
258.65656	0.7
304.90881	0.8
313.25024	0.8
371.56235	0.8
423.25385	1.0
487.29547	1.1
504.75119	1.4
505.30264	83.4
506.30713	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	506.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45647	0.8
55.01884	1.3
56.81839	0.7
57.03451	3.1
59.01392	16.0
65.17252	0.7
65.43011	0.7
66.56660	0.8
71.01381	5.8
72.99291	0.9
73.02927	1.3
80.02675	1.2
81.03461	0.9
83.01376	3.3
85.02943	12.2
85.04060	1.2
87.00833	1.3
89.02427	1.1
91.01872	3.2
99.04489	1.7
101.02433	4.3
106.06623	39.2
108.02169	47.6
109.02985	1.1
111.00867	3.8
112.01186	0.8
113.76533	0.8
121.02942	7.7
122.03263	1.3
123.04505	24.8
124.04839	1.4
127.03965	1.2
128.03510	5.1
129.01918	3.2
132.50465	0.8
135.04507	2.0
136.05247	0.9
144.83452	0.8
146.04611	1.6
148.01602	1.0
150.05602	28.2
151.03986	1.8
152.01155	100.0
153.01741	1.0
154.91479	0.8
160.50066	0.8
162.03229	3.4
165.88245	0.9
167.03490	93.8
168.03848	3.6
189.01912	1.2
190.02606	3.7
191.03052	1.7
194.04576	4.0
220.03745	1.1
239.16415	1.1
257.04663	1.1
258.04916	1.7
261.14893	0.9
281.08286	1.3
292.04050	0.9
299.06027	0.8
299.09241	5.1
300.09625	3.7
301.07095	1.1
304.26270	0.9
320.09235	1.0
329.10461	0.9
338.08932	11.6
437.13556	1.0
461.23651	1.3
462.24179	4.1
498.26083	0.9
505.26535	3.6
506.13077	19.2
506.20526	3.3
506.26978	3.9
508.93619	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81841	0.5
53.32281	0.6
54.82805	0.6
55.01899	0.8
57.03461	0.9
59.01390	48.0
61.98843	14.4
64.41823	0.7
65.74044	0.6
70.97466	0.7
71.01386	30.7
71.63705	0.6
72.00915	17.6
85.02951	4.6
87.04565	0.6
89.02441	44.9
95.01364	0.7
100.31741	0.6
101.02441	14.9
113.02451	12.2
119.03487	13.9
129.39430	0.9
131.03532	1.1
143.03532	2.9
147.04521	59.3
161.04553	3.3
164.07166	100.0
179.05606	14.2
308.21075	0.7
341.10892	80.8
357.52365	0.7
390.52026	0.7
443.19388	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	506.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72244	0.2
54.38796	0.2
55.01896	0.2
57.03465	0.3
59.01386	5.3
59.17376	0.2
61.98835	100.0
62.26406	0.2
67.96939	0.2
71.01375	2.8
71.59744	0.2
72.99318	0.3
73.02960	0.2
76.63203	0.2
83.01389	0.4
85.02960	1.3
87.00883	0.2
89.02448	2.5
92.12405	0.3
95.01392	0.2
96.96022	1.9
101.02439	3.2
113.02457	0.8
119.03528	0.5
132.53787	0.2
138.05632	0.3
163.04132	0.3
164.03513	0.3
258.05032	0.5
278.02612	0.2
417.02814	0.3
443.19281	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	506.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00596	0.3
55.01903	0.3
57.03432	0.2
58.78206	0.2
59.01386	4.7
61.98833	100.0
71.01376	2.7
73.02943	0.3
83.01411	0.3
85.02960	1.2
89.02422	2.4
93.02625	0.2
96.96011	0.7
101.02422	2.6
113.02495	1.6
113.93255	0.3
119.03518	0.6
186.90240	0.3
198.72679	0.3
269.63986	0.3
325.58383	0.3
369.33029	0.3
443.19260	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	507.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13293	0.2
51.19297	0.2
55.01882	2.2
57.03457	0.3
59.01389	3.2
69.74127	0.2
71.01382	2.3
72.99295	2.9
73.02955	0.2
73.19887	0.2
75.00864	56.5
85.02924	1.3
87.00881	2.0
89.02430	2.0
93.03438	0.6
99.00862	1.7
100.76832	0.3
101.02426	1.3
102.94439	0.3
105.01905	0.5
117.01929	0.5
119.03478	0.3
121.02924	1.0
129.01936	10.3
147.03003	3.1
163.06194	0.8
164.06473	0.5
165.04033	100.0
166.04338	0.3
251.28482	0.3
381.11508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10381	0.6
52.93102	0.7
55.01887	6.1
57.03450	5.5
59.01386	100.0
67.81682	0.7
69.03450	2.0
71.01381	45.1
72.99304	1.7
73.02940	19.1
75.00848	1.0
78.95899	1.4
81.03461	1.3
83.01388	11.7
85.02947	27.4
85.05893	0.8
87.00852	1.6
89.02435	8.7
92.62450	0.9
95.01372	7.1
97.02938	1.3
99.00880	6.9
99.04491	3.5
101.02435	37.5
111.00868	1.1
113.02447	16.6
119.03490	1.4
123.00899	1.2
125.02438	8.2
129.01915	0.8
131.03502	8.1
136.40318	1.0
139.07715	1.1
143.03508	4.4
151.00383	5.1
159.02994	1.3
161.04596	5.4
203.05627	0.9
255.05179	0.9
256.71048	0.9
259.15454	4.0
299.40628	0.9
301.16589	3.7
403.19577	12.0
421.20874	51.1
434.15479	0.7
463.21585	8.6
507.27759	1.1
517.11847	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.0
56.11477	1.6
57.03452	9.7
59.01387	100.0
59.78346	1.8
69.25046	1.7
71.01380	59.8
73.02940	23.6
78.95921	2.6
81.50511	1.7
83.01408	12.9
84.95132	3.0
85.02956	28.1
87.00859	2.4
87.46703	1.9
88.63105	1.9
89.02433	13.1
99.00865	12.8
101.02435	33.3
111.00826	2.1
113.02438	24.3
113.03538	6.2
125.02563	1.8
137.03354	1.9
161.04581	12.4
181.91510	1.8
201.14995	2.0
225.48471	1.9
270.63580	2.2
289.16531	14.6
363.20291	10.6
421.20911	28.3
447.22083	2.5
463.21716	62.0
507.28006	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	507.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03453	1.3
58.00608	2.2
59.01385	100.0
71.01379	38.1
72.99315	2.7
73.02534	1.0
73.02943	28.8
75.00881	0.5
81.81014	0.4
83.01392	4.4
85.02947	9.7
87.00883	0.9
89.02438	38.0
95.01393	2.9
99.00874	58.8
101.02437	20.3
101.03068	0.9
111.00946	0.7
113.02437	18.3
119.03477	7.7
125.02478	3.5
127.51517	0.5
130.30310	0.5
131.03479	7.4
143.03537	2.7
149.04553	12.2
149.05644	0.7
155.03551	0.9
161.04556	6.1
172.56754	0.5
179.05594	0.9
191.05620	18.9
191.07201	0.9
203.05592	6.6
233.06686	1.9
317.51990	0.5
421.20786	13.2
453.54294	0.7
463.21811	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12924	1.3
55.01910	1.6
57.03456	2.3
59.01389	100.0
70.70775	1.2
71.01383	18.2
71.15338	1.3
72.99316	1.3
73.02951	9.0
74.76667	1.1
82.95428	1.8
83.01380	3.2
84.95103	1.7
85.02951	14.4
87.00877	6.1
89.02438	2.9
95.01347	1.6
99.00901	2.9
101.02448	16.3
113.02467	9.5
115.07194	1.5
116.70852	1.5
121.02937	1.6
129.01907	1.9
161.04533	2.8
198.05653	1.3
241.18085	1.3
289.16693	2.6
363.20416	2.6
403.19678	14.7
421.20770	21.7
463.25510	6.9
465.26923	2.0
470.24792	1.6
507.20950	1.8
507.28192	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	507.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	5.7
58.00567	0.7
58.23039	0.6
59.01388	40.3
61.98816	0.6
70.80925	0.6
71.01383	17.1
72.99313	1.0
73.02946	5.1
73.47869	0.7
74.02468	1.1
79.05535	0.8
79.98132	0.6
83.01383	1.6
85.02949	5.7
87.00861	4.0
88.39024	0.7
89.02441	14.6
96.82275	0.6
99.04482	1.3
101.02437	13.3
113.02435	7.6
113.20850	0.7
116.04990	0.9
119.03475	5.2
119.08635	3.8
120.05776	0.7
121.05090	8.6
123.79362	0.6
133.10228	1.1
135.08165	3.7
137.09714	22.2
147.40508	0.6
153.09230	1.5
158.40736	0.6
159.49472	0.6
161.04535	3.0
161.09698	2.9
163.07639	8.7
167.03476	1.1
179.05634	1.1
179.10745	6.4
181.08704	9.9
197.11871	3.2
201.76785	0.7
223.09767	3.7
223.11772	0.9
241.10812	1.2
245.09351	2.8
283.10355	5.9
363.16803	2.5
428.76932	0.8
447.00235	0.7
489.20084	1.5
494.37900	0.7
507.20895	100.0
508.20633	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80621	0.3
54.82981	0.3
58.64087	0.3
59.01386	0.4
61.71816	0.3
62.20915	0.3
63.84968	0.3
66.90298	0.3
74.34263	0.3
78.95901	21.8
96.96956	1.9
123.08839	0.4
136.33560	0.4
150.98021	0.4
152.99588	33.7
171.00655	1.8
177.90422	0.4
227.03265	3.5
245.04367	0.6
261.22507	0.5
270.91171	0.4
279.23306	100.0
280.23621	0.7
415.22693	0.5
507.27325	57.1
508.27621	0.8
517.65240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
61.98822	9.7
66.52369	1.4
76.58640	2.0
78.95893	10.9
78.96313	1.4
99.00884	2.3
99.92585	64.8
100.93362	2.4
115.92068	44.1
116.92858	100.0
131.44626	1.8
184.95479	1.7
255.23506	2.0
446.20178	6.4
460.17908	3.3
490.19003	11.5
508.20126	43.2
508.33795	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	508.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	1.8
59.01385	37.3
61.98831	2.1
70.65812	1.1
71.01374	8.5
77.59196	1.1
77.59669	1.2
78.95900	11.8
85.02940	2.2
89.02435	2.4
94.06597	1.8
99.00858	5.0
101.02438	2.3
106.06647	1.9
108.04536	7.0
108.08176	1.3
113.02447	1.4
119.43266	1.1
124.07662	6.5
134.06082	14.2
136.07622	8.6
136.62180	1.3
144.04562	1.3
146.06097	5.3
148.07649	1.9
152.07164	7.3
159.06876	1.8
160.03960	1.2
161.04793	2.1
162.05598	1.8
174.05595	7.9
176.85474	1.4
180.06664	26.8
187.06461	1.7
188.07182	10.7
210.07893	2.1
213.56516	1.2
215.11938	5.4
217.13411	6.5
217.76422	1.2
223.08760	9.0
224.09619	5.1
237.10329	7.8
238.07457	8.9
239.11917	18.0
240.12756	1.8
241.13568	2.8
249.10266	1.5
251.08286	9.3
251.11967	5.7
252.09184	1.6
253.09869	1.2
261.10123	1.4
263.11768	1.4
264.09048	4.6
265.09827	20.4
266.10590	5.6
267.11334	10.2
277.09808	1.6
278.10281	1.8
279.07718	8.1
279.11359	12.5
280.12192	5.4
289.09787	2.1
290.10583	2.4
291.11404	6.2
292.08530	6.1
293.09351	23.8
298.09586	5.3
306.10092	1.8
307.10922	25.3
308.11685	41.8
311.13663	1.7
340.10651	34.7
342.07401	1.4
351.10040	1.7
352.10669	2.3
390.18198	2.2
432.19305	100.0
435.96588	1.5
464.26144	2.6
476.18338	71.4
508.20865	28.0
508.27295	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	509.086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47577	0.5
59.01368	2.3
63.02387	0.5
63.79890	0.4
92.80203	0.4
94.46239	0.6
97.87430	0.5
101.35146	0.6
107.01360	1.0
111.09937	0.5
123.04566	0.5
132.02168	0.6
133.02965	1.2
144.98941	0.5
157.02948	0.6
159.04582	0.8
179.59201	0.5
181.06593	2.3
197.06145	0.8
199.04059	0.8
201.05595	2.0
215.12700	0.6
224.04839	1.0
225.05481	1.2
239.03542	1.2
241.16116	0.9
259.16968	0.9
267.02966	1.1
268.03778	16.7
269.04565	100.0
270.04944	2.7
321.49377	0.5
329.14011	2.4
347.14987	7.1
449.62369	0.6
473.10873	8.2
509.20276	0.7
515.17657	0.6
528.63751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34197	0.4
55.01881	3.3
57.03453	21.5
57.54169	0.4
58.45139	0.4
59.01390	3.3
60.30269	0.6
65.75246	0.5
68.99827	0.6
70.75385	0.5
71.01377	2.3
71.22588	0.5
72.99302	0.7
75.00861	0.7
81.54278	0.5
82.95413	0.6
83.01382	5.5
84.02167	2.2
85.02947	100.0
86.16647	0.6
91.01878	5.2
99.91161	0.5
108.02161	6.3
109.02958	2.7
111.00878	12.0
112.11423	0.5
113.06083	36.6
123.00883	2.6
123.04513	22.9
123.05413	1.0
124.01672	1.1
127.05048	0.6
128.03477	1.5
129.01933	33.5
147.02985	7.9
152.01167	6.8
157.05061	33.0
157.64384	0.6
164.07236	0.6
164.43979	0.6
166.02773	0.7
167.03494	40.1
173.00894	8.3
181.05118	0.9
191.02017	7.7
192.04332	2.8
204.00175	0.6
207.06656	2.1
209.03117	1.2
235.06032	6.1
297.06183	7.7
341.05176	7.6
359.06250	7.5
422.54617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.9
57.03457	25.1
59.01387	5.6
64.34659	0.3
65.03972	0.6
67.01890	0.6
68.99825	0.5
71.01379	3.7
72.99294	1.4
73.02943	1.8
75.00887	0.5
83.01387	7.0
83.05023	1.7
84.02161	2.6
85.02949	100.0
87.00872	3.2
89.02441	0.4
91.01881	4.0
92.11765	0.5
93.03449	0.4
96.95988	0.4
99.04517	0.6
101.02432	2.2
108.02177	3.6
109.02951	1.6
111.00873	13.7
111.04493	0.5
113.02486	0.3
115.00381	0.5
116.92844	0.5
121.02966	2.3
121.06613	0.8
123.00903	0.7
123.04522	13.2
123.08150	5.1
124.01664	0.7
125.02451	0.3
129.01933	27.5
136.01668	0.4
137.02454	0.5
139.87883	0.3
147.02995	9.5
151.07608	0.5
152.01167	4.4
153.12914	0.6
165.02022	0.4
165.12860	0.4
166.02800	0.5
167.03493	25.6
167.07317	0.4
171.11787	5.8
173.00902	10.3
181.05133	0.5
189.12891	1.8
191.01968	5.4
192.04362	0.6
197.04695	0.5
197.11734	0.4
201.12897	2.1
203.06888	0.4
207.06708	1.8
207.13934	0.7
209.03075	1.5
219.13948	0.7
222.15639	0.4
227.12907	11.7
235.06126	5.1
237.15005	5.6
243.06580	0.5
269.04526	0.7
271.06265	0.4
281.13989	21.2
297.06207	7.1
341.05124	4.0
359.06216	5.1
404.99890	0.4
466.26019	0.3
509.09735	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.5
57.03458	30.8
57.51715	0.6
59.01373	4.1
65.64024	0.6
71.01372	1.3
72.99278	0.7
76.29826	0.7
78.63430	0.5
83.01384	3.5
84.02184	0.7
85.02950	100.0
87.00877	0.7
91.01885	6.9
101.02404	0.7
103.35245	0.6
104.04228	0.7
108.02157	7.6
109.02956	1.2
111.00896	12.2
123.00858	1.2
123.04514	23.5
129.01939	40.8
147.03000	8.0
152.01157	9.7
166.02698	0.8
167.03491	43.2
167.10254	0.7
171.39064	0.7
173.00949	7.1
181.05049	0.7
189.05420	0.6
191.02016	6.3
192.04282	0.8
207.06628	0.7
209.03003	2.5
235.06070	6.1
297.06134	8.3
341.05209	5.9
359.06287	7.3
363.58060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38030	0.3
54.82456	0.3
55.01897	0.4
57.03466	1.4
57.92694	0.3
58.00606	0.3
59.01388	11.8
71.01384	7.2
72.99296	0.4
73.02950	2.6
74.65456	0.3
77.57111	0.3
79.55353	0.3
81.58676	0.3
83.01377	0.5
83.05044	0.8
83.15914	0.3
85.02953	5.4
88.98814	0.8
89.02454	2.0
95.01372	0.5
97.02947	1.4
99.00893	0.4
99.04539	0.6
101.02454	4.9
108.02177	41.3
109.02953	0.4
113.02454	2.6
119.03526	0.5
121.02978	0.6
122.03737	1.8
122.52992	0.4
123.04525	18.4
125.02465	0.8
133.10249	0.8
134.39877	0.3
135.08173	1.5
141.05577	0.7
145.07906	0.3
149.09720	0.8
151.11429	0.4
152.01161	100.0
153.01671	0.3
153.09229	10.9
159.08134	0.8
161.04584	1.4
161.06104	1.8
167.03497	99.7
168.03873	0.4
175.07669	0.5
177.09236	5.9
179.07187	0.5
183.95154	0.4
193.08672	0.8
195.10243	0.6
197.08212	3.7
211.11188	0.5
214.09752	0.4
219.10162	0.4
221.08266	5.9
223.14925	2.6
237.12909	0.4
239.09160	3.5
241.15952	1.4
253.10811	1.3
255.10211	0.4
267.13876	0.4
269.04581	6.9
281.10321	3.3
290.42731	0.4
297.31610	0.4
322.14139	0.6
329.13812	1.4
341.12476	5.2
403.21051	0.5
449.27313	1.6
465.21823	0.6
509.16574	4.6
509.20023	6.3
510.88272	0.4
511.61310	0.4
531.23303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41333	0.5
54.82271	0.6
57.03458	49.5
57.39011	0.6
59.01386	28.6
71.01368	3.1
82.02971	3.0
89.02433	1.6
99.04509	27.7
101.02450	13.2
104.06380	0.7
122.03726	1.1
123.04516	3.7
125.02429	4.4
135.65025	0.6
139.69383	0.7
145.07724	92.9
148.89638	0.7
153.13576	0.7
161.04559	10.0
163.34721	0.7
164.34166	0.7
164.42128	0.6
170.07230	4.3
180.90016	0.7
188.08311	57.7
210.10321	1.2
214.09883	43.9
214.11948	1.4
226.09894	2.7
228.11432	1.6
238.09935	2.6
244.10963	3.9
248.41827	0.7
256.10968	24.2
268.10974	3.7
286.12012	1.4
304.13062	30.4
305.11554	1.4
322.14124	100.0
364.15256	3.6
365.14719	7.5
427.83932	0.7
449.15631	1.0
466.18637	5.4
467.80392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2037
Annotation	Hypochoeroside G
Peak:m/z	Relative Intensity
50.64765	0.9
55.01876	7.4
57.03457	9.1
58.00588	1.4
59.01393	86.1
71.01392	47.7
72.99303	2.4
73.02956	20.5
75.00848	1.3
83.01403	9.7
83.05022	4.2
85.02467	1.6
85.02957	35.0
87.00859	2.3
88.98785	4.6
89.02451	22.1
95.01363	2.7
95.04957	1.3
97.02932	1.8
99.00864	3.9
99.04520	4.0
101.02448	31.9
108.02185	38.8
111.00893	1.3
113.02438	17.8
113.76089	1.1
119.03473	5.0
121.02940	1.4
123.04508	20.1
125.02412	5.9
133.02875	1.4
135.08144	1.0
145.07707	6.1
149.09695	1.4
152.01155	100.0
153.09143	9.3
155.08746	1.2
159.03000	1.8
161.04517	10.8
161.06013	5.6
167.03503	91.2
168.00545	1.5
168.03868	1.1
173.09697	2.2
177.09171	5.4
184.08911	1.1
185.13303	2.1
188.08221	2.3
193.08655	1.3
197.08134	4.8
202.02663	4.3
211.11191	9.7
221.08176	6.1
221.13321	1.5
223.14981	23.8
237.12791	2.0
239.09206	4.5
239.14384	4.2
241.16019	16.9
255.10201	6.7
267.13947	5.6
268.03897	2.3
269.04572	53.3
270.04929	2.2
271.06094	1.5
281.10300	6.5
322.13992	5.1
329.13956	16.0
341.12411	6.5
347.24500	1.5
403.21359	2.2
421.22473	1.7
423.84503	1.3
449.27481	5.0
465.21326	9.9
509.20242	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
57.03197	0.8
57.03455	16.9
59.01385	36.8
64.34454	0.6
71.01385	13.8
72.99300	0.8
73.02946	7.3
75.00855	1.4
75.29351	0.6
81.03419	0.6
83.01373	4.2
85.02947	12.1
86.00098	1.1
87.00864	1.1
88.47711	0.5
89.02415	2.4
89.68175	0.5
95.01363	1.0
96.95996	0.9
99.00845	3.3
99.04496	3.1
101.02439	16.6
111.00853	0.7
113.02463	4.6
121.02907	0.7
123.04438	0.6
125.02440	0.7
128.47484	0.6
129.01907	1.2
129.56999	0.5
137.02438	1.0
139.11237	1.0
143.33241	0.7
144.70528	0.6
157.12338	7.1
161.04524	3.1
167.03569	0.7
185.11800	2.7
203.12901	13.3
206.91997	0.6
245.14009	1.2
309.88614	0.6
347.17050	10.9
365.18188	100.0
407.19260	43.0
407.24835	1.1
408.19913	0.8
423.75366	0.6
447.22354	9.6
509.22406	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13530	0.6
53.19634	0.5
55.01896	6.1
55.39495	0.5
57.03466	2.7
58.00599	1.0
59.01394	100.0
61.98849	0.6
69.03451	0.8
71.01389	45.1
72.99308	1.2
73.02950	29.1
75.00873	1.1
78.34463	0.6
78.95912	0.8
81.03484	0.6
83.01387	12.7
83.40204	0.6
85.02467	1.2
85.02956	28.1
85.03465	1.0
86.00109	0.8
87.00883	3.7
89.02447	11.1
95.01380	4.0
97.02943	1.1
99.00879	13.0
101.02437	45.8
105.85094	0.6
111.00848	0.8
112.01668	1.2
113.02440	22.1
119.03498	0.8
123.04539	0.9
125.02419	3.3
129.01889	0.7
131.03546	2.3
143.03465	2.6
159.02994	5.1
161.04546	16.7
167.03491	3.0
221.01140	0.7
223.15657	0.6
238.48709	0.7
273.17169	1.6
291.18155	31.3
333.19247	3.4
405.21396	3.2
423.22397	48.5
433.19037	1.9
465.23444	97.0
466.23822	1.5
477.18393	0.9
509.22037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28371	0.3
56.70998	0.3
61.98843	0.7
76.21704	0.3
78.95909	24.1
82.66729	0.3
96.96976	1.5
100.78793	0.4
120.33216	0.3
150.98027	0.5
152.99594	34.5
154.45802	0.4
171.00674	0.8
180.89975	0.7
196.89510	14.2
227.03279	2.6
281.24875	100.0
282.25098	2.2
333.54291	0.4
383.37402	0.4
417.24393	0.5
509.28873	51.3
510.29465	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	511.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53486	0.2
56.38920	0.2
59.01390	1.0
60.99322	16.4
70.51080	0.2
71.01374	0.2
76.24162	0.2
87.00886	0.5
88.00409	0.5
88.04051	0.6
88.98808	100.0
89.02446	17.5
100.04733	0.2
103.34864	0.2
124.34283	0.3
125.16540	0.2
131.85153	0.2
152.01175	0.2
167.03526	0.4
282.79065	0.2
317.78842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28268	0.6
55.01884	6.7
57.03457	5.0
57.78182	0.7
59.01389	49.8
61.98823	1.6
63.73960	0.6
68.50363	0.6
71.01384	56.1
72.99305	1.2
73.02947	20.6
83.01397	11.6
85.02950	32.6
87.00873	1.5
89.02445	11.5
95.01398	4.6
96.95973	0.9
97.02959	1.3
99.00876	8.4
101.02438	47.7
113.02451	25.2
119.03519	4.1
125.02445	1.7
129.01892	0.9
143.03482	1.3
146.06155	1.1
161.04555	15.0
179.05589	1.4
237.24483	0.8
253.74370	0.9
289.16617	15.1
323.09821	0.9
349.75952	0.8
377.83795	0.9
451.21936	100.0
452.22180	3.3
479.69415	0.8
511.21814	1.1
512.20538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3047
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
50.26641	0.6
59.01391	0.6
61.98820	0.9
77.00649	4.7
78.95911	23.5
96.96970	1.0
136.41017	0.6
152.99596	34.4
171.00610	1.0
174.98543	0.7
227.03152	2.4
264.71976	0.8
283.26437	100.0
284.26675	1.3
337.21774	5.4
437.59180	1.0
475.23450	1.3
511.30435	56.8
512.31323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3047
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
55.51967	0.4
78.95911	22.2
96.96962	2.2
106.98798	0.3
117.12962	0.4
134.75899	0.4
150.98123	0.5
152.99596	32.5
171.00655	0.7
176.77473	0.4
215.94598	0.4
227.03264	2.4
245.04404	0.8
283.26447	100.0
284.26791	1.5
341.77988	0.4
419.25690	0.5
459.54974	0.5
468.01346	0.4
511.30453	52.7
512.30792	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	511.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	49.6
61.98833	0.3
71.01405	0.3
80.05038	0.3
81.03463	4.4
83.05022	15.1
87.74377	0.2
107.06142	0.4
108.04543	0.3
113.02272	0.3
125.07191	1.5
143.08278	0.6
190.67023	0.3
207.15047	1.8
217.61765	0.3
224.17642	3.4
225.16119	10.0
242.18816	1.3
324.26593	1.0
333.22986	2.9
351.24097	1.4
367.26978	1.1
385.28030	0.5
409.31241	0.3
433.31891	6.9
440.68573	0.3
451.32950	100.0
452.33475	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	512.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92751	0.4
57.03459	8.8
59.01381	2.2
61.98836	10.2
63.57047	0.4
63.74960	0.6
65.00298	1.2
65.78546	0.6
65.90342	0.5
71.01376	1.1
72.18154	0.5
77.99955	0.6
81.03440	1.3
83.01394	5.3
85.02937	0.7
93.03433	1.3
99.02838	0.5
101.02444	0.6
107.01411	3.9
107.05032	0.8
109.02977	1.1
117.03475	2.5
121.02937	2.1
123.04469	0.8
125.02437	91.0
129.74770	0.5
131.04953	0.6
133.02948	1.2
136.48581	0.6
137.02362	0.9
139.03998	2.1
149.02463	7.3
151.00380	21.3
152.01108	4.9
153.01956	8.5
163.00414	0.8
165.01924	2.1
167.03471	1.2
172.05257	1.1
173.06027	4.7
176.01192	1.0
177.05606	2.4
178.99860	16.0
179.03456	4.2
181.06613	1.0
197.06108	2.7
199.04001	0.8
199.07672	0.6
201.05591	3.2
215.07150	5.7
225.05647	4.2
241.05110	2.8
243.06613	6.5
259.06131	70.6
268.03787	0.9
269.04562	62.7
283.05856	0.7
287.05646	31.7
304.49310	0.6
311.05566	0.9
352.71945	0.7
431.09842	2.7
449.10941	100.0
450.11090	2.2
505.35367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.6
57.03191	1.0
57.03456	18.7
59.01384	10.4
60.99306	0.8
61.77645	0.7
65.56742	0.5
67.01903	0.8
69.03450	0.9
70.21964	0.5
71.01377	3.2
71.04996	0.9
72.99297	1.1
81.03458	10.7
82.95417	0.7
83.01385	19.6
84.02158	3.8
85.02952	100.0
87.00896	0.8
89.00304	1.0
95.01366	0.6
96.95999	1.5
97.02954	1.2
99.04517	40.7
101.02496	0.7
109.02922	1.3
110.75086	0.7
111.00880	32.0
121.02947	21.0
123.00860	6.5
123.04535	1.4
125.02413	2.4
127.00370	2.4
127.04012	26.2
129.01944	22.6
129.05618	1.1
136.98836	0.9
137.02469	2.7
138.03235	6.7
139.00363	7.0
147.03061	0.7
152.01161	1.3
153.01973	0.9
153.05580	15.6
154.02673	0.7
154.99843	1.0
166.02730	1.1
166.99876	2.8
167.03546	4.1
167.07094	1.0
171.03012	6.3
179.03397	1.3
182.02191	7.6
189.01964	0.8
189.04085	0.9
191.03487	1.0
195.53212	0.7
196.03767	1.3
197.04572	30.7
207.02953	0.9
215.02040	4.4
222.05344	4.0
229.07121	0.8
237.07742	4.9
250.04863	0.7
265.07193	18.0
273.06168	2.8
305.32855	0.8
309.06250	1.3
481.18164	0.7
513.20447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27155	0.2
55.01871	1.3
59.01386	17.7
59.67694	0.3
67.01879	0.4
68.99805	2.1
69.03445	1.4
70.34095	0.3
71.01384	21.6
72.99306	3.5
73.02933	2.2
75.00456	0.5
75.00869	15.0
80.91657	0.3
81.03461	0.6
83.01364	1.5
83.05016	0.8
85.02947	20.2
87.00867	6.8
89.02433	5.8
91.03975	0.5
93.03425	1.3
95.01380	5.4
97.02940	0.8
99.00871	9.6
101.02409	1.5
103.00358	1.8
109.02903	0.5
109.06609	0.4
111.00892	0.6
111.04503	1.8
112.01671	0.4
113.02451	24.6
115.00365	2.2
115.04013	0.4
117.01922	2.6
119.08643	1.3
120.89809	0.3
121.02907	0.3
121.06575	0.4
125.06055	1.9
129.01932	2.5
135.08125	0.6
136.05316	2.1
137.09714	0.4
139.07672	0.7
148.05327	1.3
151.07664	2.2
152.08421	0.5
157.01492	0.4
159.11774	0.6
161.09749	0.4
163.07607	1.8
168.94345	0.3
171.08147	0.3
175.02493	1.7
185.09755	0.8
186.10500	0.5
189.09241	2.0
201.12889	9.3
203.10809	4.2
204.11566	15.7
205.07152	0.4
207.05228	0.6
219.13930	19.3
227.10727	0.6
230.09451	1.5
231.05222	2.7
245.11804	2.0
249.06163	24.6
263.12885	9.5
267.07236	19.9
414.54105	0.4
453.23553	0.6
513.19818	100.0
514.20300	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89101	0.6
55.01884	0.9
57.03460	79.3
58.00600	0.7
58.66280	0.7
59.01390	100.0
59.43575	0.7
60.01727	0.6
60.49792	0.5
61.98837	8.1
62.67643	0.5
69.03458	1.1
71.01382	28.9
71.13708	0.5
72.99312	1.5
73.02952	18.8
75.50765	0.6
81.03451	2.7
83.01394	6.7
83.05022	0.9
85.02951	9.6
87.00858	2.4
89.02440	15.6
95.01379	1.5
96.96008	0.8
99.04516	56.0
101.01767	1.3
101.02435	33.5
106.11895	0.7
111.04510	2.6
113.02448	12.5
114.09221	0.6
119.03508	6.2
121.06603	0.8
123.04514	2.9
125.02427	28.5
131.03563	0.7
137.09720	6.6
141.05653	0.7
143.03517	5.3
149.04562	1.3
161.04558	6.7
168.00706	0.9
179.05618	3.3
186.70271	0.7
203.05650	1.0
203.14442	3.1
275.65738	0.7
323.10068	0.9
331.19208	0.7
427.19885	1.5
469.20694	27.1
481.89343	0.6
513.15765	1.2
513.23273	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	513.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01909	0.8
57.03456	87.5
58.00587	1.0
59.01385	100.0
59.74679	0.7
60.22785	0.7
61.98832	20.0
69.03474	1.1
71.01382	29.1
72.99313	1.1
73.02947	16.3
81.03464	1.8
83.01380	5.4
85.02945	10.0
87.00845	1.7
89.02440	17.7
95.01367	1.5
96.95989	4.2
97.02956	1.8
99.00877	1.7
99.04510	63.9
101.02432	34.2
111.04475	2.7
113.02448	10.3
117.16199	0.8
119.03503	5.3
123.04519	3.8
125.02435	30.1
125.71667	0.8
131.03474	3.3
137.09764	5.7
143.03543	4.0
144.79126	0.7
149.04544	2.0
161.04535	8.5
168.00633	1.4
179.05579	3.3
191.05533	1.2
199.64301	0.8
203.05742	0.9
203.14456	3.5
247.13588	0.8
307.17719	0.9
320.19876	0.9
383.02740	0.9
426.46063	0.8
427.19479	1.1
451.21848	3.7
469.20764	21.1
513.15820	3.0
513.23358	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02262	0.6
55.01884	4.2
57.03453	4.0
58.00601	1.2
59.01389	76.3
63.65005	0.5
65.11813	0.6
69.03457	0.9
71.01385	44.4
72.99305	3.5
73.02947	23.4
75.00876	3.0
79.30622	0.6
81.03447	0.7
83.01391	16.5
85.02952	24.8
87.00887	3.4
88.89141	0.7
89.02441	18.2
95.01384	3.8
97.02970	2.8
99.00883	6.8
99.04510	0.7
101.02441	49.3
103.04037	3.9
111.00938	1.2
111.04543	1.3
113.02448	20.4
115.04013	1.2
119.03495	5.1
125.02473	4.9
125.18910	0.6
129.01990	0.9
131.03548	1.3
143.03511	3.2
145.05043	0.8
145.12405	0.8
149.02429	1.2
159.03069	1.5
161.04550	12.8
163.06152	5.0
168.52007	0.6
201.12849	1.2
203.14410	1.2
204.11481	1.3
205.07150	1.6
219.13957	3.3
223.06148	0.8
227.07234	0.8
229.07300	1.5
247.08084	1.1
249.06213	3.5
263.12875	1.3
267.07367	2.5
282.84821	0.7
307.10400	1.3
307.17682	39.3
427.19556	0.7
449.72018	0.7
453.23502	100.0
454.24094	1.3
469.20749	12.1
513.19623	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	514.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
59.01383	88.1
70.69976	1.1
71.01379	42.8
72.99313	1.4
73.02937	27.3
75.82788	1.0
78.13547	1.0
78.95926	1.0
79.92543	1.0
83.01377	10.5
83.05037	1.2
83.45114	1.0
85.02936	13.1
87.00864	24.0
89.02436	44.1
91.57397	1.0
95.01392	2.7
101.02432	39.3
101.62669	1.1
111.00841	2.5
111.04499	1.2
112.04026	6.2
113.02438	31.0
119.03475	11.5
126.05565	1.4
128.03474	1.5
128.07133	5.8
129.01910	1.4
130.08723	100.0
131.03465	2.1
131.08240	5.4
134.04715	1.4
143.03458	5.3
149.04588	4.4
154.05130	1.2
161.04552	9.2
172.06140	27.9
172.97723	1.1
173.00801	1.9
173.04512	2.0
173.08095	2.5
173.09329	2.3
179.05592	11.9
181.64549	1.1
221.06789	1.9
228.77016	1.1
280.53510	1.0
305.79114	1.3
315.77475	1.3
323.09839	19.0
334.47275	1.1
341.06888	2.3
341.10901	49.8
366.48331	1.5
383.07004	2.2
383.11975	63.8
503.92981	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98938	0.1
55.26729	0.1
55.53464	0.1
59.01378	1.4
61.98835	100.0
76.57725	0.1
80.47508	0.1
83.05052	0.2
85.02982	0.2
92.12376	0.3
97.57547	0.1
134.03735	0.2
167.03473	0.3
452.33444	0.3
453.33636	1.0
454.33499	0.4
514.20898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1202
Annotation	Formononetin 7-O-beta-D-glucoside-6'-O-malonate
Peak:m/z	Relative Intensity
54.82883	5.0
55.01872	3.5
57.03457	25.5
59.01393	33.4
71.01398	6.9
75.47112	3.3
83.01393	15.1
85.02954	100.0
86.69252	3.9
93.03466	56.7
99.04495	28.3
108.02180	3.6
109.02952	4.2
109.06584	8.8
111.00880	20.4
111.08146	5.5
113.02393	4.6
121.02950	76.5
129.01923	18.3
137.02449	57.2
139.07594	9.3
161.06131	3.9
167.07109	15.9
177.05579	7.8
205.05084	15.8
211.06194	7.8
226.18411	4.3
229.07019	4.7
485.23770	7.0
515.28717	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	515.12
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97520	2.8
54.82297	3.0
55.01883	15.4
57.03460	28.1
59.01387	21.0
59.14409	2.8
61.83519	2.9
61.98830	4.3
71.01383	5.8
73.02934	4.6
83.01390	14.8
83.63454	3.2
84.02164	4.3
85.02951	100.0
92.64732	3.3
93.03443	60.3
99.04519	27.5
101.02392	4.0
109.06583	8.3
111.00889	29.0
111.04494	3.7
121.02953	67.2
121.06618	3.9
124.55798	3.5
129.01955	20.7
135.96712	3.7
137.02458	50.8
139.07678	16.5
159.04555	5.0
167.07152	21.3
177.05588	5.2
189.05678	4.4
202.67120	3.1
202.71489	3.0
205.05087	15.2
229.07069	3.5
255.05144	3.6
272.91135	3.6
273.06406	3.4
275.08743	3.5
479.70422	3.5
485.24091	6.4
515.29517	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	515.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00840	1.8
55.01882	8.5
57.03440	12.1
59.01385	19.9
61.26474	1.7
67.01874	2.0
68.99561	3.2
71.01375	10.2
72.99292	2.5
75.00863	2.6
83.01373	20.6
84.02163	4.2
85.02478	2.4
85.02950	52.6
93.03451	97.8
94.03783	2.9
99.04502	45.3
101.02457	2.7
109.02907	4.0
109.06583	20.6
111.00887	33.3
111.04512	4.8
111.08173	2.4
112.98551	4.4
113.02455	3.0
117.62500	2.0
121.02950	57.8
121.06553	10.0
123.04469	3.0
128.98994	2.3
129.01929	15.9
133.06593	3.5
137.02440	100.0
138.02786	3.4
139.07620	18.4
148.05060	1.9
149.06070	2.2
161.06097	3.2
167.07143	14.8
173.00998	3.8
177.05554	3.6
205.05074	8.9
208.33965	2.2
211.06123	12.9
215.97704	2.1
283.92081	2.4
311.22202	4.1
355.17740	2.4
395.09705	2.7
470.20932	2.4
515.28833	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	515.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23248	0.3
61.98842	0.3
78.95911	0.3
83.02647	0.3
87.71576	0.3
98.36353	0.3
99.00893	0.4
99.92584	13.6
116.92856	100.0
117.39679	0.3
117.92873	1.4
230.01787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92563	0.2
55.64444	0.2
57.03482	0.4
58.02987	10.0
59.01389	7.6
70.34773	0.3
71.01390	5.4
72.99326	0.5
73.02954	2.4
76.57448	0.3
83.05054	1.5
83.06180	0.5
84.04575	0.6
84.38283	0.3
85.02960	2.9
86.06158	0.3
88.04058	3.2
89.02451	6.4
92.12387	0.3
93.03469	4.4
99.00891	1.3
99.04549	0.4
100.07657	2.2
101.02455	1.9
101.07269	0.6
111.00894	3.3
111.04520	3.4
112.07700	1.2
113.02460	1.7
113.07206	2.0
114.05624	2.4
119.03471	2.2
126.05563	0.5
127.07733	0.3
127.08778	1.8
128.03493	0.4
128.07182	6.0
129.01897	1.2
129.05559	1.1
129.07550	0.3
129.10339	4.4
130.05089	2.7
131.08260	80.2
137.02464	1.4
138.31197	0.3
143.03543	0.3
155.03476	1.5
155.08235	0.6
156.07733	1.4
172.06139	7.2
173.00932	2.8
173.04550	7.1
173.09282	100.0
173.10446	9.8
174.07715	8.1
179.05630	1.7
266.19556	0.3
283.68170	0.3
341.07071	0.5
341.10898	10.9
394.94077	0.4
453.67157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82327	0.5
78.95901	78.1
80.79649	0.5
96.96959	7.2
116.92823	0.8
129.76900	0.6
132.37169	0.5
134.55434	0.5
136.09938	0.5
150.98096	2.4
152.99591	100.0
171.00623	1.3
210.83275	0.7
279.23380	2.4
294.68085	0.6
410.86090	0.6
433.23633	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	515.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98835	7.5
67.86708	0.5
69.98475	0.4
78.95901	15.6
117.99277	0.4
122.00132	0.6
126.18354	0.5
127.08075	0.5
135.54997	0.5
140.01184	5.5
152.99611	2.0
196.03799	6.5
214.04906	0.5
232.63464	0.5
255.23306	100.0
278.42273	0.6
360.89932	0.6
449.18222	0.7
452.27850	44.2
489.18460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92997	0.5
57.99826	0.6
58.00172	0.6
59.01387	100.0
64.65370	0.6
78.95927	0.8
85.19579	0.6
92.11682	0.8
116.92844	1.0
152.99571	0.7
177.89240	0.7
197.19127	0.7
243.19652	2.4
257.01239	0.7
267.39487	0.8
279.23303	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77524	0.1
51.35789	0.1
59.01371	0.6
59.30044	0.1
59.98656	0.1
61.36971	0.1
62.94072	0.1
73.92561	0.1
77.93611	0.1
93.03436	0.4
117.03435	0.2
119.01353	0.2
142.46674	0.1
143.05005	0.1
145.06569	0.4
147.00882	0.2
157.06609	0.2
167.03722	0.1
167.05037	0.5
168.05869	0.1
169.06599	1.5
171.04474	0.6
173.06058	1.1
175.00253	0.1
176.01083	0.2
180.05815	0.1
181.06665	0.8
185.06070	1.3
195.04500	1.5
196.05266	0.6
197.06110	2.1
199.04082	0.4
208.05328	0.2
211.03961	0.2
212.04813	0.4
213.05603	3.1
217.05075	0.6
223.03996	0.8
224.04861	2.0
225.05597	2.1
239.03513	0.2
240.04306	3.9
241.05128	1.9
251.03615	0.1
252.04286	2.2
253.05086	3.2
268.03799	0.9
269.04587	100.0
270.04926	0.9
308.71198	0.1
390.30902	0.1
457.11426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17281	0.3
54.82612	0.3
57.03445	1.6
58.21007	0.3
59.01387	7.0
60.12616	0.3
61.98825	1.6
62.34738	0.3
65.10209	0.3
69.42188	0.3
71.01369	2.0
73.02930	0.5
78.09761	0.3
82.95404	0.4
83.01367	1.4
83.12226	0.3
85.02927	1.8
89.02459	0.6
94.98064	1.8
95.01315	0.3
101.02435	1.2
107.01385	0.4
111.00883	3.7
113.02451	0.6
134.03745	1.6
137.02431	0.3
141.07108	1.9
143.05064	3.0
150.03252	0.8
153.07121	0.7
157.06570	0.5
165.05576	1.3
169.06590	7.0
171.04547	4.4
173.06073	2.1
175.75383	0.3
181.06599	2.0
183.04512	2.1
185.06055	1.3
193.05083	1.3
195.04512	1.9
197.06053	5.0
198.03351	0.5
199.04015	1.2
207.04431	0.4
211.04005	12.7
213.05592	21.2
223.03891	0.6
224.04764	1.7
225.05637	3.4
227.03522	0.6
239.03510	6.2
240.04361	1.9
241.05066	11.9
252.04260	0.5
253.05077	4.8
268.03867	4.4
269.04572	100.0
270.04886	1.7
318.44290	0.4
323.05637	0.4
353.10410	1.7
372.15012	0.4
373.18634	0.7
415.19614	0.5
473.10956	8.2
473.23825	0.5
517.22919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10967	0.2
59.01389	23.7
76.95332	0.3
80.54182	0.2
82.36156	0.2
91.01908	1.2
106.63404	0.3
117.29566	0.2
132.02184	4.7
133.02966	0.5
135.00858	2.5
153.01944	0.9
154.49866	0.3
167.04910	0.3
168.47606	0.2
169.06558	0.3
180.05811	0.4
181.06412	0.2
195.04526	3.8
196.05254	0.5
208.05284	3.1
209.06087	1.5
223.04031	12.2
224.04822	5.4
225.05547	0.6
234.15869	0.3
237.05556	0.6
251.03511	6.6
252.04300	71.8
253.05081	100.0
254.05350	2.4
267.06686	0.5
268.07797	0.3
281.04602	0.3
295.06186	1.7
373.10709	0.3
416.82990	0.3
457.11478	42.5
458.11874	1.6
514.27484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.4
60.20481	0.2
60.72762	0.1
68.54958	0.2
73.28261	0.2
91.01878	1.3
92.12396	0.2
93.03462	0.3
102.13993	0.2
117.03453	0.4
119.04887	0.2
119.24936	0.2
132.02170	3.5
132.80568	0.2
133.02950	1.0
135.00891	1.7
145.02969	0.4
153.01921	0.8
157.06593	0.3
167.05054	0.8
169.06589	1.5
171.04575	0.3
173.06049	0.7
180.05806	0.8
181.06657	0.4
183.04454	0.2
185.06128	0.5
189.05566	0.2
195.04527	3.7
196.05276	1.0
197.06128	2.0
208.05263	3.0
209.06104	1.2
211.04047	0.4
213.05556	1.9
217.05113	0.3
223.04030	9.8
224.04802	6.2
225.05548	3.2
237.05540	0.2
240.04276	2.5
241.05161	1.3
251.03516	5.5
252.04300	50.5
253.05083	100.0
254.05476	1.8
268.03717	0.4
269.04578	69.9
270.04886	1.8
275.06937	0.3
285.03989	0.3
304.09113	0.2
311.84326	0.2
341.39166	0.2
397.09244	1.3
429.27826	0.2
457.11487	29.5
458.11896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29602	0.3
59.01386	33.0
61.98813	2.1
63.59902	0.3
64.34520	0.3
71.01366	0.6
73.02945	0.3
84.95110	0.6
85.02951	2.5
89.02441	0.5
91.01915	0.7
92.12350	0.7
93.43206	0.3
97.41544	0.3
99.00861	0.6
101.02430	0.3
111.00857	0.4
113.02434	0.4
117.03492	0.3
124.88144	0.3
126.40939	0.3
132.02170	8.2
135.00876	2.3
143.06694	0.3
153.01918	1.3
164.40776	0.3
167.04970	0.3
195.04524	5.2
196.05362	0.5
208.05348	4.3
223.04022	17.5
224.04807	6.6
225.05418	0.4
251.03516	9.9
252.04297	100.0
253.05066	52.1
253.07941	0.4
254.05435	1.5
269.04568	1.8
295.06223	0.6
361.38547	0.4
397.09268	1.6
417.87421	0.3
457.11462	58.2
458.11710	2.8
461.93948	0.4
473.10559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71305	0.2
56.46093	0.3
57.03450	0.5
59.01387	3.1
61.65801	0.2
62.23365	0.2
71.01394	0.6
71.05003	0.6
72.00919	0.7
72.99294	1.6
75.54633	0.3
81.03431	0.4
83.42446	0.2
85.02950	0.4
85.06592	20.1
87.04545	0.7
88.04050	2.0
89.02453	0.4
89.03565	5.8
99.04531	0.5
101.02435	0.3
104.34788	0.3
113.06084	23.0
115.04005	54.5
129.05602	0.5
130.05096	1.5
131.07137	4.2
131.08232	1.5
132.04128	3.7
157.05048	5.6
161.08186	2.9
173.09312	0.7
174.07629	0.4
175.06119	100.0
176.16348	0.3
183.58514	0.3
227.92920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14962	0.3
55.01875	0.7
57.03234	0.3
57.03456	5.8
59.01387	35.3
60.99314	0.6
67.01896	0.5
67.39713	0.3
68.48045	0.3
68.99805	0.9
69.03452	0.9
71.01379	27.4
71.05005	0.3
72.99308	4.9
73.02935	2.0
75.00870	17.3
83.00885	0.4
83.01366	0.9
83.05024	0.6
85.02946	29.9
87.00871	11.6
88.98792	5.6
89.01946	0.6
89.02438	9.4
91.04000	0.8
92.11816	0.4
95.01394	5.6
96.75158	0.4
96.95967	0.5
99.00867	11.4
99.04527	0.4
101.02445	1.4
103.00385	2.8
107.05024	0.8
111.00847	0.9
112.01659	0.6
113.02448	39.4
115.00384	3.2
117.01925	3.6
120.05772	0.8
125.06042	0.4
129.01929	3.0
131.03468	0.7
132.02129	0.4
135.11813	0.4
149.04590	0.7
157.01434	0.8
160.29228	0.3
161.09694	2.8
161.13329	2.2
163.11346	0.9
163.54501	0.4
175.02438	2.6
187.11208	3.0
189.09192	1.3
205.07098	0.8
205.12320	2.0
207.05103	2.1
207.10254	1.7
223.04126	0.7
223.13441	1.4
231.05211	0.5
249.06152	15.4
251.03557	0.6
252.04303	6.4
253.05067	10.2
267.07230	62.6
269.04587	2.0
297.15118	0.4
341.15939	0.7
376.02081	0.4
455.19070	0.6
457.11395	3.4
457.17261	2.0
499.18182	0.7
517.19330	100.0
518.19568	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	517.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03456	1.6
58.00606	0.8
59.01389	45.6
59.31274	0.7
66.95197	0.7
71.01383	38.8
72.99299	1.4
73.02947	17.4
81.65115	0.7
83.01405	1.6
85.02958	15.2
87.00865	0.9
89.02437	26.3
92.11652	2.2
92.80279	0.7
95.01396	3.3
99.00879	43.4
101.02428	16.1
113.02455	21.6
116.28439	0.8
119.03485	4.4
131.03481	5.4
136.05264	1.7
138.06857	6.7
139.07635	1.0
141.47878	0.7
143.03474	0.8
149.04568	5.1
151.07603	5.9
152.08444	12.9
153.09221	26.4
159.02954	1.1
161.04562	10.2
161.09688	1.1
163.11276	3.1
175.29527	0.7
191.05586	8.0
205.12354	29.8
206.88445	0.8
219.20033	0.8
223.13470	6.3
226.35466	0.7
233.06711	1.3
365.14481	1.1
369.36157	0.8
369.58423	0.8
385.18765	15.0
410.55240	0.9
517.22974	100.0
518.23438	3.6
520.87769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68970	0.6
55.01889	1.6
57.03459	100.0
58.00616	1.2
59.01389	99.1
69.03473	0.7
71.01382	46.7
72.99313	2.8
73.02947	37.8
73.03276	0.6
75.85551	0.7
79.05523	2.3
81.03449	3.5
83.01389	11.0
85.02949	9.0
87.00884	0.7
89.02438	37.1
93.09014	0.6
95.01379	3.3
97.02941	0.7
97.06552	1.2
99.00845	0.9
99.04506	15.6
99.60903	0.7
101.02431	65.3
113.02436	17.2
113.06075	4.7
119.03471	13.1
123.04503	8.4
125.02424	7.2
131.03484	1.6
141.05592	3.6
142.37927	0.6
143.03531	1.1
153.05522	0.8
161.04564	5.8
179.05544	0.8
179.36833	0.6
179.42079	0.6
193.12314	9.8
206.87111	0.7
211.13454	1.5
258.61066	0.6
268.84344	0.7
269.04395	1.0
283.13269	0.6
355.17554	3.6
373.18689	87.5
415.14249	1.5
415.19745	38.6
455.22836	11.2
471.40137	0.7
517.22919	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.3
57.03196	1.3
57.03455	26.7
59.01384	7.5
60.99310	0.7
61.98830	1.5
65.00306	0.8
65.03972	1.3
66.30281	0.7
68.70448	0.6
71.01375	5.3
72.19331	0.9
72.99306	1.1
73.02928	2.9
77.03935	1.0
83.01397	8.3
83.63512	0.6
84.02142	1.4
85.02946	100.0
88.98794	3.4
89.02430	1.2
89.74026	0.7
91.01874	4.9
93.03423	0.9
95.05005	3.6
96.96013	1.2
99.00868	1.0
99.04474	1.0
101.02448	3.0
103.02049	0.7
105.03465	12.6
108.02182	5.8
109.02953	18.9
111.00882	20.9
121.02949	1.2
123.00840	1.6
123.04512	19.9
125.02466	0.9
129.01933	33.4
132.02203	1.0
133.02945	46.5
133.03954	1.7
134.03694	1.6
135.00873	1.7
135.04514	6.9
137.02457	1.1
145.01442	0.9
147.03001	7.1
147.04424	1.1
149.02444	0.8
152.01161	6.1
153.01889	1.4
159.04532	0.8
160.01607	1.5
161.02457	3.7
163.00429	1.1
163.03981	1.2
167.03482	31.6
173.00891	11.4
174.03104	0.9
175.04024	1.1
177.01904	13.3
179.03566	1.4
189.05524	3.0
191.01967	4.7
191.03503	1.0
205.87657	0.7
207.06628	0.9
227.07114	1.3
235.06056	6.4
243.06606	16.2
253.04973	1.4
254.05208	0.8
269.04602	5.3
270.04971	5.5
271.06161	13.9
281.70581	0.8
297.06250	10.2
341.05188	6.8
435.95398	0.7
475.12415	1.6
475.22067	0.8
510.24417	0.8
519.23749	0.8
529.85223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82830	0.5
54.96610	0.5
55.01876	3.8
55.96701	0.6
57.03199	0.9
57.03461	20.6
59.01112	1.2
59.01390	27.3
65.73232	0.5
67.01870	0.8
69.27676	0.5
71.01390	13.1
72.99291	0.8
73.02951	8.3
75.00854	0.6
77.03976	0.9
82.95412	2.5
83.01393	9.2
84.02170	1.0
85.02959	100.0
87.00875	1.5
88.03947	0.7
89.02457	8.7
89.03944	0.6
91.01875	3.3
95.01382	1.0
95.05020	3.6
96.95997	2.5
99.00882	24.0
101.02468	5.6
105.03462	11.8
108.02192	6.2
109.02972	6.9
111.00161	0.8
111.00884	17.2
113.02449	7.5
121.02934	4.6
123.00893	2.2
123.04523	27.3
124.01652	0.7
125.02460	0.6
126.02315	0.7
128.42946	0.6
129.00993	1.3
129.01933	30.1
131.03467	3.8
131.07086	0.9
132.02126	0.6
133.02951	48.1
134.03740	1.0
135.04532	6.0
136.39215	0.6
137.02484	0.8
139.16650	0.6
145.01459	0.6
147.02998	11.5
147.04160	0.8
149.02443	2.6
149.04529	1.2
150.03246	0.8
151.03993	4.2
152.01157	5.2
160.01643	0.8
161.02406	5.6
161.06058	0.8
163.03992	4.5
163.11247	7.1
166.02711	1.0
167.03487	23.6
167.04884	0.8
173.00929	12.8
174.03210	0.9
175.03928	1.2
175.09715	0.8
177.01921	11.8
178.02762	0.6
179.03491	0.9
181.05008	1.1
189.05592	0.7
191.01984	1.4
191.05592	3.6
192.04289	2.8
197.04436	0.9
207.06642	1.2
211.04048	0.8
216.34473	0.6
219.06715	0.6
227.03477	0.7
235.06168	5.9
243.06601	0.8
254.01978	0.8
256.03796	4.5
257.08160	1.6
271.06189	3.9
285.07718	6.0
297.06100	11.3
306.64755	0.7
307.04605	0.9
313.07251	10.1
315.08755	0.9
325.05908	0.7
341.05173	4.7
343.08212	3.5
351.03491	0.9
387.16507	1.1
519.20844	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.6
59.01382	1.3
63.02152	0.3
63.02407	4.7
63.32698	0.3
65.00331	11.3
66.82699	0.3
71.01360	0.3
72.22711	0.3
75.16415	0.3
76.88272	0.3
80.64668	0.3
81.03485	0.4
83.00925	0.5
83.01389	10.9
84.70329	0.3
85.02950	1.8
88.96930	0.3
88.98826	0.4
93.03452	6.4
101.02499	0.5
105.03490	0.4
105.92677	0.3
107.01391	23.1
117.03468	1.4
118.32128	0.3
119.05023	49.2
121.02943	0.7
125.02463	2.9
133.02950	1.5
137.02524	0.6
143.05070	1.5
145.02960	5.6
149.02431	1.3
151.00377	77.0
161.06114	1.7
165.01949	7.5
169.01430	4.6
177.01929	6.4
185.06096	4.1
187.03998	4.5
193.01268	0.6
199.07680	0.5
227.07166	4.3
229.05154	0.4
251.14058	0.3
253.05069	1.4
267.06622	0.4
269.04654	1.3
271.06165	100.0
272.06305	0.5
284.56924	0.4
289.86649	0.3
308.65680	0.3
355.06628	4.6
433.11432	0.6
437.50137	0.4
475.12598	19.7
530.23157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	0.3
59.01373	0.5
62.17141	0.2
63.02397	4.6
65.00326	11.4
83.00924	0.5
83.01387	11.1
83.01892	0.4
85.02956	1.1
92.12407	1.2
93.03449	6.9
107.01388	24.0
117.03445	1.6
118.35690	0.3
119.05019	49.2
121.02947	1.3
125.02456	3.4
129.01877	0.3
133.03000	0.6
137.02458	0.5
143.05019	1.6
145.02951	5.4
149.02452	0.7
151.00372	83.0
155.91562	0.3
157.06607	0.5
161.06119	1.6
164.01106	0.3
165.01930	6.4
167.03525	0.4
169.01450	5.2
175.41113	0.3
177.01920	5.6
185.06061	4.8
187.04012	4.2
193.01370	0.4
227.07176	5.0
229.05121	1.2
253.05038	1.2
268.66351	0.3
269.04547	0.5
271.06140	100.0
272.06494	0.6
296.00458	0.3
313.07376	0.3
334.05081	0.3
355.06747	4.6
360.21783	0.3
433.11423	0.5
451.95328	0.4
475.12497	22.4
538.08966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07809	0.7
51.40547	0.7
59.01393	0.7
61.99363	0.7
63.32383	0.7
67.01901	0.8
79.05536	4.8
82.66294	0.8
83.01400	1.2
85.02946	1.3
92.92329	0.8
93.03453	5.0
95.01398	4.0
98.88188	0.8
105.03465	3.4
107.05036	6.3
108.47803	0.8
109.02943	14.3
119.04992	1.1
121.02946	10.8
122.03746	6.9
123.00872	0.8
123.04514	71.8
133.02971	8.2
134.03741	1.0
135.00882	1.6
135.04521	21.8
136.01694	1.7
137.02463	6.6
144.76631	0.8
145.02940	1.2
148.01680	1.3
149.02435	16.2
150.03224	18.7
151.04005	26.6
156.73259	0.8
161.02419	6.0
162.03206	0.9
163.04007	25.5
164.04782	1.3
167.03554	3.1
175.70392	0.9
177.01944	3.6
178.02750	5.5
179.03525	1.9
181.05095	7.2
182.02306	1.8
205.01508	1.9
207.03052	3.1
208.03775	1.0
213.09248	1.4
217.05040	1.2
239.07172	4.9
241.08667	6.8
243.06631	7.8
253.08664	1.0
255.06633	1.9
257.08197	16.9
267.06555	1.0
269.08163	8.6
271.06122	1.7
271.65234	1.0
281.08298	1.3
283.05981	1.0
285.07703	55.4
295.05936	1.1
297.07678	13.6
313.07208	100.0
315.08810	13.1
327.08640	0.9
343.08264	45.2
355.08359	1.2
369.09897	1.0
397.09250	4.8
433.11551	5.9
475.12503	16.5
480.33261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27558	0.3
59.01387	0.4
63.02396	3.5
65.00071	0.4
65.00335	6.5
66.51293	0.3
83.01389	5.9
91.10873	0.4
92.11740	0.9
93.03451	8.3
107.00705	0.9
107.01382	17.6
108.02189	0.4
118.88999	0.4
119.05013	43.8
121.02908	0.6
125.02420	2.2
128.04245	0.4
136.01619	0.6
137.02469	0.4
145.02945	0.5
151.00366	49.6
165.01897	3.2
169.01427	2.1
170.07802	0.4
175.00401	0.6
177.01904	5.7
185.05896	0.5
193.01445	0.7
227.07330	0.5
241.16972	0.4
271.06122	100.0
272.06512	1.0
280.94965	0.5
295.06201	0.5
297.81854	0.5
313.07138	1.7
355.74359	0.5
415.10623	0.8
475.12427	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	519.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
58.69369	0.3
59.01393	2.0
61.98823	0.3
63.02390	1.6
64.15091	0.3
65.00314	3.9
65.03955	0.7
67.01890	0.6
68.99812	0.5
81.03436	1.7
83.01384	3.0
85.02955	0.5
92.12345	0.3
93.03446	8.3
95.01353	1.3
97.02921	0.3
107.01387	5.6
108.02156	1.2
109.02937	4.9
115.05527	0.7
117.07115	0.6
119.05016	5.2
121.02948	4.8
124.01639	1.1
125.02442	4.1
136.01628	0.3
137.01402	0.4
137.02434	9.5
139.05573	0.4
141.07103	2.2
143.05017	1.6
148.01640	1.4
149.02394	1.2
150.99155	0.5
151.00372	14.3
152.01109	1.7
153.01929	1.4
155.05040	0.4
157.06572	1.7
161.06091	1.1
164.01089	0.5
165.01927	100.0
166.02245	0.6
167.03551	0.4
169.01462	0.4
169.06557	0.4
173.06076	0.5
177.01949	1.5
178.99832	0.6
180.05606	0.4
181.06599	2.4
183.04498	1.4
183.08162	2.3
185.06049	1.2
193.01324	0.3
197.06070	10.3
199.07668	2.0
205.15697	0.3
208.05315	1.5
209.06114	3.3
213.05615	2.4
215.07172	1.1
224.04915	0.3
225.05582	10.9
227.07135	1.8
237.05708	0.3
239.07086	0.6
241.05058	4.4
243.06627	7.9
244.06895	0.3
252.04308	0.4
253.05064	14.3
267.06744	0.4
270.05121	0.3
271.06137	47.7
272.06586	0.5
313.07126	2.5
415.10336	0.6
433.11298	1.8
475.12500	73.6
476.12839	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	519.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03460	3.0
59.01390	10.7
63.35475	0.5
65.00320	0.7
68.91721	0.5
71.01385	4.2
73.02950	1.1
78.95891	0.6
83.01392	2.2
85.02943	4.2
89.02449	1.0
91.01888	1.0
96.96002	7.0
96.96959	1.0
101.02433	2.5
107.01414	2.8
108.02242	0.7
111.00887	2.7
113.02463	2.3
119.05024	2.1
121.02969	2.7
123.04572	0.9
132.02158	3.0
133.02934	4.1
135.00880	2.6
135.04526	4.0
151.00398	4.2
153.01938	3.2
159.04477	0.8
163.00290	0.6
167.03510	0.6
176.01181	0.7
177.01839	0.6
180.05777	0.9
181.05081	0.7
181.06584	1.1
183.04521	1.1
195.04535	0.8
196.05411	0.9
201.05693	2.1
211.04109	4.0
212.04840	1.0
223.03987	2.7
224.04825	2.9
225.05641	1.1
226.02809	2.4
227.03517	0.7
239.03532	10.0
240.04318	2.9
241.05023	0.7
253.04910	0.9
267.03046	10.4
268.03793	86.1
269.04565	100.0
271.06137	7.7
283.06055	0.6
284.34351	0.6
311.05630	2.7
381.31100	0.6
436.19595	0.6
473.10968	63.5
475.12543	2.1
479.82474	0.6
519.24414	1.2
519.31592	7.9
526.77625	0.5
542.29260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82619	0.4
57.03447	2.2
59.01371	2.0
63.42709	0.4
64.30506	0.3
65.03968	4.7
67.01884	2.0
70.89845	0.4
72.00053	0.4
74.81321	0.4
80.02682	0.4
83.01391	0.7
85.02966	7.2
85.10738	0.4
88.09962	0.4
89.64753	0.5
91.01904	5.1
93.03445	2.6
95.01344	0.7
95.04959	0.5
105.03431	0.7
105.75398	0.4
108.02199	4.2
109.02957	81.4
111.00880	1.6
112.44586	0.4
121.02949	2.3
123.00879	8.5
123.04505	5.7
124.01658	0.7
129.01910	2.2
133.02950	8.7
134.03682	0.7
135.00890	9.5
135.04587	0.9
136.01642	2.8
137.02432	3.0
149.02438	2.7
150.03253	0.6
153.01933	6.4
157.06567	0.8
161.24182	0.6
163.00380	10.7
165.01863	0.7
167.03476	2.6
173.00958	0.5
197.19237	0.5
199.07664	2.0
202.44969	0.5
225.05650	3.1
227.07201	5.8
243.06636	87.3
244.07001	0.8
253.05232	0.6
257.99106	0.5
271.06149	100.0
272.06506	2.2
285.07751	1.0
297.06259	0.7
429.61234	0.5
441.32361	0.5
473.46533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67333	1.1
53.11307	1.1
57.03443	3.4
58.00592	1.5
59.01389	79.8
59.01688	2.6
61.98859	1.7
62.48767	1.3
63.42757	1.3
71.01384	37.0
73.02950	3.7
74.13015	1.2
75.00859	1.5
79.05536	1.8
79.11446	1.2
81.03482	1.5
83.01382	3.5
85.02927	14.6
87.00826	1.8
88.98798	3.8
89.02442	40.4
101.02441	15.3
109.02933	10.1
113.02422	12.4
114.53252	1.5
119.03490	17.0
121.02965	1.6
121.06574	8.4
123.04527	11.6
133.02910	2.5
145.02954	1.6
151.00372	6.1
161.02545	1.6
161.04527	2.4
165.05548	37.8
173.83995	1.6
179.05621	3.0
197.40698	1.7
207.08226	2.3
217.06511	1.7
221.06186	2.3
229.08704	3.4
234.06819	1.6
235.07635	6.2
243.06607	2.4
253.08722	6.1
262.06451	2.0
263.07111	16.8
267.06674	1.7
268.03625	2.9
269.04437	7.2
270.04712	1.9
271.06094	13.0
271.09756	32.2
281.08234	32.5
291.06622	9.1
293.08200	8.0
294.08890	1.8
296.10663	2.9
305.61505	1.6
308.10461	5.8
309.07721	100.0
323.09201	9.9
324.10083	36.0
339.12421	64.8
376.38074	1.6
473.10559	2.2
475.11954	2.8
519.21057	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	519.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42863	0.5
57.03455	100.0
59.01384	80.0
71.01377	4.7
72.52428	0.6
73.02936	3.2
81.03443	3.7
82.63326	0.6
83.01352	1.2
85.02924	1.2
89.02416	4.0
89.83429	0.6
99.04509	62.7
101.02433	14.6
111.00889	0.8
113.02428	1.1
119.04984	0.6
125.02438	26.6
133.42763	0.6
161.04567	1.0
189.49878	0.6
220.39162	0.7
312.08353	0.7
415.26929	0.9
433.28186	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2451
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
51.40884	0.4
54.82530	0.5
55.01878	3.2
57.03461	4.2
58.00594	0.5
59.01389	36.5
66.33205	0.5
67.70713	0.4
71.01384	31.9
73.02950	14.7
83.01376	4.8
83.05026	2.0
85.02950	17.7
87.00857	0.7
89.02444	15.5
92.11674	0.8
95.01380	3.3
97.85574	0.5
99.00881	13.9
101.02438	16.5
111.00858	0.6
113.02447	13.9
114.38836	0.7
119.03502	4.1
123.08164	17.9
131.03497	2.2
133.02977	0.6
135.39464	0.5
137.09746	6.0
138.06949	0.6
143.03519	1.1
149.04572	1.0
159.03009	1.0
159.66547	0.6
161.04568	8.0
163.11290	18.7
171.11850	0.9
173.09741	2.2
179.05641	2.0
189.12857	28.8
191.05653	2.3
207.13919	25.0
225.15038	2.8
253.50685	0.8
270.05911	0.5
290.20261	0.5
387.20459	4.9
519.24597	100.0
520.24963	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64021	10.8
59.01392	23.9
61.98852	13.5
76.57710	11.9
78.95903	27.8
86.01995	9.7
88.30806	11.0
114.02734	10.7
131.90753	11.0
133.73224	10.9
152.99583	100.0
221.82724	11.0
241.11443	10.9
380.14462	15.5
437.26648	19.9
463.50961	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	520.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42542	0.2
59.01400	0.4
61.98856	0.4
66.53185	0.2
77.93387	0.2
78.95911	69.5
96.01136	0.2
96.96959	6.1
96.99326	0.4
106.19689	0.2
120.86111	0.2
150.98055	1.8
152.99594	100.0
171.00653	2.2
217.46837	0.2
279.23364	3.0
361.73407	0.2
388.79184	0.2
433.23645	31.4
434.24066	0.3
519.75275	0.4
520.26862	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	521.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00021	0.2
53.49947	0.3
57.03427	0.4
58.83046	0.2
59.01391	3.1
60.99314	17.3
65.00325	0.4
71.01374	1.5
73.02933	0.4
74.19967	0.2
76.58018	0.3
80.80894	0.2
85.02956	2.2
87.79261	0.3
88.98803	100.0
89.02438	5.9
101.02445	0.4
109.02987	0.4
111.00908	0.3
113.02472	0.4
119.04994	0.6
149.02475	0.4
151.00359	1.9
151.14232	0.3
152.00812	0.4
167.03583	0.4
194.85692	0.3
268.03848	0.3
268.56479	0.3
269.04529	0.3
272.06580	1.1
273.07016	0.4
282.55087	0.3
296.74799	0.3
329.88284	0.3
435.22513	0.4
477.13708	0.6
477.23029	1.9
521.26263	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	521.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.7
59.01385	2.5
60.52183	0.5
71.01361	1.0
72.99310	0.9
83.01385	7.2
83.86040	0.5
85.02953	0.6
92.12402	2.4
97.09762	0.5
102.11407	0.6
103.89442	0.8
111.00862	11.3
112.26329	0.5
114.42195	0.5
115.05521	0.6
118.49644	0.5
121.02945	100.0
129.01970	0.7
131.05022	5.7
133.02904	1.1
133.06598	18.9
140.33559	0.5
143.05057	2.7
159.04536	4.2
161.06073	17.1
189.05577	13.6
233.04590	5.1
259.02573	0.6
277.03418	2.1
335.45148	0.5
520.26508	0.9
521.26239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68670	1.0
53.67640	1.0
54.83188	1.0
55.01880	2.7
59.01381	1.5
71.01383	1.2
75.48344	0.9
83.01389	7.0
85.02953	1.5
111.00854	10.1
115.05501	1.6
121.02951	100.0
129.01991	1.3
131.05051	4.4
131.31783	1.1
133.06592	21.2
137.54337	1.2
143.05038	1.8
159.04503	3.6
161.06088	18.0
189.05571	12.1
224.58253	1.2
233.04573	4.3
304.97836	1.3
382.50604	1.2
521.26117	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	521.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56142	0.9
57.03443	4.8
57.88090	0.9
59.01389	25.5
62.69243	1.0
65.03955	1.4
71.01384	1.1
78.54121	1.1
78.75748	1.0
79.00436	1.1
83.01394	1.3
85.02956	14.9
86.03284	1.1
91.01881	2.6
91.05489	1.2
92.11716	6.4
93.03461	18.3
95.01377	2.0
96.95974	1.2
103.00368	9.5
104.07472	1.0
105.03428	1.7
107.05040	4.1
108.02186	1.4
109.02945	42.4
111.00842	1.9
117.03433	1.6
119.05022	25.6
121.02936	8.0
122.03736	5.1
123.04514	32.9
129.01962	4.6
131.05020	1.3
133.02936	11.4
134.03719	4.9
135.00847	2.6
135.04520	35.8
136.01624	1.4
136.05295	7.2
137.02429	6.3
137.06100	4.5
145.03001	1.5
147.04539	5.0
148.01662	15.6
149.02457	12.6
149.06044	1.8
150.03258	5.3
151.04012	23.0
153.01906	1.5
159.04529	1.4
161.02443	15.1
161.06070	5.3
162.03221	44.9
163.04012	62.8
164.04762	4.7
165.01967	1.5
165.05560	4.5
166.02672	1.2
167.03513	11.7
173.02408	1.2
175.04004	7.4
177.01886	8.5
177.05606	1.8
179.03529	5.0
181.05029	6.6
189.01942	8.3
189.05597	1.5
190.02722	42.5
191.01802	2.7
191.03511	72.7
192.04036	1.0
193.05072	2.3
194.02206	1.4
195.03021	2.5
201.05609	1.1
203.03596	9.7
207.03020	2.1
209.04578	21.2
220.03757	22.0
221.04527	19.6
225.05659	1.9
239.05635	7.2
241.08815	3.9
243.06613	27.8
243.10416	1.8
255.06689	9.3
255.10120	1.2
267.06723	1.7
267.10324	2.3
269.08157	6.6
271.09872	1.9
273.07721	36.6
283.09805	2.0
295.09778	10.8
297.07693	57.6
298.08133	1.7
299.09140	2.2
309.07486	3.9
310.07214	1.5
315.08795	100.0
325.10629	3.4
327.08792	20.4
339.08792	10.6
345.09848	30.2
357.09833	29.6
369.10175	1.6
387.10834	8.0
417.12048	21.9
435.13049	60.0
477.13669	4.6
485.20383	6.0
494.86310	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	521.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33454	0.5
53.70344	0.5
54.07779	0.4
57.03445	1.2
59.01379	6.1
63.75677	0.6
65.03960	2.5
65.46741	0.6
66.95152	0.6
71.01388	5.5
73.02915	0.8
79.05511	3.1
81.03435	2.7
83.51250	0.6
85.02953	7.4
86.03221	0.7
87.00877	8.9
89.02438	0.9
92.11791	1.2
93.03436	5.2
95.04983	0.8
96.95953	0.8
99.00868	1.0
99.11876	0.7
107.04984	1.0
108.02184	1.5
109.02949	31.1
111.00850	1.1
115.00378	10.0
119.04993	1.5
121.02954	11.8
122.03727	1.1
123.00864	0.7
123.04510	14.1
125.45309	0.6
129.01907	2.4
133.01434	12.8
133.02911	5.6
133.37120	0.6
134.03705	0.9
135.00885	2.5
135.04527	4.5
136.01649	1.0
137.02451	20.0
139.03879	0.9
148.01685	16.8
149.02451	22.4
151.03992	1.1
153.01877	1.2
161.02455	1.3
162.03235	3.0
163.03999	7.5
165.00523	1.4
165.01932	38.4
166.02722	1.3
167.03497	100.0
179.03497	2.4
183.08092	1.0
190.02754	2.9
191.03471	1.1
193.38750	0.6
194.81345	0.6
209.04599	2.7
211.07779	0.6
220.03981	0.6
227.07202	11.9
255.06653	11.1
263.13721	0.6
273.07724	84.6
285.89560	0.7
297.07706	1.0
299.05762	0.8
315.08801	5.7
345.09775	0.8
371.09879	0.9
387.16632	4.2
477.14072	7.4
520.21045	1.2
521.21149	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
59.01386	2.9
61.98840	0.3
65.03954	1.7
67.01896	0.6
68.10741	0.3
71.01381	0.4
73.02949	0.4
79.05532	3.9
80.72127	0.3
81.03462	2.1
82.62688	0.2
84.00555	0.2
85.02959	2.5
89.02433	0.5
91.01846	0.4
93.03448	3.4
93.22667	0.3
95.05031	0.4
96.96028	1.0
101.02424	0.5
107.01382	0.4
108.02155	0.6
109.02955	23.1
116.92831	0.3
119.04963	0.4
121.02949	9.7
122.03728	1.8
123.00846	0.4
123.04505	9.4
129.01938	0.3
133.02948	1.5
134.03728	1.4
135.00882	1.1
135.04506	2.0
136.01636	1.3
137.02443	15.6
139.04033	1.2
146.03799	0.3
148.01672	9.6
149.02444	15.1
153.01935	1.1
163.04005	3.5
165.01935	12.4
165.03267	0.6
166.02621	1.1
167.03502	100.0
168.03825	0.5
179.03473	0.4
181.08612	0.3
191.01988	0.3
209.04567	1.0
227.07176	4.5
229.08748	0.6
240.04129	0.3
253.04942	1.0
254.05573	0.5
255.06650	6.8
273.07718	83.4
274.08063	0.6
315.09198	0.3
377.18005	0.3
396.00574	0.3
411.04669	0.3
477.23434	1.3
521.22296	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	521.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.2
70.95372	0.2
71.01373	2.6
71.05011	1.7
72.99303	4.5
73.02937	3.2
75.00865	44.8
81.03465	2.4
85.02949	0.9
87.00865	4.3
87.04518	0.4
89.02437	2.1
99.00856	4.4
99.04492	1.4
108.59164	0.2
119.03500	0.3
125.02396	0.5
143.03485	8.9
147.53447	0.2
161.04536	5.2
161.93553	0.3
165.04059	3.7
177.07642	0.3
179.05600	100.0
180.05988	1.2
183.15782	0.2
199.91672	0.2
307.16959	0.3
341.10886	1.0
343.83957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59808	1.1
55.01868	6.7
55.53864	1.1
57.03443	6.5
57.19438	1.0
57.74678	1.1
58.00599	1.9
59.01386	100.0
60.61013	1.0
69.03452	2.0
71.01381	45.0
72.99299	2.4
73.02950	18.9
81.03451	3.1
83.01378	13.5
85.02950	23.6
87.00854	2.0
89.02410	4.7
95.01387	6.3
97.02906	2.8
99.00861	8.4
99.04459	1.6
101.02424	39.2
112.01608	1.4
113.02425	11.4
125.02433	6.6
127.11289	1.8
143.03461	5.1
147.83896	1.4
151.00336	4.2
151.19736	1.3
161.04553	5.8
217.25305	1.2
273.17078	7.4
315.18271	1.3
317.15906	2.3
369.19565	1.5
370.61136	1.3
417.21329	10.8
435.22391	58.5
477.23639	11.1
489.03458	1.4
511.75812	2.0
536.56384	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
55.88657	0.9
57.03439	5.7
58.25140	0.9
59.01385	64.7
63.02408	1.2
65.00325	2.6
65.26887	1.1
66.00661	1.1
71.01384	30.4
73.02944	11.2
79.05498	1.9
80.37403	1.1
81.03437	2.8
83.01389	10.0
85.02469	1.3
85.02951	25.3
87.00856	9.2
87.50042	1.1
88.98818	2.3
89.02435	24.7
93.03448	20.5
96.96059	1.6
97.02894	1.3
99.04498	5.3
101.02425	17.7
107.01381	5.4
109.02946	18.8
109.06563	2.4
111.00874	5.3
113.02458	11.0
119.03494	7.8
119.05018	17.2
119.08639	1.8
120.05361	5.1
121.02940	6.4
121.05582	1.4
123.04505	6.7
125.02437	6.0
127.03929	1.6
128.54982	1.2
129.01906	2.0
133.10124	2.3
135.00877	2.8
135.06645	10.7
135.08147	6.5
137.02434	30.1
137.09698	18.4
148.01624	2.6
149.02440	10.4
149.09750	1.6
151.00380	21.7
152.00620	9.1
153.00818	6.0
153.01964	1.8
153.09221	20.1
160.05252	2.8
161.04703	3.7
161.06053	4.5
161.09697	7.9
163.00349	2.3
163.04028	1.3
163.07675	9.1
164.04776	1.3
165.01933	6.2
165.05473	1.3
167.02150	2.6
167.03499	51.7
167.10748	5.5
169.01414	1.5
174.19330	1.3
175.07715	3.6
177.05696	1.3
179.05623	2.1
179.10742	6.0
181.08690	11.5
195.10283	6.1
197.08194	7.9
197.11957	2.5
223.09746	2.9
227.07071	1.5
255.06622	7.3
269.10315	1.4
271.06079	17.5
272.06473	13.5
273.07507	37.3
274.07916	2.2
297.11969	2.8
299.11356	10.0
329.13965	14.9
350.65747	1.2
359.13434	17.1
435.22357	1.9
477.13495	9.0
477.23355	14.4
521.22449	100.0
522.22687	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	522.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00681	0.6
54.65363	0.5
55.01865	1.1
57.03472	0.9
59.01389	83.4
61.98836	42.4
69.03439	1.0
71.01384	41.0
72.99328	1.0
73.02946	67.1
76.29922	0.6
76.53279	0.6
83.01389	16.2
83.01842	1.2
85.02941	5.2
89.02443	15.4
95.01392	1.5
101.02439	52.4
113.02451	10.6
119.03503	3.9
125.02461	1.3
131.03450	3.5
143.03502	1.6
149.04530	1.3
155.03497	1.1
161.04572	8.9
193.12378	7.7
203.05669	0.9
373.18484	6.5
415.19809	100.0
416.20203	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	523.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
59.01388	36.0
61.98819	2.4
71.01357	7.0
73.02929	3.3
79.16672	1.8
83.01385	3.4
85.02930	8.1
87.81557	1.5
88.98782	11.3
89.02438	2.7
90.63072	1.6
93.03452	26.0
94.69043	1.6
99.00884	1.8
99.04533	2.4
101.02421	2.2
113.02404	3.0
113.89026	1.6
123.04542	1.7
137.02441	26.5
147.32935	1.7
196.05360	3.9
234.75179	1.6
240.04303	32.0
267.02686	2.1
268.03796	77.0
282.05246	1.8
283.06149	100.0
370.11557	1.9
376.47919	1.9
433.11423	2.3
479.24814	7.4
487.12842	2.0
523.11212	2.1
523.18286	10.1
523.27209	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	523.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
57.03450	1.5
59.01377	4.6
60.02061	0.7
60.99306	5.6
71.01372	3.8
71.03532	0.7
72.42255	0.8
77.28842	0.8
79.05545	1.6
82.95415	1.8
83.01418	1.3
83.92255	0.8
85.02940	4.5
87.96632	0.8
88.04016	3.3
88.98804	23.5
91.05529	0.9
93.03450	5.0
95.01385	5.4
96.95994	1.4
101.02425	1.2
105.03487	3.2
107.05022	5.2
108.02177	0.9
109.02937	12.2
113.02436	1.2
121.02954	10.4
122.03706	5.7
123.04517	64.9
131.05003	1.2
132.02974	1.8
133.02950	5.6
134.03741	0.9
135.04527	17.9
137.02379	6.5
138.03156	1.2
145.02994	1.1
149.02443	14.0
150.03217	15.5
150.04350	1.3
151.04008	29.2
153.05544	1.0
161.02440	1.8
163.04019	31.3
167.03510	4.7
177.01967	4.3
178.02727	5.6
179.03508	1.3
181.01399	1.5
181.05089	7.5
182.02277	1.8
191.03535	0.9
193.05087	1.9
196.03679	1.3
197.04637	1.9
205.01410	4.9
207.03040	3.3
208.03706	1.3
213.09250	2.1
232.10945	1.0
239.07161	4.3
241.08763	7.8
243.06700	5.9
255.06429	1.8
257.08267	13.9
267.06610	1.2
269.08267	10.4
271.06155	1.5
281.08197	3.5
285.07706	63.0
297.07654	12.7
313.07224	89.5
315.08838	20.0
325.07166	1.5
327.08673	1.5
343.04272	1.7
343.08267	32.8
355.08197	4.0
357.09845	1.2
373.10098	1.0
379.15857	1.4
415.10318	3.9
433.11459	100.0
533.17255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01649	0.7
55.01888	13.1
57.03452	13.7
58.90339	0.4
59.01384	7.7
60.99301	2.4
61.98837	2.0
65.00323	2.0
65.70962	0.5
67.01885	2.2
68.41167	0.5
68.99809	0.8
69.03436	1.2
71.01389	4.1
72.99303	5.5
73.02937	0.8
80.02663	1.1
81.03443	2.0
81.57201	0.5
83.01383	36.4
83.05009	4.6
84.02166	11.3
85.02946	68.1
87.00867	0.9
88.98799	10.5
89.02428	0.5
91.01889	15.1
93.03442	5.9
93.06980	0.5
94.04220	2.1
95.05023	3.4
99.00886	2.0
99.04511	100.0
100.04803	0.5
101.02449	0.9
106.04232	0.5
107.05044	0.8
108.02174	27.0
109.02945	10.3
109.06587	30.8
110.03744	3.1
111.00876	58.8
111.04516	10.5
111.08151	9.4
113.06091	2.2
118.72899	0.5
121.06582	16.4
122.03725	0.9
123.00909	4.3
123.04517	62.9
123.08138	2.1
124.01690	3.5
124.05311	2.0
125.02462	2.5
129.01918	17.7
136.01657	0.8
137.06104	2.9
139.07654	37.0
149.06078	3.3
151.00433	0.6
151.03979	0.7
152.01154	37.8
154.99898	1.0
163.04056	0.9
164.04773	0.6
165.05580	0.6
166.02669	2.2
167.03496	99.0
167.07132	28.6
173.00928	2.0
174.03239	1.1
192.04285	4.8
193.05061	0.6
207.06694	6.0
211.06146	17.2
211.08034	0.9
220.03732	0.6
229.07217	1.2
235.06114	17.9
237.04103	2.3
255.05136	6.4
273.06128	3.8
279.05103	1.0
298.81940	0.5
311.11777	0.7
323.04227	2.9
373.11404	2.4
379.10495	2.1
421.20874	0.9
468.01791	0.6
522.34045	1.1
523.34027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	7.7
57.03195	1.0
57.03459	21.2
57.26418	0.6
59.01382	7.5
65.00332	1.3
65.03967	0.7
67.01894	3.1
68.13620	0.5
68.99812	1.5
69.03459	0.8
71.01390	6.7
72.99312	3.0
73.02952	1.1
73.43156	0.6
75.00884	2.5
80.02667	0.6
81.03453	0.9
83.01389	20.8
83.05019	4.3
84.02180	6.9
85.02950	100.0
89.02446	0.7
91.01878	8.8
93.03453	5.2
94.04230	0.8
95.01386	1.5
95.05021	3.7
97.48010	0.7
98.97865	0.7
99.00925	1.4
99.04516	81.9
101.02465	0.9
108.02180	18.5
109.02956	10.3
109.06585	14.5
110.03753	3.4
111.00877	38.2
111.04488	5.3
111.08154	3.7
113.02430	1.1
113.06084	0.8
121.06584	10.1
122.03722	0.9
123.00904	7.1
123.04521	41.3
123.08154	1.0
124.01677	5.9
124.05290	0.7
125.02455	2.8
129.01945	21.1
136.01671	2.5
136.05328	0.8
137.02495	0.8
137.06097	3.0
138.03227	1.1
139.00365	0.8
139.07658	23.0
141.62445	0.7
149.06078	3.2
150.03246	0.8
151.00476	0.8
152.01140	17.4
154.99904	1.1
163.04013	1.4
164.04755	1.2
165.05553	1.4
166.02734	4.8
167.03491	55.2
167.07141	31.1
167.08591	0.7
173.00912	2.8
174.03268	2.5
192.04268	8.0
202.02774	0.8
207.05058	0.7
207.06659	6.3
211.06143	10.3
212.38837	0.7
220.03786	1.5
229.07185	1.5
235.06129	22.1
237.04115	1.1
255.05077	6.2
273.06250	4.4
279.05078	3.2
280.84381	0.8
297.06232	1.1
323.04010	1.0
373.11441	4.2
379.10141	1.5
419.43121	0.8
493.23868	9.1
493.74094	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	523.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31131	0.4
55.01886	5.9
55.77894	0.4
56.22756	0.3
57.03458	9.6
59.01386	8.4
61.98833	0.5
63.97240	0.4
65.00312	0.8
67.01896	0.8
68.99811	1.8
71.01386	7.0
72.99308	1.7
73.02925	0.6
73.10818	0.4
73.82728	0.4
81.03448	2.9
81.66326	0.4
83.01390	13.4
83.05032	4.4
84.02163	7.6
85.02951	56.2
85.06570	0.5
87.00863	0.7
91.01886	3.2
93.03457	3.9
95.05022	1.9
99.00895	1.1
99.04515	100.0
101.02394	0.5
107.05009	0.8
108.02174	5.3
109.02958	8.9
109.05882	0.9
109.06597	19.4
110.03747	2.8
111.00890	20.4
111.01644	1.0
111.04510	7.0
111.08155	4.1
113.02439	1.0
113.06077	2.3
121.06589	8.2
123.00897	2.4
123.04521	19.1
123.08179	1.1
124.01669	2.1
124.05319	0.7
125.02464	1.9
129.01929	9.4
136.01613	0.6
137.06090	2.0
139.07657	20.9
146.03694	0.7
149.06107	2.6
151.49742	0.5
152.01163	6.0
154.99911	1.8
166.02750	2.4
167.03500	25.0
167.07143	45.1
173.00984	0.7
174.03235	0.6
176.04791	0.6
192.04366	2.1
207.06604	3.1
211.06165	7.5
212.30402	0.5
229.07170	1.0
235.06107	8.3
255.05161	1.8
273.06296	1.8
291.02133	0.5
297.06100	0.7
311.11588	0.6
373.11523	1.0
379.10013	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57773	0.2
52.95215	0.2
53.95847	0.2
55.04902	0.3
57.03459	1.8
59.01395	11.5
66.40045	0.3
71.01387	1.7
73.02950	3.3
75.00853	0.3
78.18276	0.3
83.01385	2.8
83.05024	0.6
83.63365	0.2
85.02971	1.8
87.00862	0.6
92.12368	0.8
93.03460	100.0
94.03793	1.3
95.05009	0.3
97.02950	1.4
97.87652	0.3
99.00884	0.3
99.04538	0.5
101.02460	2.2
107.61825	0.3
108.02246	0.3
109.06605	0.6
109.77504	0.3
109.81883	0.3
111.04557	0.3
112.08900	0.3
113.02467	1.5
119.05096	0.3
119.08657	0.6
121.06607	0.6
125.02428	0.4
125.06085	0.5
125.96590	0.3
133.10292	0.4
135.08168	1.4
137.02449	85.7
137.09689	2.8
138.02815	0.6
149.09665	0.5
161.09752	2.0
163.07664	3.7
165.09146	0.4
179.10823	2.2
181.08704	4.7
195.10243	0.4
197.11806	2.9
203.10823	0.6
219.10814	0.3
223.09758	4.6
229.08821	0.6
241.10834	2.5
247.09772	1.5
265.10843	1.9
268.03796	0.6
283.06158	0.4
283.11746	0.6
289.10721	0.4
307.11737	0.5
325.13031	0.7
385.15118	5.6
395.29947	0.3
523.18268	23.0
524.18439	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93055	1.4
57.03438	1.4
62.17480	1.6
67.54542	1.2
73.48740	1.5
91.47536	1.5
97.06570	14.0
112.41074	1.4
123.08138	8.8
125.09714	100.0
134.89455	1.9
182.79851	1.5
184.40913	1.4
187.09761	38.3
210.23636	1.6
233.12276	1.6
243.12422	12.7
261.13409	18.4
267.23288	2.8
279.23309	73.5
282.92676	1.6
376.53870	1.6
523.36414	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	525.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.48988	0.8
57.03444	0.9
59.01379	7.7
64.54333	0.7
71.01366	3.8
76.37233	0.7
76.57502	0.7
85.02944	4.0
88.98800	1.4
89.02443	1.7
91.01905	1.5
95.01348	1.2
96.95992	3.5
97.03756	0.7
101.02445	0.9
102.27918	0.7
103.73910	0.7
108.02175	31.3
113.02486	0.8
121.02973	6.8
122.03784	6.4
123.00924	1.2
123.04517	22.3
128.90178	0.9
129.01883	1.2
135.04526	1.0
136.01706	0.9
146.05679	0.7
149.02444	21.0
150.03227	67.8
151.04048	1.7
152.01155	66.9
164.04826	4.4
165.05563	68.4
166.02704	1.6
167.03496	100.0
180.04263	5.9
182.12672	0.9
195.06633	28.2
203.44191	0.8
209.04604	4.9
256.07391	5.5
271.04147	0.9
271.09778	1.0
285.04233	1.7
297.07758	1.0
315.08813	7.3
319.11752	0.8
363.10919	25.3
525.15961	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1982
Annotation	Abelioside A
Peak:m/z	Relative Intensity
55.01884	1.7
57.03465	0.4
58.00608	0.6
59.01395	15.1
70.64685	0.3
71.01388	6.0
72.99313	3.1
73.02947	6.4
75.00850	0.5
80.40356	0.2
83.01391	0.5
85.02950	3.2
87.00874	0.6
89.02445	4.6
89.05386	0.2
95.01361	0.3
95.58726	0.2
99.00856	0.3
101.02441	3.4
113.02444	1.7
119.03493	1.4
129.85985	0.2
138.64310	0.3
145.10204	2.2
155.08688	2.9
156.05783	0.3
161.09729	0.3
169.52754	0.3
171.08144	3.0
171.11787	0.3
181.10263	1.0
183.11797	18.0
185.09659	0.4
185.13394	0.3
197.09686	1.1
199.07797	1.0
199.11324	1.3
201.12883	2.4
203.07097	0.4
209.09753	0.5
211.11325	1.5
211.14948	6.5
213.16496	5.4
224.12053	1.7
225.12973	0.4
227.10806	12.3
227.14207	2.0
229.13834	0.5
229.15985	13.8
231.17564	1.9
237.12880	1.0
239.14420	26.0
241.12309	0.5
241.71561	0.3
243.06671	1.1
245.11862	2.3
255.10123	0.3
255.13889	1.3
257.15488	24.7
259.16925	0.6
271.09750	10.3
271.16904	1.0
273.14987	0.6
275.16528	8.3
281.15662	0.3
283.13431	6.1
289.10773	0.5
292.74237	0.3
299.16556	0.6
301.14468	10.1
317.13928	0.6
319.15405	2.4
327.12399	3.3
345.09424	0.5
345.13449	10.6
363.14529	30.6
387.14429	0.5
405.15552	5.1
437.22083	0.4
465.17511	1.7
481.20792	1.4
507.18784	1.3
525.19830	100.0
526.20074	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	525.1982
Annotation	Abelioside A
Peak:m/z	Relative Intensity
52.55106	0.7
55.01880	1.5
58.00603	0.8
59.01110	1.0
59.01387	22.4
71.01382	8.1
72.99303	3.8
73.02944	7.5
75.41006	0.8
78.95896	1.4
83.01389	1.3
85.02934	3.5
87.00885	1.0
88.98792	1.0
89.02440	1.9
101.02416	4.5
113.02425	2.0
145.10216	1.8
155.08646	1.7
171.08162	1.5
183.11789	20.1
201.12860	1.5
204.67068	1.2
211.14996	7.6
213.16510	4.3
227.04347	1.0
227.10849	10.4
227.14423	3.5
229.16040	9.9
239.14429	22.7
245.11841	1.6
249.17456	0.9
257.15472	26.1
259.17194	1.0
269.04538	7.0
271.09760	10.1
273.14886	1.1
275.16553	5.9
283.13345	3.9
301.14392	9.3
319.15686	1.9
327.12375	4.0
345.13257	7.9
363.14520	33.4
405.15622	5.6
465.17410	1.3
525.19867	100.0
526.20532	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	525.38
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94733	1.0
57.03439	4.7
58.01821	1.0
64.34778	1.1
97.06554	12.9
123.08147	5.8
125.09713	100.0
129.76228	1.2
134.98805	1.2
165.11761	1.1
169.08746	2.1
179.20021	1.1
181.01544	1.1
181.95013	1.1
187.09764	33.9
243.12456	14.2
249.09633	1.1
261.13568	13.2
281.24869	69.9
306.42920	1.4
525.37946	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	526.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72376	0.2
54.69778	0.2
55.59580	0.2
59.01388	23.4
61.54526	0.2
61.98829	0.3
64.02088	0.2
68.99554	0.3
78.95908	16.8
82.95396	0.2
85.41756	0.2
85.99103	0.2
89.72757	0.2
92.11795	0.3
96.96984	0.2
100.42126	0.2
112.98551	0.4
116.64526	0.2
135.68481	0.2
152.99570	3.1
168.04315	3.3
171.00578	0.2
224.06976	6.4
227.20193	100.0
228.20543	1.6
237.74507	0.3
242.08060	1.2
452.27875	51.2
453.28412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.8
55.41264	0.8
57.03440	4.7
58.00590	0.9
59.01389	100.0
64.34388	0.8
69.03456	1.0
69.95744	0.9
71.01384	45.6
72.99297	2.0
73.02948	55.7
75.00845	1.3
83.01391	14.6
85.02962	12.1
85.03444	1.4
87.00847	3.8
89.02449	17.9
92.65665	0.9
94.98056	4.3
95.01360	1.7
96.96007	12.6
99.00851	1.1
99.04494	1.3
101.02443	46.0
103.00334	0.9
107.04982	1.3
108.02203	1.0
109.02937	9.3
113.02454	19.2
118.65914	0.8
119.03497	7.1
121.06593	1.3
122.03724	1.1
123.04483	2.2
124.05225	1.6
125.02441	1.8
128.03535	1.7
131.03461	1.0
133.06595	14.5
136.05255	1.3
137.06094	1.5
139.07648	13.8
143.03464	1.0
149.04482	1.0
149.06110	4.1
150.06776	1.2
151.07593	1.3
152.01198	1.2
157.33110	0.9
161.04576	6.0
195.06528	1.3
201.12910	1.4
202.10071	1.1
204.11568	5.1
205.12366	1.9
217.12378	4.7
219.13953	4.6
251.57492	0.9
258.33563	1.0
261.11362	1.9
263.12939	3.2
281.08673	1.3
313.12860	6.7
331.14178	6.3
372.14276	18.4
373.15338	1.9
383.13718	6.8
397.18527	1.4
425.14758	3.9
439.20068	1.9
441.17892	1.1
467.28915	3.5
483.18762	61.3
527.21680	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	527.2502
Annotation	Parvifoliside
Peak:m/z	Relative Intensity
50.50453	1.5
51.28328	1.7
52.82387	1.8
55.77979	1.9
57.03464	1.9
58.00608	1.9
59.01107	4.3
59.01390	100.0
61.98824	4.4
68.99821	21.3
71.01387	49.3
72.99326	3.1
73.02937	2.4
75.00883	3.4
85.02944	24.0
87.00865	3.0
89.02448	59.1
90.71214	2.3
95.01397	2.8
96.99321	9.8
101.02459	24.6
112.43805	2.0
113.02435	18.3
113.08173	2.1
119.03504	12.7
131.03494	3.9
143.03499	2.7
161.04610	2.8
179.05608	19.9
200.52092	2.4
347.18515	3.7
365.19772	11.5
394.09204	2.4
407.21002	3.6
501.15402	2.5
527.24994	40.2
527.75055	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
57.09129	0.4
59.01375	0.7
71.01342	0.6
71.83019	0.4
72.00909	9.9
74.02076	0.7
74.02469	16.3
74.75636	0.4
78.95893	0.8
82.95406	1.0
85.02956	3.9
87.00874	0.4
96.95972	3.0
96.96941	0.8
116.05053	46.6
129.05585	1.7
130.06598	2.0
136.94073	0.4
142.06612	12.5
157.07706	0.6
159.09279	9.6
186.05585	2.4
191.02023	0.9
200.16139	0.4
203.08275	100.0
204.08600	1.7
279.19510	0.5
310.34912	0.5
323.04178	0.6
323.16986	0.5
336.79135	0.5
496.91025	0.5
510.18051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37657	1.1
55.01873	1.8
59.01388	20.6
61.98829	2.3
63.20404	0.9
64.34452	1.0
64.98100	1.1
71.01379	20.0
71.87739	0.9
72.99297	4.8
73.02927	2.1
75.00873	15.5
83.19069	1.1
85.02948	20.6
87.00874	5.0
89.02428	4.8
95.01376	2.3
99.00863	10.4
113.02448	19.5
117.01967	2.7
122.15437	1.1
142.26740	1.1
158.74866	1.2
167.72516	1.4
175.02466	1.7
231.16080	1.3
249.06184	14.2
267.07166	2.0
277.21719	71.8
355.18854	1.3
509.27979	2.1
527.28754	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	527.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05939	1.1
61.98823	1.1
72.99300	17.0
73.02936	7.6
75.00872	76.1
111.67083	1.0
137.89847	1.1
209.63345	1.1
224.97278	1.1
256.38446	1.2
348.06161	1.2
370.31091	1.4
415.34341	100.0
417.52597	1.1
497.21823	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	529.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01387	3.2
60.01725	0.1
60.99293	0.2
69.24174	0.1
71.01381	1.4
73.02942	0.9
78.95895	2.3
79.95741	2.2
83.01374	0.2
85.02946	0.9
88.98762	0.2
89.02437	0.8
89.06089	0.1
96.96003	100.0
96.96880	3.2
99.04515	0.6
101.02425	1.2
102.02807	0.2
104.09904	0.1
104.37634	0.1
113.02438	1.0
119.03518	0.2
125.02425	0.2
153.09166	0.2
158.59659	0.1
232.99289	0.1
307.17697	0.3
339.50531	0.1
348.83319	0.1
384.14377	0.2
446.76239	0.1
469.23022	0.8
484.19141	0.2
485.19589	0.3
517.87061	0.1
529.23145	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10293	0.2
58.00598	1.7
59.01385	11.8
67.01897	9.5
71.01395	0.3
71.05022	0.5
73.02946	0.4
73.95972	0.3
81.03442	1.4
83.01367	0.3
85.02945	1.2
97.06590	0.5
98.02466	0.3
99.04523	7.9
100.04043	1.8
107.85388	0.3
111.00888	100.0
113.10709	0.2
114.82473	0.4
115.04028	1.7
115.62597	0.3
125.02491	0.3
125.06071	1.3
127.04003	0.4
142.05132	1.2
143.03510	46.2
143.07130	6.6
169.05116	0.4
187.02487	7.4
187.06120	12.8
187.10876	0.4
234.79720	0.3
235.55507	0.3
411.95728	0.3
478.50757	0.3
485.20279	1.5
507.62186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35605	0.9
55.01884	9.6
57.03459	25.6
59.01109	1.9
59.01388	34.9
69.03431	1.6
71.01379	8.5
71.05022	4.4
72.99307	2.0
73.02927	1.6
73.78918	0.9
75.00888	1.1
75.07738	1.1
79.53461	1.0
81.03450	25.9
83.00923	1.7
83.01389	39.5
83.43756	0.9
84.02157	4.7
85.02950	100.0
87.00878	1.0
89.00307	2.2
89.02422	1.0
91.01895	1.2
91.80405	1.0
95.01373	2.1
95.45809	1.0
96.99299	1.0
97.02911	2.0
99.00875	1.8
99.04515	29.5
101.02421	1.8
106.00606	2.0
109.02968	1.9
111.00879	57.2
115.07643	54.7
115.08353	1.3
121.02952	61.5
123.00886	13.8
127.00387	1.9
127.04005	43.9
129.01933	37.8
136.98734	1.4
137.02477	1.7
138.03221	9.1
139.00409	8.2
147.03029	1.4
153.04463	2.0
153.05568	36.5
154.99835	1.5
166.99883	10.5
171.02985	15.2
173.00822	1.3
182.02217	27.0
183.10252	4.5
196.03828	1.4
197.04570	89.8
215.01974	7.0
237.07643	5.7
245.10350	1.8
265.07193	15.5
289.09338	1.9
306.64041	1.2
309.06293	3.5
353.05161	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	529.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82702	0.3
55.01869	2.2
57.03443	0.7
58.00608	0.5
59.01388	72.0
60.72787	0.4
61.60536	0.4
62.98865	0.4
66.63079	0.3
71.01383	24.7
72.51717	0.3
72.99290	1.9
73.02540	0.5
73.02943	10.7
73.30586	0.4
74.71154	0.4
81.03481	0.4
83.01398	4.0
83.04987	0.6
84.39902	0.4
85.02953	9.5
87.00854	2.0
89.02440	14.6
95.01377	2.1
96.95997	0.7
99.00865	1.7
101.02433	18.0
109.72577	0.4
111.04499	0.8
113.02450	10.0
114.39083	0.4
117.70122	0.4
119.03504	5.4
125.02451	0.8
143.03506	0.6
159.02989	0.4
161.04604	0.8
161.12340	0.4
171.11850	0.6
179.05629	0.6
189.12915	1.8
219.13940	0.4
237.15131	0.8
250.83888	0.4
251.34848	0.4
399.20154	0.6
425.18112	0.7
443.19208	5.5
485.20352	100.0
486.20618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01825	0.6
55.01872	1.5
57.03450	6.0
58.00576	1.1
59.01383	100.0
61.98824	1.5
71.01380	32.4
72.99293	1.1
73.02943	19.3
75.00867	0.7
83.01374	6.4
85.02946	11.4
87.00889	0.8
89.02432	15.0
95.01392	1.7
96.95995	15.1
97.02959	1.1
98.88644	0.7
99.00877	1.3
99.04510	3.3
101.02424	25.7
108.02175	4.9
113.02448	12.1
119.03488	8.3
123.04512	3.0
125.02431	1.3
125.06055	3.0
131.03542	1.1
139.07634	1.1
143.03455	1.1
143.07153	3.6
152.01126	12.0
161.04572	6.8
167.03485	14.0
171.10228	0.7
171.11781	3.0
178.64235	0.8
179.05618	1.4
189.12881	1.4
205.12189	1.0
219.13852	2.9
236.57607	0.6
237.14978	2.8
240.04198	0.8
263.12787	1.1
268.03757	1.7
283.06168	1.8
361.15378	0.8
361.22360	3.5
381.19427	1.0
399.20203	8.9
485.20300	57.1
529.19446	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03457	100.0
58.00595	0.8
59.01386	71.7
69.03445	0.8
71.01381	27.8
72.31028	0.7
72.99310	1.1
73.02945	20.4
77.49054	0.7
79.72414	0.6
81.03452	3.7
83.01392	8.5
85.02945	22.8
87.00862	3.6
89.02444	18.7
92.12402	2.5
95.01376	1.5
95.05030	0.8
97.02911	0.7
97.31722	0.7
97.67655	0.8
99.00854	3.0
99.04511	65.2
101.02438	41.2
111.00862	3.8
113.02444	13.4
113.06103	0.9
115.07640	3.3
119.03492	8.5
121.02899	1.1
123.00835	0.9
123.04505	5.1
125.02433	32.0
127.03996	3.6
129.01936	3.1
131.03479	1.0
131.56587	0.7
133.06569	0.9
139.00456	0.8
141.05582	1.4
143.03500	5.6
149.04558	1.6
151.00299	0.7
153.05550	3.1
161.04535	9.2
161.09686	2.9
167.58871	0.8
171.16788	0.7
175.07611	1.5
176.08405	4.5
179.05608	5.9
182.02261	0.7
187.11259	17.9
189.09192	2.6
190.10040	3.5
197.04559	3.6
204.11487	3.5
205.12350	21.8
209.14235	0.7
215.10817	2.9
233.11812	9.8
259.13412	5.0
265.07266	1.0
277.14465	6.8
349.16602	1.3
367.17642	5.7
385.18555	6.5
409.18719	1.0
427.19791	7.1
467.23016	1.3
472.24612	0.8
485.23911	2.9
529.22986	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	529.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64708	0.8
57.03459	78.0
57.81938	1.0
58.24091	0.8
59.01389	100.0
61.98837	1.0
65.30141	0.8
65.83965	0.9
69.03452	1.0
71.01388	24.4
72.99311	1.1
73.02952	9.9
76.13219	0.9
78.95901	1.8
81.03439	1.7
83.01375	4.0
85.02953	7.8
87.00851	1.1
89.02446	23.4
95.01385	1.3
96.95989	1.3
98.86061	1.0
99.00907	1.2
99.04518	57.1
101.02438	28.9
111.00877	1.0
113.02446	12.0
119.03492	6.7
119.38829	1.0
123.04506	1.1
125.02444	29.3
125.87522	1.0
143.03503	1.8
149.04514	1.0
161.04504	4.8
171.00673	1.1
179.05647	2.2
180.91893	0.8
205.12378	1.8
233.11815	1.7
253.04977	1.8
269.04535	1.9
367.17432	1.4
385.18829	9.1
396.68713	1.1
396.73911	1.1
427.19882	8.2
467.22720	1.1
529.22998	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	529.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
55.98725	0.6
57.03457	69.0
59.01389	100.0
62.93626	0.8
70.41892	0.7
71.01388	37.2
72.99318	1.9
73.02950	30.1
78.95905	1.3
79.05526	0.8
79.95731	1.8
81.03460	4.2
83.01404	8.3
85.02962	12.3
87.00893	6.4
88.98788	1.5
89.02448	29.6
95.01410	1.6
96.96010	79.6
97.02890	0.9
99.00887	1.4
99.04519	35.0
101.02442	41.9
109.06652	0.9
111.36494	0.8
113.02457	17.2
113.06078	1.9
119.03487	15.0
123.04509	5.2
125.01547	1.4
125.02435	29.7
125.87299	0.9
129.01939	0.9
131.03484	1.2
132.22542	0.8
137.09703	0.8
143.03503	4.6
149.04535	1.5
161.04564	12.5
161.09703	4.3
168.51106	0.8
175.07623	1.4
176.08443	4.6
179.05563	10.2
187.11305	21.7
189.09239	3.0
189.12877	1.0
190.10016	5.6
203.10764	1.8
204.11546	6.3
205.12360	25.7
215.10814	3.7
222.09100	0.9
233.11824	12.6
254.56201	1.0
259.13364	4.5
277.14575	6.7
341.02710	0.8
349.16568	0.9
367.17715	4.5
385.18719	12.7
427.19836	2.0
442.18649	1.0
485.24191	1.5
529.23041	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3025
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
55.01875	1.5
56.86311	0.6
57.03438	4.0
59.01386	19.2
67.36894	0.6
67.37257	0.6
71.01385	18.8
72.99310	6.8
73.02923	0.8
75.00874	18.3
76.18235	0.6
78.95909	1.4
83.01354	0.8
85.02949	26.4
87.00885	10.1
89.02446	8.2
95.01362	4.4
99.00870	9.9
103.00360	3.5
110.98534	0.9
113.01719	1.0
113.02451	24.0
115.00328	1.2
116.92808	0.9
117.01942	3.6
119.13636	0.7
129.01921	1.6
150.21100	0.6
157.01430	1.0
167.01126	1.3
175.02470	1.5
191.81085	0.7
223.08282	0.7
240.05489	0.7
249.06200	4.1
267.07224	6.6
279.23322	100.0
280.23682	1.2
283.62198	0.7
389.19922	0.7
447.25174	7.7
511.29419	1.7
529.30255	93.7
530.30286	1.1
540.21240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3028
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.03450	2.3
59.01385	14.8
65.72935	0.5
67.01890	0.5
68.99805	1.3
71.00986	0.8
71.01382	14.7
71.15755	0.5
72.99314	5.5
73.02947	0.7
75.00872	16.6
78.95895	1.1
79.95747	0.5
83.01394	0.8
85.02951	17.8
87.00870	5.5
89.02434	3.6
92.01369	0.5
95.01382	4.3
96.96004	7.1
99.00866	7.3
99.92572	5.8
101.02402	0.5
103.00381	1.0
113.02449	17.2
114.93416	2.5
115.00360	2.6
116.92857	49.6
117.01949	2.7
128.03514	0.9
129.01924	0.6
152.57689	0.6
157.06174	1.1
175.02507	2.3
231.05196	1.2
249.06152	13.0
254.25725	0.6
267.07272	1.0
279.23318	90.4
280.23642	1.2
307.78345	0.6
385.54031	0.6
447.25177	2.4
511.29425	2.9
529.30286	100.0
530.30280	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	530.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50100	0.1
57.95576	0.1
59.01374	0.2
65.22292	0.1
69.41863	0.1
76.79402	0.1
78.95898	4.4
88.60804	0.1
121.22654	0.1
152.99617	0.8
168.04329	1.3
194.48642	0.2
224.06990	0.8
242.08038	1.3
255.23311	100.0
256.23828	0.3
279.23306	0.3
280.23666	0.6
479.75409	0.2
480.30994	33.0
481.31567	0.3
515.23376	0.2
530.31012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	1.2
63.83481	0.1
65.80473	0.2
70.09496	0.2
76.38605	0.2
78.95914	17.8
96.96931	0.2
105.45985	0.2
134.98544	0.2
152.99590	2.5
168.04311	3.2
196.55008	0.2
224.06955	7.6
225.25433	0.2
233.04092	0.2
237.22214	0.3
242.08093	1.4
255.23326	100.0
256.23929	0.2
279.23318	0.2
469.73950	0.2
480.31003	56.3
481.31491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
59.01376	0.8
59.94745	0.1
71.01377	0.5
72.49713	0.1
75.00864	0.2
79.95722	1.5
84.03566	0.1
85.02953	0.6
85.74874	0.1
85.75478	0.1
95.01346	0.1
96.95999	100.0
99.00871	0.1
109.02948	0.2
113.02443	0.5
121.02951	0.5
123.01027	0.1
123.04514	1.3
123.08126	0.1
135.04543	0.3
149.02504	0.2
150.03201	0.2
151.04027	0.5
156.20555	0.1
163.04053	0.7
165.01900	0.2
167.03464	0.3
171.11827	0.2
181.05046	0.1
193.05232	0.1
241.08592	0.1
249.06146	0.5
257.08188	0.1
267.07205	0.3
281.13794	0.1
285.07666	1.4
313.07181	1.9
315.08856	0.5
327.94272	0.1
343.08298	0.7
387.16507	0.2
433.11392	2.0
451.94135	0.2
491.06128	0.1
531.20898	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21082	0.8
52.34827	0.9
55.01887	9.6
57.03459	14.1
59.01104	1.1
59.01388	22.4
67.01874	0.9
67.51190	0.9
71.01368	1.9
71.04999	4.2
72.99299	3.8
81.03456	19.2
83.01398	23.9
84.02148	4.6
85.02949	33.7
89.03973	1.7
99.04521	23.0
108.13559	0.8
111.00880	45.4
117.03466	10.9
121.02953	100.0
127.02491	0.9
127.04007	24.9
129.01941	22.2
131.04982	4.2
133.02927	1.0
133.06595	14.9
134.03737	98.0
137.02446	2.2
149.06090	11.5
159.04599	1.2
160.01665	5.3
161.06096	11.3
171.03006	12.6
175.04022	4.2
178.02722	11.0
189.05574	14.7
193.05075	82.4
215.01921	7.1
233.04616	1.2
251.05688	4.9
261.07761	1.0
269.04550	1.3
291.91663	0.8
293.06589	1.3
393.56744	1.0
403.18277	1.0
531.28461	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1149
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
51.20856	0.8
52.74634	0.8
55.01700	0.7
55.01896	12.5
57.03190	1.3
57.03456	23.9
57.13699	0.8
58.41250	0.9
59.01109	1.7
59.01385	37.3
61.98838	1.1
64.34989	0.9
67.01914	1.2
71.01380	7.2
71.05026	1.4
72.00284	0.9
72.99310	5.0
73.02950	2.4
73.46764	0.9
75.00858	1.0
76.38217	1.0
77.04778	0.9
81.03465	13.2
83.01392	29.5
84.02180	4.5
85.02959	91.7
89.03990	1.2
93.03455	34.8
94.65197	0.9
95.01366	1.2
97.02935	1.1
99.00888	1.3
99.04522	22.9
101.02452	1.3
111.00882	52.2
117.03479	5.9
121.02956	77.7
123.04481	1.2
125.91067	0.9
127.04018	21.9
129.01945	43.0
131.05019	6.3
133.02995	1.5
133.06584	16.2
134.03741	100.0
137.02451	29.5
143.05069	1.0
147.02986	1.9
149.06071	11.4
154.18207	1.1
154.99789	1.0
159.04550	2.3
160.01671	9.2
160.70918	1.0
161.06065	11.2
171.03011	9.9
173.00887	4.0
175.04002	8.4
177.05656	7.5
178.02702	11.8
189.05664	9.0
191.02042	1.2
193.05077	69.2
200.11198	1.0
205.05112	6.7
215.01964	3.8
217.08524	1.1
249.04031	1.9
251.05583	7.1
261.07690	5.5
273.06174	4.3
291.07214	3.9
293.03128	1.4
293.06436	1.9
295.04645	2.3
308.60147	1.1
411.09406	1.6
492.07236	1.0
548.00842	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.115
Annotation	Apigenin 7-methyl ether 5-(6'-malonylglucoside)
Peak:m/z	Relative Intensity
55.01888	5.6
57.03455	21.1
59.01109	1.2
59.01387	27.5
64.34779	0.7
67.01902	0.8
69.03439	0.7
71.01391	7.5
71.05010	2.2
71.48933	0.6
71.78660	0.5
72.99310	2.6
73.02950	1.2
74.05983	0.5
75.00874	0.7
76.72758	0.6
81.03454	10.0
83.01394	11.2
84.02187	2.4
85.02950	27.1
89.02438	2.5
89.03961	0.9
90.36845	0.6
93.03477	0.8
93.52944	0.6
96.96030	1.1
97.02968	0.7
99.04517	19.3
101.02441	4.6
109.02943	0.7
109.27151	0.6
111.00879	20.9
113.02456	2.8
117.03461	11.5
119.03565	0.9
121.02949	59.2
122.03287	0.6
125.02429	4.8
127.04005	17.5
129.01941	13.3
131.05016	6.7
133.02924	1.2
133.06593	23.6
134.03738	100.0
135.04391	1.4
135.61162	0.7
137.02448	3.3
143.05115	1.0
149.06094	9.1
159.04523	3.3
160.01665	1.3
161.06075	13.1
171.02991	8.9
175.04010	2.9
178.02701	10.7
189.05580	17.4
193.05061	91.8
194.05345	1.3
215.02025	3.8
233.04604	3.1
251.05641	8.1
261.07724	1.1
269.04437	0.7
293.06763	3.7
300.77283	0.6
386.05127	0.7
387.20242	1.3
531.24469	5.2
532.39520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1148
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
52.41171	0.5
53.63711	0.4
55.01879	3.8
57.03454	30.3
59.01384	20.4
59.01688	0.5
60.99299	1.1
61.98826	0.8
65.53417	0.5
68.99806	0.6
71.01379	5.8
72.99313	1.1
73.02945	2.8
75.05056	0.5
78.91881	6.3
82.32135	0.5
82.85303	0.5
83.01369	6.8
84.02176	1.1
85.02943	100.0
87.00851	0.8
88.98791	8.9
89.02441	2.3
89.03982	0.6
92.12290	1.0
93.03440	0.8
93.69355	0.6
96.95998	57.7
99.04505	5.0
101.02412	5.4
111.00874	14.0
113.02451	2.5
117.03456	5.4
119.03569	1.2
119.05008	22.5
119.94582	0.5
123.04519	0.7
125.02431	3.8
129.01924	35.4
134.03726	36.6
135.04544	0.6
145.02954	15.1
147.03012	11.1
149.06068	3.5
160.01683	2.6
163.04019	13.0
163.11263	1.2
163.29536	0.5
173.00893	8.1
175.04015	2.8
178.02728	2.4
191.02003	7.9
193.05061	23.0
203.14522	0.7
209.02963	0.9
231.06630	1.4
261.07730	1.3
293.06683	2.3
337.05878	0.8
367.06671	2.8
385.07751	3.5
387.16617	9.5
410.25870	0.5
429.17520	4.8
444.99811	0.6
469.20789	1.0
525.69824	0.6
527.90143	0.6
531.21124	3.1
550.70020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02012	0.5
55.01867	0.7
57.03201	0.8
57.03455	20.4
58.00605	0.7
59.01384	100.0
69.85009	0.5
71.01380	16.6
72.99332	0.6
73.02935	10.8
74.49892	0.6
81.03437	0.6
83.01380	3.2
85.02940	4.0
85.53567	0.6
89.02431	12.5
92.12496	1.2
95.01376	0.9
99.04507	5.5
101.02433	20.2
113.02441	5.9
119.03500	5.9
123.04530	2.6
125.02463	0.8
125.59174	0.8
131.03545	1.0
163.11302	9.6
197.06076	0.6
207.10271	14.5
224.04720	0.8
229.63168	0.7
247.26787	0.6
252.04231	2.6
253.05067	57.6
254.05421	8.7
268.03702	3.6
272.41080	0.6
283.06137	2.3
369.15561	1.3
387.16632	71.5
429.17679	43.5
457.11636	0.8
469.20755	9.7
508.29193	0.6
531.20868	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86206	0.5
57.03194	0.7
57.03455	17.5
58.02983	5.6
59.01387	100.0
61.98821	0.7
70.02969	4.0
71.01379	17.6
72.00901	0.9
72.99306	0.9
73.02946	13.2
74.02074	1.1
74.02471	23.0
83.01382	4.0
85.02940	7.9
89.02441	12.6
95.01393	1.2
98.02475	6.0
99.00879	0.8
99.04490	3.9
101.02436	17.8
104.50079	0.6
112.26894	0.6
113.02446	7.6
116.03543	9.1
116.05051	9.6
119.03453	4.6
123.04493	0.7
130.06601	1.1
142.06642	1.0
159.09270	2.8
161.04559	2.4
163.11284	53.2
201.10300	1.5
203.06406	1.1
203.08287	30.6
207.10260	4.0
207.89528	0.7
211.14487	0.6
235.82114	0.8
245.09326	47.5
263.15674	0.7
369.15570	2.8
387.16629	78.7
429.17685	40.5
429.23630	0.9
469.20880	8.5
531.20892	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58839	0.7
55.01874	1.7
57.03457	100.0
58.00597	0.7
58.07344	0.7
59.01388	84.7
61.98830	1.8
62.10579	0.7
63.67594	0.8
69.03471	0.7
71.01387	22.3
73.02961	8.3
80.06461	0.8
81.03435	1.4
83.01373	6.2
83.05013	1.0
83.70174	0.8
84.02216	0.8
85.02948	22.4
87.00852	3.8
88.98812	1.4
89.02434	9.4
89.76733	0.7
95.01389	1.3
96.95994	1.9
99.00855	1.4
99.04516	63.5
101.02431	25.8
101.03081	1.5
111.00877	1.3
113.02457	11.8
116.92850	1.7
119.03502	3.5
123.04519	1.1
123.08139	10.3
125.02426	24.9
129.01918	3.2
137.09746	1.5
143.03485	1.6
147.03102	0.9
147.04524	7.6
161.04579	4.8
161.05907	1.3
163.11292	9.5
179.05658	1.0
179.21408	0.8
189.12849	14.2
191.01968	1.8
207.13911	17.9
212.04683	1.0
225.14977	3.6
237.16194	1.0
239.03326	1.1
240.04338	1.6
267.03067	1.3
268.03766	16.3
269.04517	10.9
281.08801	5.8
283.06061	11.2
295.90683	0.7
363.17154	0.9
386.08157	1.0
387.20370	7.8
414.07086	1.0
429.21619	6.6
431.19180	1.6
469.24484	1.0
487.20966	3.9
495.22290	1.5
531.24988	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	531.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
59.01388	100.0
71.01387	13.7
73.02943	16.5
75.00871	1.4
83.01392	3.3
85.02937	8.5
89.02431	10.0
90.93071	1.5
101.02428	14.4
111.00849	2.9
113.02440	3.6
120.51189	1.5
121.02946	7.9
129.01949	1.7
133.06638	2.1
134.03703	1.9
175.62590	1.6
189.61172	1.7
193.05109	1.9
202.93930	1.6
265.18039	1.8
292.16669	2.6
294.10071	1.6
427.23318	5.9
445.24271	6.1
469.24408	3.3
487.25571	81.9
531.28198	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82817	1.1
55.01887	1.2
57.03460	1.8
59.01388	44.1
71.01389	12.8
72.99289	1.2
73.02946	5.2
79.95745	1.0
83.01395	3.9
85.02954	10.8
87.00908	1.6
89.02460	2.1
95.01382	1.0
96.96009	46.9
96.96954	1.8
99.00886	1.2
99.04533	1.2
101.02432	11.0
105.22356	1.0
111.00894	1.7
113.02442	4.0
131.55339	1.0
134.03722	2.0
172.11194	1.2
193.05099	1.4
203.50784	1.1
265.17996	2.0
283.19196	6.8
296.84662	1.2
350.83475	1.1
427.23209	5.5
445.24435	26.7
445.30164	1.6
479.25378	1.1
487.25543	100.0
531.28583	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	531.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	1.4
59.01373	0.8
61.98825	0.9
62.26081	0.8
68.86666	0.7
72.00574	1.0
72.00917	14.9
74.02453	0.8
82.02980	1.2
84.04544	5.4
89.34487	0.9
91.05549	3.1
101.07249	1.3
109.04078	8.7
112.04037	3.8
116.05006	1.1
116.92847	1.0
118.06625	1.4
127.05134	31.8
128.03540	83.6
132.27477	0.8
147.03337	1.5
147.04527	48.7
164.07175	100.0
214.08792	1.5
231.11421	1.1
249.12503	0.9
254.24927	5.9
255.23233	4.3
257.09351	9.3
275.10440	13.2
279.66516	0.8
321.29150	5.8
366.26547	11.6
469.34818	1.3
487.35770	0.9
513.33362	32.8
531.34460	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82899	2.6
62.09414	2.3
77.13210	3.0
88.82146	2.3
106.27361	2.5
107.04989	2.5
122.03780	3.7
135.04517	100.0
140.72244	2.4
163.11281	72.1
164.78412	2.5
177.09209	56.6
178.09947	12.9
179.10811	17.9
184.04126	2.5
191.10826	13.5
249.24100	2.7
278.21808	2.7
298.15707	32.0
310.15756	3.7
311.16595	18.5
340.20261	12.7
353.21573	7.9
354.21970	21.9
355.22958	25.6
474.27805	95.5
491.19608	2.5
516.32727	28.3
531.34460	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	532.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.5
58.53795	0.3
59.01380	1.5
69.03447	2.2
69.03787	0.3
71.01385	20.2
71.09378	0.3
72.00922	4.4
72.04542	0.5
75.15247	0.3
77.36505	0.3
82.02984	14.8
84.04547	0.4
84.51423	0.3
85.02952	13.8
87.00829	0.4
91.05556	0.7
92.11697	0.5
96.96005	14.8
98.95595	0.7
100.04039	9.1
101.02437	8.2
103.10913	0.3
111.00878	0.4
113.02444	1.9
115.00375	8.3
115.39832	0.4
118.06622	0.7
121.02953	100.0
122.03268	0.6
128.03564	1.8
129.01936	32.2
143.07198	0.5
147.03319	0.5
147.04527	15.5
151.07663	2.1
152.08089	0.4
164.07182	36.6
186.09235	0.5
206.08363	0.7
214.08769	0.4
215.39229	0.4
232.09885	0.9
237.04037	8.9
248.09172	0.4
276.08774	15.0
294.09869	40.1
295.10254	0.4
510.87778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0944
Annotation	2'-Hydroxygenistein 7-O-(6'-malonylglucoside)
Peak:m/z	Relative Intensity
54.09140	0.2
56.05893	0.3
57.03422	0.2
59.01388	3.5
60.14784	0.3
63.02420	0.3
65.00327	0.6
66.18130	0.2
68.25318	0.3
83.01388	0.5
91.12671	0.3
93.03461	1.5
107.01372	3.0
108.02157	0.6
109.02959	0.7
117.03476	0.6
118.29770	0.4
119.01410	0.4
132.02168	2.5
133.02937	0.8
135.00888	3.4
143.05051	1.5
151.00381	2.2
155.04977	0.4
157.06691	0.4
159.04529	1.7
163.00336	3.3
164.01160	0.7
167.05023	0.5
169.06636	1.6
183.02979	0.4
183.04530	1.9
185.06097	3.0
187.03978	3.9
189.05603	1.7
195.04559	1.2
197.06163	1.4
199.04097	1.3
200.04839	0.6
201.05630	0.8
208.00182	0.4
211.04050	4.3
212.04878	0.6
213.05539	2.6
223.04022	0.7
224.04776	0.4
227.03537	46.3
228.04085	0.5
229.05084	13.7
239.03545	4.3
240.04308	1.9
241.05077	1.5
247.02032	0.4
253.21378	0.3
255.03015	91.9
256.03702	4.0
257.04587	7.4
267.03006	2.5
268.03796	12.1
269.04568	19.1
283.02679	0.8
284.03293	100.0
285.04074	95.0
286.04581	0.5
389.17868	0.7
413.08664	0.6
473.10938	9.5
489.10455	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31603	0.1
59.01385	5.8
63.02401	0.7
64.22987	0.2
65.00336	0.8
67.37423	0.2
78.64401	0.2
83.01393	0.2
88.51705	0.2
88.98769	0.2
91.01870	0.7
92.12374	0.3
96.83015	0.1
97.95000	0.2
107.01409	1.2
115.03842	0.2
117.03445	0.2
121.02900	0.2
125.61686	0.2
126.10358	0.2
132.02164	2.6
133.02919	2.5
134.03653	0.1
135.00893	1.2
135.04503	0.3
141.30180	0.2
151.00392	0.3
153.01918	0.3
157.02928	0.7
159.04515	1.2
161.02577	0.2
167.04980	0.2
169.06566	0.7
176.01176	0.3
180.05733	1.2
181.06592	1.6
183.04562	1.4
184.05269	0.2
195.04483	0.9
196.05312	1.1
197.06116	0.9
199.03984	0.8
201.05626	2.1
201.07289	0.3
211.04054	3.5
212.04840	1.1
213.05565	0.8
223.04036	1.4
224.04796	2.4
225.05640	2.2
226.02794	0.9
227.03508	0.7
236.04959	0.2
239.03490	7.2
239.07057	0.2
240.04309	3.1
241.05049	1.0
250.02802	0.2
253.05080	0.9
255.02995	0.4
267.03009	8.7
268.03796	63.8
269.04572	100.0
270.04965	0.8
281.04688	0.2
283.06213	0.7
284.03244	1.1
285.03995	0.3
285.07764	0.3
291.06653	0.9
311.05634	1.8
335.05673	0.7
340.54294	0.2
341.06683	0.2
373.09518	0.2
413.08823	5.5
473.10941	41.9
474.11539	0.9
489.10605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81226	0.2
54.92411	0.2
57.03469	0.3
59.01115	0.4
59.01397	8.5
59.42940	0.2
61.50965	0.2
62.72258	0.3
63.02399	0.5
63.05856	0.2
64.80381	0.2
65.00332	0.4
68.62366	0.2
73.02956	0.5
83.01389	0.4
84.99256	0.2
85.02956	0.6
91.01904	1.0
99.04503	0.3
101.02388	0.4
107.01397	1.3
117.03387	0.3
119.05012	0.3
121.02962	0.3
132.02167	3.3
133.02950	2.5
134.03754	0.3
135.00877	0.9
135.04477	0.5
149.02399	0.3
151.00340	1.1
153.01953	0.5
157.02951	0.5
159.04535	1.6
167.05017	0.3
169.06543	0.4
176.01143	0.3
180.05772	0.6
181.06581	1.5
183.04527	1.2
184.05225	0.4
195.04533	1.0
196.05334	1.2
197.06161	1.1
201.05630	1.9
211.04092	3.5
212.04858	1.2
216.18256	0.3
223.03969	2.5
224.04810	3.4
225.05653	1.4
226.02676	1.3
227.03477	0.3
239.03493	7.6
240.04314	3.1
241.05156	0.5
241.92868	0.3
253.05048	1.0
265.15363	0.3
267.02979	8.2
268.03787	70.2
269.04562	100.0
270.04837	2.0
281.04581	0.4
311.05695	1.5
335.05746	0.3
413.08899	7.6
473.10922	45.7
474.11249	1.5
533.29529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51783	0.1
56.02988	0.1
59.01388	5.1
63.02387	0.9
65.00324	0.6
83.01369	0.2
91.01872	0.5
92.12408	0.2
92.20891	0.1
93.03429	0.1
101.02428	0.1
107.01376	1.1
117.03439	0.2
121.02964	0.4
132.02170	2.3
133.02953	3.3
135.00894	1.0
135.04514	0.6
147.00880	0.1
151.00386	0.4
153.01996	0.4
155.05046	0.2
157.02943	0.7
157.06531	0.2
159.04521	1.4
161.02437	0.2
167.05011	0.1
168.05725	0.2
169.06554	0.7
171.04536	0.2
173.05991	0.2
176.01262	0.3
180.05836	1.2
181.06584	2.4
182.03728	0.2
183.04495	1.6
184.05292	0.2
195.04509	0.8
196.05324	1.5
197.06129	1.2
198.03255	0.1
199.04036	0.7
201.05591	2.2
205.07007	0.1
209.06053	0.6
211.04066	2.5
212.04765	0.6
213.05615	0.7
223.04041	1.3
224.04829	2.8
225.05630	1.9
226.02751	0.8
227.03528	0.6
239.01180	0.2
239.03531	4.5
239.07147	0.1
240.04305	2.2
241.05055	0.8
253.05074	1.9
265.05078	0.2
267.03003	5.4
268.03793	45.5
269.04572	100.0
270.04880	1.8
271.06073	0.4
281.04504	0.2
282.05316	0.2
283.06143	0.7
291.06766	0.2
293.04474	0.4
311.05624	2.2
342.34521	0.1
356.95926	0.1
371.24136	0.1
396.22705	0.1
473.10931	37.1
474.11377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89963	0.2
51.87732	0.3
55.01897	1.4
55.98322	0.3
56.61261	0.3
57.03456	9.8
58.11774	0.3
59.01388	7.5
67.01895	1.5
69.03451	0.3
71.01380	3.4
72.99306	2.4
73.02937	1.5
74.02474	1.3
75.00886	0.4
80.09251	0.3
83.01392	1.4
84.02145	0.3
85.02948	62.0
87.00873	36.9
89.02437	1.9
90.10025	0.3
99.00867	3.1
99.04554	0.7
99.19955	0.3
101.02448	2.3
101.06064	2.8
102.98598	0.4
104.03531	0.3
111.00880	86.5
111.04518	0.8
112.04042	0.4
115.00378	2.6
115.04009	1.8
117.01926	1.5
119.03523	0.6
120.26789	0.3
127.09013	0.3
127.78822	0.3
129.01929	10.8
129.05569	0.8
130.99867	0.6
131.03535	0.5
144.06723	0.6
146.08221	0.3
147.02985	3.2
149.04573	0.4
154.99818	0.5
159.02985	0.4
167.74246	0.4
172.06195	0.3
173.00955	4.0
173.04514	1.3
177.07675	0.5
189.08812	2.3
190.01759	0.4
190.07210	3.9
190.09048	0.5
191.01984	100.0
191.05603	15.5
191.09178	2.9
192.02357	0.4
208.75272	0.4
224.98439	0.3
225.72606	0.3
261.32758	0.4
268.85181	0.3
273.58749	0.3
275.22540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17147	0.2
54.80736	0.2
56.43931	0.2
56.47931	0.2
57.03478	0.2
58.01146	0.2
59.01381	1.3
60.99315	17.6
61.98832	0.5
64.73279	0.2
68.59470	0.2
71.01382	0.4
72.24458	0.2
85.02954	1.0
88.98805	100.0
89.02451	0.3
96.96003	1.1
108.02245	0.3
109.02934	0.2
128.03555	0.6
129.01984	0.3
133.03001	0.4
136.89218	0.5
137.06129	0.3
152.01207	0.5
265.62341	0.2
274.40015	0.2
371.66211	0.3
373.29211	0.4
443.19434	2.3
489.12488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82757	2.4
57.03453	4.5
59.01385	90.3
71.01382	18.7
73.02946	4.1
83.01379	7.2
85.02961	16.7
89.02454	11.8
92.11672	3.1
96.95979	2.9
99.44292	2.1
101.02462	13.5
107.01393	2.2
111.00872	3.2
111.59421	2.5
113.02467	3.9
117.03468	21.9
119.03500	4.6
119.05044	15.9
121.02953	3.6
123.04472	2.2
132.02235	3.2
133.02966	2.7
133.06662	2.7
134.03711	3.2
139.33324	1.9
145.02962	87.7
161.06100	3.1
163.04008	8.4
163.11295	3.5
167.03580	2.4
188.12651	1.9
207.10294	9.0
239.03464	3.4
267.03101	2.6
268.03741	39.5
269.04578	100.0
270.05121	2.0
290.90305	2.0
330.93549	1.7
387.16608	75.6
471.38126	1.8
473.11005	30.5
473.27213	1.8
489.26694	3.0
515.55505	2.2
533.20453	56.7
533.29602	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14218	0.4
57.03191	0.9
57.03461	21.1
57.03747	0.7
59.01390	100.0
68.38712	0.4
71.01388	12.4
71.92352	0.4
73.02965	4.7
82.95400	0.6
83.01401	2.5
85.02954	7.1
87.00856	0.6
89.02446	5.5
96.95990	0.6
99.00900	2.1
99.04524	3.7
101.02435	14.6
110.86528	0.5
113.02454	6.7
116.67385	0.5
119.03503	2.5
143.03560	0.7
161.04575	2.5
172.58490	0.6
209.11868	0.9
227.13004	0.9
269.04758	0.7
280.96851	0.5
329.16046	0.6
371.17230	4.6
389.18201	77.4
390.18555	0.7
390.57883	0.5
431.19260	45.6
471.22415	9.9
533.22467	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.4
57.03450	1.0
58.00613	0.9
59.01393	100.0
68.96788	0.4
71.01389	28.8
72.99310	0.5
73.02953	16.5
74.91464	0.4
83.01382	3.7
85.02960	10.3
87.00896	1.1
89.02444	36.0
94.45132	0.5
95.01399	2.2
97.02952	1.1
99.00878	16.9
101.02444	22.7
111.00887	0.6
113.02451	15.6
119.03494	13.5
125.02425	1.8
131.03502	3.9
143.03548	2.7
148.71144	0.5
148.85187	0.6
149.03529	0.7
149.04546	5.0
150.21104	0.4
158.09453	0.5
161.04575	3.2
178.80930	0.5
179.05690	2.1
191.05586	5.0
202.61314	0.5
203.05695	2.0
233.06636	0.9
249.14830	0.5
297.17233	0.5
315.18222	4.0
329.04520	0.5
357.19449	0.9
375.80667	0.5
429.21408	1.1
447.22360	28.1
473.12057	0.6
489.23438	66.7
490.23422	0.5
533.30225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.8
57.03442	1.4
58.00600	1.0
59.01388	100.0
63.11455	1.1
64.33899	1.0
67.45765	1.0
69.03452	1.5
71.01386	43.1
72.99329	1.5
73.02946	32.3
76.28662	1.1
83.01381	5.2
85.02942	14.5
87.00864	2.1
89.02440	32.1
92.12403	5.0
96.96028	4.1
99.00880	58.3
101.02438	24.2
111.00871	2.7
113.02453	21.2
119.03494	6.5
125.02431	1.5
131.03499	7.9
143.03549	1.6
149.04558	13.1
155.75877	1.2
161.04515	5.4
191.05620	16.4
203.05637	4.6
233.06686	1.5
237.32178	1.3
239.07126	1.6
268.03766	5.7
269.04578	10.0
283.06116	1.4
285.06882	1.3
388.41354	1.1
401.17935	1.3
447.22229	18.2
473.10632	1.7
489.23230	39.1
533.30255	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	533.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92622	1.0
55.01883	1.3
57.03451	1.5
57.56432	0.7
57.56781	0.7
58.00607	1.2
59.01394	100.0
62.74893	0.8
69.03456	1.4
71.01393	31.4
72.99309	1.1
73.02959	25.9
83.01386	5.8
85.02957	9.9
87.00851	1.3
88.49054	0.9
89.01952	1.6
89.02451	30.4
94.21171	1.0
95.01384	1.2
99.00882	36.3
101.02442	20.5
101.71105	1.0
108.20517	0.9
111.00891	1.3
113.02449	15.5
119.03479	7.7
121.27071	0.9
124.26454	0.9
125.02430	1.5
131.03493	4.9
137.73616	1.1
140.65900	0.9
143.03488	1.4
149.04543	8.4
155.55531	1.1
159.02995	0.9
161.03363	1.0
161.04572	5.8
169.61993	0.9
186.10472	0.9
191.05612	12.5
191.10222	1.3
203.05630	4.3
232.65547	1.1
233.06653	2.1
268.03830	2.0
269.04520	4.3
315.18106	3.1
447.22049	15.7
473.10754	1.5
473.27594	1.3
489.22940	33.3
533.29852	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.5
57.03458	2.5
57.05104	0.5
59.01387	36.5
61.73852	0.6
71.01385	12.3
72.99310	0.9
73.02950	7.0
83.01376	5.0
85.02966	7.2
86.00088	1.0
87.00867	1.2
88.35096	0.6
89.02488	0.6
95.01388	0.9
99.12470	0.7
101.02425	11.3
113.02448	4.9
223.12231	0.7
227.98560	0.8
239.20197	1.0
267.19601	1.3
285.20767	9.8
327.21933	1.0
373.83200	0.6
401.25891	0.7
429.24985	8.1
447.26010	30.7
489.27130	100.0
533.29675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61835	3.2
57.03446	3.8
59.01399	41.0
62.57986	3.4
66.02091	3.3
71.01392	16.7
82.98598	3.7
85.02953	6.4
90.15633	3.8
101.02439	6.9
113.02438	5.5
127.40550	4.4
224.33748	4.1
225.43323	3.9
285.20700	5.6
315.12256	4.0
429.25089	5.2
447.26099	24.4
489.27121	100.0
533.29718	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	534.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67778	0.3
59.01363	0.3
60.02768	0.3
61.98824	1.5
76.97360	0.3
78.95911	19.4
78.96378	0.7
85.02954	0.4
111.31919	0.3
116.66505	0.3
121.40856	0.3
122.00111	0.6
124.32481	0.3
128.64729	0.3
140.01183	6.2
141.31316	0.3
152.99582	2.1
196.03816	9.3
214.04922	2.3
224.41948	0.4
255.23314	100.0
256.23657	1.5
366.44296	0.4
410.68973	0.4
421.75815	0.4
452.27878	49.8
453.28220	0.6
534.28137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55204	0.4
55.01885	4.4
57.03455	20.3
59.01143	0.5
59.01390	6.9
65.63728	0.4
67.01907	0.9
70.18171	0.4
71.01375	2.7
71.04991	0.6
72.99309	0.8
73.02953	1.0
75.00891	0.5
78.42014	0.5
81.03479	4.1
81.03886	0.3
83.01389	10.4
84.02151	3.3
85.02955	100.0
85.62842	0.5
86.84736	0.4
87.00842	0.6
89.00376	0.5
91.01891	2.5
91.89888	0.5
92.11707	0.9
97.24343	0.5
99.04510	5.7
101.02471	0.7
108.02206	1.2
109.02939	1.0
111.00895	18.9
114.38711	0.5
121.02954	40.1
123.00921	3.9
123.04543	6.3
125.02444	2.0
125.99572	0.6
127.00378	1.1
127.04018	10.5
129.01939	24.1
129.02890	1.1
133.06628	2.5
134.03734	9.9
135.04552	0.9
137.02451	2.2
138.03185	4.0
139.00392	4.5
139.04044	0.7
141.11835	0.5
147.03008	8.0
149.06136	1.9
152.01157	1.7
153.05580	10.3
153.56316	0.5
154.99884	0.6
156.55814	0.5
160.01671	3.4
161.06107	1.9
162.03229	0.5
166.02776	0.9
166.97948	0.5
166.99927	2.2
167.03493	13.6
171.02995	4.3
173.00912	7.6
175.03958	3.7
178.02750	0.7
179.03563	0.6
182.02252	3.9
189.04140	0.6
189.05664	2.7
191.01945	4.9
193.05077	6.2
196.03806	2.0
197.04562	21.0
207.03041	0.8
215.02113	1.9
222.05365	2.2
235.06178	1.8
237.07756	2.6
251.05675	0.6
261.07770	1.1
265.07196	7.9
295.04767	0.5
297.06290	3.0
323.07901	0.8
327.07495	2.1
341.05179	2.3
359.06207	1.1
369.08450	0.6
385.07834	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	6.4
57.03455	16.8
59.01388	12.1
61.95264	0.5
67.01884	1.0
67.41441	0.5
69.03458	0.6
71.01385	4.2
71.05017	1.4
72.99287	2.4
81.03458	13.8
83.01383	18.2
84.02158	3.0
85.02950	65.0
87.00890	0.7
89.00321	2.3
95.01388	0.7
97.02898	0.6
99.00879	0.7
99.04509	17.3
106.00592	2.5
111.00875	27.9
121.02946	100.0
123.00873	8.2
127.00372	1.2
127.04002	23.3
129.01936	19.0
130.42770	0.6
133.06572	2.4
137.02443	2.3
138.03189	6.9
139.00380	5.7
139.03983	0.7
140.76942	0.6
147.03015	1.3
153.05582	23.9
154.99887	0.8
161.06139	2.4
166.99910	6.6
171.02998	9.6
173.00923	0.7
179.03419	0.7
182.02217	15.7
189.05634	2.5
193.05186	0.7
196.03786	1.2
197.04575	49.0
207.02975	0.9
215.02005	2.4
222.05373	2.8
237.07666	3.2
250.04688	0.7
251.05652	1.1
265.07205	13.3
269.04196	0.9
270.04684	0.7
293.06909	0.6
309.06174	1.0
327.07242	3.0
353.05112	0.8
386.60565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.2
57.03463	14.8
57.87181	0.7
59.01389	82.4
61.68663	0.7
63.02420	1.5
65.00329	10.7
71.01391	14.2
72.99297	2.0
73.02944	5.7
81.03465	3.3
82.95384	1.0
83.01383	18.7
85.02949	48.3
87.00869	2.2
88.98820	1.1
89.02431	5.2
93.03448	5.3
94.65843	1.0
95.01383	2.0
96.96013	3.6
97.02934	1.5
99.00890	1.8
99.04519	3.8
101.02453	11.0
107.01394	24.7
108.02190	1.6
109.02964	3.2
110.00149	1.6
110.13440	1.1
111.00883	20.0
113.02477	7.1
116.92825	1.0
117.03426	1.0
119.03621	0.9
119.05028	23.5
121.02962	24.4
123.00872	1.3
123.04527	3.7
125.02444	5.8
127.04018	5.1
129.01961	15.7
133.02980	1.8
134.03740	10.4
135.04520	61.7
139.00443	1.1
147.02982	2.0
150.18979	0.8
151.00377	100.0
151.03949	1.6
152.01082	1.0
153.02020	1.4
153.05576	6.5
161.02504	1.0
161.04468	1.2
162.02347	1.1
165.01941	4.3
165.98996	1.5
166.99911	1.7
167.03485	5.5
169.01443	4.4
173.00900	3.4
175.03998	0.9
177.01913	5.6
178.02748	1.0
182.02272	1.7
189.05522	0.9
191.01994	1.9
193.05089	4.8
197.04536	12.1
236.09773	0.9
243.03038	1.0
265.07245	1.2
269.04407	2.1
270.04974	1.2
271.06146	53.3
286.04788	1.8
287.02533	1.5
287.05658	39.8
287.22244	1.1
316.65756	0.9
391.19885	1.3
431.26550	20.2
449.27612	7.6
491.12115	21.4
535.31189	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	535.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45187	0.4
55.01882	4.5
57.03458	24.3
59.01386	2.7
60.91941	0.4
67.01891	0.6
68.99837	0.4
70.83707	0.3
71.01379	1.9
72.70438	0.3
73.02921	0.5
75.00856	0.5
81.23549	0.4
83.01383	5.6
84.02164	2.3
85.02950	100.0
87.00862	0.4
89.03951	0.5
91.01884	2.7
95.01365	0.4
101.02416	0.5
103.00400	0.5
108.02173	3.8
109.02946	0.5
111.00158	0.8
111.00881	12.1
117.03472	2.5
123.00826	0.5
123.04518	9.5
125.02423	1.6
129.01933	35.7
132.02197	0.5
132.21107	0.4
134.03738	26.2
137.02429	0.8
145.01488	0.5
147.03008	9.3
149.06064	3.2
152.01166	4.3
160.01674	2.3
161.77849	0.5
167.03490	15.6
173.00912	7.7
175.03960	2.9
178.02705	1.6
191.01996	8.7
192.04298	1.0
193.05069	18.8
207.06645	0.8
209.03087	1.4
220.03802	0.4
233.50087	0.4
235.06206	4.2
240.34033	0.5
245.79239	0.4
259.06119	0.6
261.07788	1.0
269.04547	0.6
279.05127	0.5
287.05637	0.6
291.00073	0.4
297.06238	5.6
323.07849	0.8
341.05206	2.4
359.06311	3.6
367.06744	1.8
385.07901	3.4
531.13965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.6
57.03456	20.2
59.01385	3.7
71.01380	2.5
72.99310	0.7
73.02925	0.7
73.42799	0.4
75.00820	0.4
76.58188	0.4
83.01385	6.0
84.02171	0.9
85.02950	100.0
87.00897	0.6
91.01859	3.7
101.02411	0.6
105.72713	0.5
108.02158	4.2
109.02981	0.6
111.00880	11.4
117.03453	0.8
123.00877	0.7
123.04533	10.6
123.35372	0.5
124.01586	0.7
129.01935	27.0
132.02136	0.5
134.03735	21.6
137.02435	0.6
147.03003	9.7
149.06079	2.1
152.01178	3.4
160.01686	2.8
167.03514	18.6
173.00917	8.4
175.02731	0.4
175.03967	3.9
178.02725	1.0
191.01987	13.5
192.04318	1.0
193.05051	11.5
207.06564	0.7
209.03105	2.9
235.06090	3.2
261.07690	1.1
297.06177	3.3
323.07700	1.8
341.05173	3.7
359.06232	4.5
367.06717	1.1
385.07889	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.1
57.03193	0.9
57.03458	19.9
59.01386	3.9
71.01379	2.1
73.02930	0.6
75.00866	0.5
75.81361	0.4
83.01391	6.3
84.02152	1.6
85.02950	100.0
89.03940	0.5
91.01884	1.1
101.02478	0.5
103.00386	0.7
108.02170	3.8
109.02971	0.9
111.00883	13.7
117.03485	2.3
123.00916	0.5
123.04520	7.7
124.01644	0.7
129.01936	26.5
134.03740	26.5
137.02394	0.8
145.01413	0.7
147.03009	10.0
149.06102	2.3
152.01151	2.9
160.01637	0.9
166.02808	0.8
167.03503	12.4
172.76768	0.5
173.00917	8.1
174.88222	0.4
175.04019	3.0
178.02695	1.0
181.05247	0.4
189.05698	0.5
191.01952	9.0
192.04323	1.9
193.05069	17.9
204.24530	0.5
207.06635	1.8
209.02992	1.7
235.06084	4.4
261.07678	0.8
297.06137	7.7
323.08130	0.8
341.05246	2.0
359.06369	3.4
367.06830	3.4
385.07797	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	535.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26870	0.3
54.82244	0.4
55.01886	6.1
57.03457	22.5
58.40773	0.4
59.01389	6.2
59.90573	0.4
60.38327	0.3
67.01878	0.6
71.01389	3.6
72.99293	1.0
73.02930	0.7
73.52010	0.3
79.80167	0.4
81.03451	1.8
82.31149	0.5
83.01385	8.9
84.02173	2.6
85.02950	100.0
86.76669	0.4
87.00893	0.5
87.63073	0.4
91.01892	2.1
99.04517	1.9
103.00359	0.5
106.00540	0.7
108.02171	2.4
109.02961	0.9
111.00880	17.7
117.03452	1.5
121.02953	16.4
123.00916	1.6
123.04532	7.2
127.04022	2.6
129.01938	25.8
131.04970	0.4
133.06604	2.5
134.03738	19.5
138.03154	0.7
139.00388	0.7
147.03008	9.4
149.06088	1.0
152.01175	1.0
153.05577	4.8
159.04640	0.4
160.01656	1.8
161.06113	1.0
163.04144	0.5
167.03490	10.4
171.02969	1.0
173.00908	8.0
175.04050	0.9
178.02602	0.5
182.02248	2.0
189.05620	1.6
191.02019	6.9
193.05080	12.1
197.04568	14.7
197.06299	0.8
207.06645	0.7
209.03137	0.6
215.01927	0.7
235.06108	3.1
255.79361	0.4
261.07736	1.0
265.07196	1.9
297.06143	5.2
341.05176	1.8
347.30521	0.4
359.06262	2.3
367.06744	1.8
385.07706	2.0
431.60269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90041	0.3
53.51284	0.3
55.01877	0.8
57.03464	3.6
59.01387	24.7
61.98544	0.5
61.98835	12.8
62.91563	0.3
71.01376	6.0
71.20381	0.3
72.99288	0.6
73.02943	2.8
75.00868	1.6
77.08325	0.3
82.95401	1.3
83.01370	2.1
84.02144	0.3
84.34303	0.3
85.02939	18.6
87.00892	0.7
89.02427	1.9
91.01857	0.5
92.11772	0.5
93.03452	2.4
95.01360	0.8
96.95972	0.7
97.50525	0.3
99.00859	1.5
99.04564	0.5
101.02427	3.0
108.02206	0.3
109.10212	0.3
111.00845	3.2
113.02435	3.3
114.30235	0.4
117.03417	0.5
119.03472	0.4
119.05036	3.9
121.02925	2.3
123.00880	1.8
123.04495	0.8
124.00754	0.7
124.01649	18.0
125.00433	0.3
125.02458	0.7
129.01903	3.6
131.03566	0.4
134.03761	3.4
137.02385	0.7
139.00368	6.8
145.02925	0.5
147.02998	0.8
149.06145	0.5
151.00410	2.5
152.01146	26.4
165.01917	1.4
166.02708	100.0
167.03453	3.5
169.01428	2.1
173.00797	0.5
175.04105	0.4
178.02750	1.2
179.03529	0.5
181.05077	54.4
191.01927	1.3
193.05093	2.7
197.04587	0.8
253.18271	0.3
255.13145	0.3
268.03738	1.8
269.04498	6.8
270.04791	5.2
271.05582	4.0
272.06897	8.6
287.09283	50.8
297.05954	0.4
338.09921	0.4
431.26471	2.3
449.14389	0.6
449.27545	1.4
474.11447	1.6
475.11389	2.8
478.24982	13.3
478.31815	0.4
478.75125	4.9
491.15695	11.2
500.24692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
59.01373	0.2
68.99822	0.1
72.57056	0.1
73.02956	0.1
85.02949	1.1
91.01885	0.5
92.11670	0.2
94.28739	0.1
117.03448	0.1
129.01909	0.2
133.02956	0.6
135.00890	0.7
147.03052	0.1
153.01939	0.3
173.00862	0.1
180.05870	0.3
195.04507	0.1
196.05284	0.4
197.06058	0.8
208.05305	0.9
209.06110	1.3
223.03999	0.7
224.04774	1.8
225.05521	0.9
236.04791	0.2
237.05577	0.8
249.05457	0.1
251.03499	0.1
252.04272	1.7
253.05077	100.0
254.05406	1.7
255.06485	0.2
267.06647	0.4
275.07138	0.2
281.04562	0.1
295.06146	1.7
369.69440	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	537.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86624	0.1
57.03444	0.2
59.01371	0.2
60.79145	0.1
61.50097	0.1
64.34731	0.1
66.82314	0.1
69.60389	0.1
73.02971	0.1
83.01392	0.1
85.02945	0.8
86.03276	0.1
88.27653	0.1
90.26349	0.1
91.01901	0.5
92.12405	0.3
101.37299	0.1
108.02207	0.1
115.74983	0.1
117.03461	0.1
122.31440	0.1
123.98482	0.1
132.02217	0.1
133.02959	0.6
135.00874	0.6
152.01212	0.1
153.01965	0.2
167.03522	0.1
169.06631	0.1
180.05840	0.2
181.06552	0.2
195.04387	0.1
196.05345	0.4
197.06049	0.6
198.78242	0.1
208.05283	0.9
209.06114	1.2
211.03967	0.1
223.03999	0.5
224.04805	2.0
225.05644	1.0
227.07275	0.1
237.05615	1.0
251.03401	0.1
252.04344	1.8
253.05090	100.0
254.05424	2.0
255.06633	0.2
267.06631	0.3
275.07114	0.2
281.04660	0.1
295.06107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96415	1.1
55.01890	9.6
55.24643	1.2
57.03464	21.4
59.01109	1.4
59.01393	23.9
68.99863	1.5
71.01393	3.2
72.99318	2.9
73.02925	1.3
75.00898	2.0
81.03460	2.1
83.01397	13.6
83.05036	2.1
85.02956	79.9
87.00867	1.4
88.66360	1.3
93.02895	2.5
93.03457	49.2
98.63232	1.2
101.02413	2.3
103.00413	1.6
108.77856	1.3
111.00880	27.3
121.02948	100.0
129.01945	29.6
131.05040	2.4
133.02974	2.0
133.06584	18.2
137.02429	39.6
149.06015	1.4
156.89642	1.3
159.04544	3.5
161.06071	15.7
173.00851	2.4
175.03990	1.4
177.05573	11.2
189.05585	24.3
205.05083	14.6
233.04730	2.6
251.05650	7.1
253.05000	5.0
295.04678	3.4
477.34442	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	537.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11468	0.5
51.82147	0.5
54.82292	0.6
55.01892	10.7
56.57590	0.6
57.03453	9.4
58.65659	0.6
59.01389	8.2
65.95992	0.6
71.01381	4.1
72.99281	2.2
75.00912	0.7
83.01390	16.3
84.02171	1.4
85.02952	41.5
87.00901	0.9
93.03454	86.3
99.00900	1.2
101.02422	3.4
109.35533	0.6
111.00880	27.0
115.05524	1.3
117.41386	0.6
121.02953	100.0
129.01936	11.6
131.05017	10.3
133.02963	2.9
133.06595	33.0
136.01656	1.0
137.02448	73.2
143.05046	5.7
149.06149	0.8
158.03812	1.0
159.04512	7.4
161.06088	28.0
173.00989	1.1
177.05554	4.5
187.49416	0.7
189.05583	18.5
205.05069	8.8
215.91191	0.7
218.59673	0.7
233.04564	9.4
249.04086	1.3
251.05746	1.5
277.03485	2.7
293.02975	1.5
295.04587	4.7
417.08234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96378	1.4
55.01876	7.5
57.03455	17.1
57.48013	1.2
58.00286	1.8
59.01159	1.3
59.01389	24.0
71.01366	8.1
72.99287	3.5
73.02937	1.9
83.01389	13.2
83.05021	2.1
85.02950	86.5
87.00838	1.8
89.02426	2.1
93.03452	56.9
99.00862	2.0
103.00390	2.3
111.00883	21.5
121.02953	100.0
129.01921	28.4
131.03450	1.7
131.04971	7.1
133.06598	21.0
137.02457	39.9
143.05025	2.0
153.38963	1.9
159.04530	2.2
161.06064	18.6
162.95969	1.6
173.00972	4.0
177.05574	9.6
189.05597	20.7
191.14584	1.6
205.05060	12.7
233.04559	2.6
251.05673	2.1
253.05156	3.8
272.90176	1.6
277.03586	2.0
295.04578	3.2
338.61902	1.8
417.03110	1.8
417.08505	2.3
458.26810	2.1
477.34760	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	537.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.4
59.01390	9.2
66.41743	0.2
71.01389	4.0
72.99326	1.9
75.00874	38.4
85.02957	3.1
87.00878	4.4
89.02444	5.8
89.44209	0.2
91.22613	0.2
92.11734	0.4
92.26763	0.2
97.03011	0.2
99.00868	3.7
101.02442	1.3
104.02866	0.2
105.01929	0.4
111.00896	1.0
115.28870	0.2
129.01933	12.1
141.01906	1.4
159.02983	3.6
162.28717	0.2
176.93556	0.2
177.04054	6.7
195.05106	100.0
196.05476	0.5
240.47620	0.2
290.09100	0.2
319.47513	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11751	0.7
55.01870	1.8
57.02818	0.7
57.03436	1.4
58.01364	0.7
59.01388	100.0
61.98835	1.6
71.01382	16.8
71.12230	0.8
73.02936	5.3
75.00867	1.4
78.02238	0.9
83.01373	3.5
85.02948	11.5
87.63781	0.8
88.98802	1.7
89.02415	4.5
95.01350	1.2
99.00874	1.3
101.02431	13.5
104.21162	0.8
113.02464	8.1
122.25845	0.9
125.02437	1.2
161.04530	1.7
165.37329	0.8
169.91202	0.9
178.18561	0.9
186.68747	1.0
253.05045	5.5
289.23804	4.9
331.24887	1.1
363.58160	0.9
417.13837	0.9
433.28165	26.6
451.29129	14.4
469.18848	1.0
493.30276	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69399	1.0
59.01389	68.6
59.18065	1.2
78.95906	21.0
100.98351	1.4
146.68669	1.2
152.99629	3.2
168.04341	2.0
181.50580	1.3
189.66066	1.3
207.22543	1.3
224.06996	8.0
233.60350	1.3
237.20047	1.4
243.19691	63.9
255.23320	100.0
293.21289	4.7
340.21588	1.4
423.53864	1.4
472.49771	1.8
480.31033	64.3
481.31363	3.1
537.33282	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4895
Annotation	5-PAHSA
Peak:m/z	Relative Intensity
51.12280	0.2
61.98840	0.4
63.74959	0.3
64.60445	0.3
83.69823	0.3
95.02530	0.3
125.09737	1.6
172.67747	0.3
187.09695	0.5
252.90527	0.3
255.23320	64.1
256.23788	0.5
261.13391	0.4
281.24875	100.0
282.25247	0.4
432.50247	0.3
499.36432	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	538.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76672	0.2
52.45863	0.2
54.82729	0.3
59.01389	6.2
61.98838	100.0
71.01389	2.1
71.49994	0.2
73.02955	0.2
77.37414	0.2
83.01411	0.2
85.02962	1.0
89.02474	0.3
89.32045	0.2
93.03453	0.4
96.96045	0.4
101.02435	0.8
107.01423	0.3
107.13199	0.2
111.50439	0.2
113.02448	0.5
119.05035	0.6
151.00380	2.6
151.69064	0.3
154.80211	0.2
165.01993	0.4
177.01994	0.4
180.92383	0.3
189.63109	0.2
253.05290	0.3
271.06195	4.3
433.28625	0.5
434.28598	0.4
475.12360	3.5
516.30029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93568	0.7
58.49252	0.7
59.01112	1.5
59.01389	35.3
61.98820	3.5
78.95904	26.8
92.11717	1.5
96.96966	0.9
107.44633	0.8
110.21801	0.7
110.81741	0.9
152.99580	4.3
168.04326	4.8
212.85683	0.8
213.64926	1.1
224.06882	10.1
227.10645	1.0
239.20189	100.0
240.20433	0.9
242.07980	3.5
253.21674	1.8
389.35220	0.8
419.53793	0.9
464.27869	72.8
465.28534	1.1
515.86328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44890	0.4
51.80890	0.5
53.04729	0.4
55.01892	4.9
55.73034	0.4
57.03456	27.8
57.03744	0.9
58.88056	0.4
59.01379	2.3
60.50351	0.4
64.84451	0.4
68.99817	0.5
71.01368	2.4
75.65626	0.5
83.01379	6.1
84.02174	1.7
85.02949	100.0
87.00887	0.5
91.01905	5.0
95.01378	0.5
106.00610	0.5
108.02180	2.8
109.02929	0.8
111.00874	9.6
121.02959	14.7
123.00896	2.7
123.04517	13.0
124.01637	0.6
127.00363	0.5
129.01938	37.8
138.03236	0.7
139.00368	0.8
139.04050	0.8
147.03000	7.4
152.01193	4.0
153.05585	9.1
166.99828	1.0
167.03496	23.5
173.00902	5.9
182.02184	3.4
191.01994	5.4
192.04279	0.5
197.04558	15.2
197.06271	0.6
209.02937	1.1
222.05420	0.7
235.06180	3.7
265.07236	3.5
297.06067	3.1
327.07312	3.4
341.05270	2.8
359.06171	3.5
371.06467	0.5
389.07135	3.4
483.24411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41133	0.4
53.71612	0.4
55.01892	3.5
57.03455	23.4
59.01386	4.4
64.25681	0.5
66.96587	0.4
67.01884	0.6
68.99827	0.7
71.01384	5.0
72.99318	0.7
73.02930	0.7
82.54989	0.5
83.01389	7.7
83.21729	0.4
84.02168	2.4
85.02946	100.0
86.03294	0.5
87.92584	0.5
91.01867	3.9
92.31243	0.5
96.96006	0.6
101.02443	1.0
103.92017	0.8
108.02172	3.5
109.02910	0.6
111.00870	12.5
113.92789	0.5
121.02943	13.9
123.00890	3.0
123.04515	10.9
124.01596	0.7
125.30852	0.5
127.00407	0.6
127.05095	1.6
128.03525	7.9
129.01927	33.2
137.02446	0.5
138.03235	2.2
139.00380	2.5
139.04012	0.9
147.03017	7.1
147.04529	2.5
152.01137	4.0
153.05562	9.2
159.50224	0.5
164.07175	4.1
166.99892	0.9
167.03484	21.1
173.00928	8.7
182.02205	3.8
185.09520	0.5
191.01991	5.6
192.04243	0.6
197.04581	15.9
209.03114	1.9
222.05386	0.8
235.06091	3.6
257.09500	0.9
265.07181	3.4
275.10367	0.8
293.11581	3.1
294.11929	0.7
297.06207	3.8
327.07339	4.0
327.10727	0.5
341.05206	4.1
359.06531	3.5
371.06308	1.8
389.07401	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	539.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51656	0.4
55.01896	4.5
57.03466	40.2
59.01111	1.0
59.01394	25.6
60.99326	1.0
61.98817	0.4
63.98438	0.5
65.00307	0.5
67.01909	0.5
68.99831	0.9
71.01387	8.9
72.99318	0.5
73.02956	3.4
76.57415	0.4
81.03479	0.7
83.01391	7.7
83.05051	0.5
83.59829	0.5
84.02166	2.8
85.02956	100.0
85.68466	0.4
86.19920	0.5
87.00880	0.8
87.38877	0.4
88.98814	12.3
89.02448	0.5
91.01900	2.4
93.03459	2.0
99.04517	12.2
100.06629	0.5
101.02434	6.8
103.00352	0.4
107.01366	0.6
108.02177	2.0
109.02936	2.7
110.06944	0.6
111.00880	13.6
113.02481	0.8
115.00394	2.6
121.02950	28.8
123.00916	0.9
123.04527	7.8
125.02439	15.3
129.01938	31.0
129.99892	0.5
133.02937	0.7
134.03761	0.8
135.04523	15.2
137.02438	1.1
137.77501	0.5
138.03285	0.7
139.00439	0.7
147.03012	8.8
151.00366	3.6
152.01146	2.6
153.01982	2.5
153.05574	4.0
154.99811	0.5
161.02458	3.3
161.04640	1.1
161.09828	0.9
163.00443	0.5
167.03491	16.1
173.00897	8.4
173.06180	0.5
178.99925	1.8
179.03500	12.6
182.02246	1.7
191.01935	5.4
197.04599	6.2
202.81923	0.5
209.03038	1.0
222.05417	0.5
235.06149	0.9
237.04126	2.4
251.11385	5.8
259.06100	6.4
265.07239	2.5
269.04553	5.4
287.05768	2.3
293.12515	3.3
297.06165	2.6
301.12918	5.2
322.83231	0.6
327.07162	4.7
332.54343	0.6
335.07742	5.9
341.05099	3.5
359.06213	2.8
371.06204	0.8
395.15533	10.4
437.16788	1.0
449.10849	9.2
449.15964	0.7
512.91815	0.5
539.13483	1.4
539.20428	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	539.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32191	0.2
55.01885	0.4
57.03458	3.3
59.01385	8.8
60.01729	0.3
61.98815	0.3
62.93944	0.3
63.05170	0.3
65.53110	0.3
71.01391	2.9
73.02953	5.6
78.05439	0.3
78.91891	1.2
82.96590	0.3
83.01405	0.4
85.02948	2.5
89.02443	0.7
99.00885	2.9
99.04539	0.5
99.92588	9.4
101.02444	4.3
107.05011	0.3
113.02428	2.4
116.07166	1.2
116.24630	0.4
116.92853	100.0
117.01948	4.9
117.92879	0.4
134.63873	0.3
161.04588	1.5
185.25748	0.3
231.47450	0.3
253.05061	0.4
263.14948	2.3
395.19214	5.3
415.19626	0.3
429.39886	0.3
437.20242	2.1
539.22400	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	539.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00696	0.2
54.54772	0.2
55.01897	0.4
57.03473	1.1
57.51864	0.2
59.01105	0.5
59.01394	9.8
65.57793	0.2
67.61244	0.2
68.99812	0.3
69.03470	0.3
71.01394	4.2
73.02950	1.9
76.02090	0.3
81.03463	2.7
83.01394	1.7
85.02965	4.6
87.00882	0.6
89.02433	0.3
93.03455	0.6
95.01384	2.8
99.00875	0.4
99.04521	0.6
101.02439	2.0
102.31150	0.3
108.02182	72.1
109.02959	61.7
113.02429	2.1
119.08659	0.6
121.02953	1.6
121.06528	0.3
123.00887	2.8
123.04514	1.3
125.02424	0.5
133.02957	0.3
135.00922	1.5
135.04524	0.5
135.08153	1.4
135.11780	0.5
137.02406	0.3
137.09709	5.8
151.04004	1.4
152.01160	92.5
153.01947	32.2
153.09286	0.4
161.04602	1.2
161.09731	1.8
163.04010	1.4
163.07668	2.6
165.01953	0.6
179.10789	1.7
181.05156	0.3
181.08752	3.2
197.11897	1.5
223.09804	0.6
247.52098	0.4
315.07294	5.6
357.69604	0.3
369.34299	0.3
372.83142	0.3
477.17654	3.9
479.15515	4.2
495.18930	3.4
521.16602	1.5
539.17773	100.0
540.18018	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	539.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
61.98545	0.5
61.98837	10.8
77.92807	0.5
78.95482	0.9
78.95912	20.5
88.76164	0.4
99.36098	0.4
100.66717	0.5
101.31574	0.5
110.67489	0.4
115.07672	0.6
122.00118	0.5
140.01205	6.6
152.99593	2.6
196.03815	11.7
214.04869	2.7
246.92639	0.5
265.21329	0.5
270.30289	0.5
279.23309	100.0
280.23721	0.6
343.61472	0.4
365.01242	0.5
413.65091	0.5
476.27872	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85068	0.3
59.01392	25.4
59.47720	0.3
61.15106	0.3
61.98845	0.4
78.95910	18.3
91.76015	0.4
109.08229	0.3
117.65481	0.4
122.98454	0.4
150.50856	0.3
152.99599	3.4
168.04315	3.1
224.06950	7.7
224.32333	0.4
241.21753	100.0
242.07974	2.0
242.22173	0.8
370.11508	0.4
466.29425	55.5
467.29547	0.5
543.74341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17489	0.3
54.19466	0.3
54.34041	0.3
60.31139	0.3
73.86947	0.4
74.77295	0.4
78.95898	18.3
80.18314	0.4
87.01839	0.4
92.12354	1.1
134.98445	0.4
152.99594	3.3
168.04358	3.0
213.97829	0.4
220.96077	0.5
224.06931	8.0
242.07886	1.5
255.23308	100.0
256.23682	0.5
480.30981	60.0
481.31403	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	541.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.7
59.01392	1.6
70.51070	0.1
71.01382	1.0
72.78986	0.1
72.86739	0.1
78.95900	1.7
79.95739	1.6
85.02961	0.5
87.02633	0.1
89.02447	0.8
95.01398	0.1
96.96004	100.0
96.96997	2.8
101.02412	1.0
113.02447	0.4
119.03524	0.2
159.36079	0.1
171.75089	0.1
228.55353	0.1
245.43745	0.1
293.20828	0.1
319.09644	0.1
331.96463	0.1
353.19727	0.1
379.16022	0.1
400.21094	0.1
443.13229	0.1
443.19250	4.0
443.25027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2298
Annotation	Nudifloside C
Peak:m/z	Relative Intensity
52.31165	0.3
54.33399	0.3
55.01875	0.9
55.79045	0.3
57.03463	3.4
58.00605	0.6
59.01387	25.3
71.01382	13.7
72.99314	0.7
73.02945	8.9
81.03474	0.4
83.01372	1.9
83.05025	7.4
85.02946	7.8
87.00890	0.7
89.02444	7.2
92.64622	0.4
92.65239	0.5
95.09039	0.4
95.60783	0.4
96.95999	1.7
99.00861	0.4
99.04506	0.6
101.02432	5.7
109.02954	0.9
109.50834	0.4
113.02406	2.9
115.00384	2.8
119.03495	1.8
121.02950	23.4
122.03239	0.5
123.04552	0.4
123.08187	0.4
129.01875	0.8
143.07132	0.9
153.01974	3.1
155.10806	0.6
163.24892	0.4
167.03534	0.5
172.08978	0.4
213.12852	0.7
214.13640	0.6
215.14378	0.8
217.10909	0.5
229.16008	0.8
231.13858	8.2
237.04123	3.1
243.17595	2.6
253.15964	0.6
255.17625	0.5
271.17072	0.9
273.18646	23.7
303.14624	2.1
317.17477	0.8
335.18369	0.4
361.16620	31.2
369.15634	0.8
427.22964	0.4
541.22968	100.0
542.23419	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76968	0.2
57.03454	0.3
59.01377	0.4
60.99312	17.4
78.93311	0.3
79.51121	0.3
85.02941	0.5
88.98801	100.0
89.02448	4.9
96.95975	1.9
151.02139	0.3
167.03522	0.3
189.11003	0.3
189.32407	0.2
194.21909	0.2
207.32245	0.3
352.89603	0.3
379.17581	0.4
380.12360	0.3
387.71234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27625	0.2
54.82850	0.2
59.01392	2.8
62.76222	0.2
64.64117	0.2
66.19102	0.2
66.95918	1.2
70.66463	0.2
71.01373	1.4
72.76142	0.2
73.02946	0.8
77.93465	0.2
80.79928	0.2
82.95415	100.0
85.02954	0.3
99.82747	0.2
101.02444	1.4
113.02448	0.3
125.13631	0.2
143.03587	0.3
148.05347	0.4
154.65425	0.2
156.08849	0.2
161.04594	0.3
163.07614	0.2
178.93637	0.2
219.11862	0.2
415.19870	3.1
452.23883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	100.0
61.98827	3.0
63.45592	1.5
69.03461	1.9
71.01397	49.6
73.02957	36.0
73.69258	1.8
81.19113	1.8
83.01415	2.4
84.22015	1.8
85.02963	13.1
89.02454	49.2
92.12421	3.2
99.00885	79.2
101.02448	17.4
113.02436	9.2
124.45998	1.6
125.02441	4.0
131.03493	11.4
138.83086	1.9
142.09377	2.0
143.03548	2.4
149.04561	30.5
151.04048	1.9
151.29654	1.9
161.04494	2.8
188.09418	1.8
191.05614	18.0
203.05659	10.7
205.53285	1.9
233.06645	4.4
268.03894	7.1
269.04309	7.8
315.53137	2.2
339.92813	1.9
474.11191	2.1
486.24796	14.4
486.75015	3.6
498.00818	2.2
527.78864	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	543.2583
Annotation	[1R-[1R*,2S*(Z),4S*,6R*,8R*(Z),9S*,10S*(Z),11R*]]-1,6-Dimethyl-9-(1-methylethenyl)-7-oxo-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,8,10-triyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
50.41216	1.3
51.60666	1.1
51.84916	1.2
59.01377	3.5
62.13375	1.2
78.30414	1.4
78.95473	2.8
78.95904	54.9
89.50261	1.6
96.96949	15.8
99.78262	1.7
112.45347	1.6
114.42216	1.5
152.99599	57.5
227.20186	98.2
241.01201	32.5
315.04959	7.9
363.19431	3.4
543.25842	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	543.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25650	1.4
54.82956	1.5
55.01877	1.8
58.00587	1.8
59.01392	60.9
60.84671	1.5
62.68444	1.6
69.03463	1.6
71.01395	30.5
71.91061	1.9
73.02956	29.2
73.24771	1.7
74.15780	1.7
76.57893	2.8
83.01389	7.2
85.02943	9.1
87.00887	2.4
87.67369	1.8
89.02440	9.7
91.65051	1.7
101.02448	22.8
101.91685	1.9
112.29789	1.8
113.02453	10.4
119.03481	2.2
208.27553	1.9
212.27580	2.0
233.37669	1.7
277.21820	15.5
295.22702	12.4
311.71982	1.7
337.13998	2.2
439.27148	9.5
457.28094	28.9
482.83813	2.0
499.29199	100.0
500.29529	3.4
522.10846	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	543.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39742	0.4
55.01878	1.8
57.03442	2.9
58.89512	0.4
59.01384	36.4
71.01379	16.7
72.99299	1.8
73.02940	8.6
74.69228	0.4
74.69875	0.4
75.20617	0.4
81.54800	0.5
83.01376	2.5
85.02944	7.6
87.00860	2.7
89.02421	3.5
91.01012	0.4
95.01381	2.0
97.02967	0.5
99.00875	1.6
101.02446	9.6
113.02441	5.7
113.09709	4.2
119.03505	1.0
121.44547	0.4
124.01658	0.5
125.02488	0.5
147.96552	0.4
167.63463	0.5
170.21269	0.4
179.14459	1.9
181.12308	0.9
195.13849	3.5
222.52339	0.5
235.41071	0.5
251.23795	0.6
277.21744	10.3
279.23322	6.3
294.57367	0.4
295.22787	81.0
439.27072	9.9
457.28134	21.2
457.34732	0.7
499.29166	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	543.297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73312	0.2
54.99946	0.1
58.34161	0.2
59.01385	100.0
78.48567	0.2
116.92861	0.4
140.91862	0.2
148.08276	0.2
159.15312	0.2
171.41272	0.2
264.20123	0.2
451.02518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1307
Annotation	Afrormosin 7-O-(6'-malonylglucoside)
Peak:m/z	Relative Intensity
55.01884	10.9
57.03459	15.2
59.01392	9.5
65.00321	0.7
67.01892	4.8
68.99806	1.7
71.01387	7.7
72.99309	1.7
73.02945	1.4
75.03327	0.6
81.03454	1.3
82.95403	1.3
83.00924	1.0
83.01393	20.7
83.05022	2.9
84.02155	6.2
85.02950	100.0
87.00893	0.8
88.91367	0.8
89.02470	1.1
91.01889	5.6
93.03461	1.6
95.01357	2.8
96.96030	2.7
99.00884	1.4
99.04515	32.2
101.02453	1.8
108.02190	18.0
108.08268	0.8
109.01216	0.6
109.02938	7.5
109.06588	10.3
110.03728	0.9
111.00883	30.0
111.04532	3.0
111.08154	4.7
119.12035	0.7
121.02953	84.7
121.06586	5.7
122.03788	0.7
123.00892	8.1
123.03641	1.4
123.04514	32.9
123.08147	1.6
124.01669	5.6
125.02426	1.1
129.01947	17.4
131.05042	1.5
133.06584	6.0
135.04527	0.8
136.01643	3.2
137.06078	3.5
139.00366	1.2
139.05630	0.8
139.07658	18.4
147.04561	1.0
149.06012	0.9
151.00375	0.9
151.04022	1.6
152.01163	16.5
154.67203	0.8
154.99861	0.8
159.04539	1.1
161.04837	1.0
161.06017	5.8
163.04013	1.6
164.04811	1.2
165.05620	1.0
166.02751	4.7
167.03491	52.1
167.07135	15.7
173.00851	1.3
174.03279	1.0
174.84352	0.8
189.05574	10.9
189.07240	1.2
191.03529	1.6
192.04288	8.7
202.02797	1.4
207.06664	9.0
211.06146	11.7
220.03813	1.0
229.07185	1.6
233.04512	3.3
235.06125	32.2
251.05777	1.1
255.05104	1.7
266.10513	0.8
273.06195	1.0
279.05124	3.2
297.06171	0.9
308.11655	3.4
323.04282	1.3
340.10614	1.7
379.10416	4.2
395.09799	2.6
432.18961	1.4
433.19687	1.4
465.23227	3.7
476.18567	0.9
477.18915	1.8
508.21173	1.4
509.21323	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	545.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15201	1.0
55.01881	6.3
57.03460	9.7
59.01401	8.8
59.26469	1.4
61.21186	1.2
67.01904	2.3
71.01405	8.9
72.99288	2.0
73.02940	1.3
82.95372	1.7
83.01385	14.2
83.05037	1.7
84.02180	8.8
85.02471	1.9
85.02954	52.5
85.85577	1.3
91.01877	8.4
92.65133	1.3
93.03461	2.3
95.05008	1.5
99.00870	1.9
99.04511	45.3
108.02162	10.1
109.02953	2.6
109.06593	15.8
111.00890	26.4
111.04503	5.2
111.08154	2.1
113.06115	1.7
121.02947	100.0
121.06606	6.5
123.00896	1.6
123.04523	39.2
124.01674	1.8
125.02441	1.8
129.01955	12.0
131.05034	2.7
133.06615	11.1
139.07655	19.9
152.01137	13.1
156.64349	1.3
159.04413	1.7
161.06049	10.0
167.03503	77.0
167.07166	20.0
189.05573	8.4
190.02953	1.4
192.04330	1.8
195.67070	1.4
207.06624	2.0
211.06155	11.5
229.07083	1.8
233.04526	2.5
235.06149	9.9
255.05173	1.7
333.09998	1.6
485.23630	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	545.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	28.9
59.01393	6.4
63.02391	0.9
63.33765	0.3
65.00324	0.5
71.01375	1.9
73.02953	0.7
75.00836	0.4
81.03449	1.4
83.01393	0.6
85.02970	1.2
89.02416	0.4
90.81416	0.3
93.03483	0.4
96.95988	2.0
99.04520	12.0
101.02455	4.3
107.01431	0.6
113.02412	0.5
113.86947	0.4
123.04523	0.5
125.02431	9.0
133.02982	2.7
133.03854	0.4
135.04503	0.5
137.02402	0.5
143.03519	0.5
151.00352	0.4
155.04970	0.4
159.04501	0.7
169.06612	0.7
173.04544	0.4
181.06602	2.3
183.04529	0.6
201.05573	1.5
213.05779	0.6
213.07613	1.0
224.04826	1.4
225.05634	1.9
239.03458	0.5
242.17134	0.3
253.05074	2.0
268.03790	6.6
269.04575	100.0
270.04706	1.3
275.07709	5.7
280.29037	0.4
311.05624	1.7
351.01035	0.4
390.29370	0.4
401.08817	4.3
443.10010	2.2
554.56024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44789	0.7
55.01881	10.3
57.03451	9.7
58.54564	0.7
59.01378	10.4
60.38974	0.7
61.01808	0.9
65.00320	1.1
68.77654	0.8
71.01365	3.3
72.99299	1.6
75.00871	1.4
81.03475	0.9
83.01385	24.3
83.05011	1.7
84.02162	6.8
85.02946	46.3
87.00877	1.1
91.01896	16.5
93.03455	4.7
94.04244	1.3
95.05025	1.4
99.04507	44.2
108.02175	22.4
109.02934	4.8
109.06590	20.5
110.03727	1.6
111.00873	38.8
111.04534	6.1
111.08141	5.3
121.02944	58.7
121.06595	8.4
122.03835	0.9
123.00912	1.8
123.04512	52.9
123.08184	1.0
124.01640	3.8
124.05281	1.1
129.01921	10.6
133.06624	4.3
137.06023	1.0
139.07643	28.8
143.05048	1.0
147.04645	0.9
149.06064	1.7
152.01167	31.6
161.06100	3.9
166.02684	1.3
167.03491	100.0
167.07143	14.9
185.45203	0.9
189.05569	4.3
192.04280	5.0
207.06686	2.1
211.06145	13.5
233.04575	1.5
235.06143	13.5
237.03986	1.2
255.05014	4.0
279.05270	1.3
323.04254	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	545.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18116	0.2
52.34838	0.3
59.01382	3.1
59.85725	0.2
61.26363	0.3
61.98206	0.3
71.01379	9.0
85.02964	0.8
85.04071	20.8
88.04038	30.6
89.02417	2.7
92.12358	0.7
96.04543	1.7
97.04066	89.8
98.04416	0.3
99.04546	0.6
101.02435	1.2
113.02477	0.6
115.04018	0.4
119.03539	0.4
125.07193	1.2
128.18954	0.3
129.01932	1.3
130.08740	3.5
131.02827	9.6
131.09059	0.5
135.79678	0.3
145.04108	2.7
157.06187	40.6
161.04489	0.4
161.08173	2.2
169.06187	42.2
179.05598	0.5
202.10876	1.4
203.04985	100.0
233.32568	0.3
268.06168	0.4
341.10876	5.1
393.68591	0.3
399.48972	0.3
489.07907	0.4
504.12881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28717	0.1
51.28958	0.1
59.01397	0.9
71.01382	19.6
77.03968	0.2
85.02924	0.1
87.00886	0.1
87.04503	0.2
88.49197	0.1
89.02443	0.2
101.02412	0.3
115.00369	8.7
117.92330	0.1
121.02951	100.0
122.03267	0.2
125.15593	0.1
165.08401	0.1
169.82480	0.1
184.15363	0.1
214.25331	0.1
237.04068	11.1
290.54883	0.2
415.50424	0.2
456.88449	0.2
545.22272	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.1
55.52655	0.7
57.03455	55.6
59.01385	58.7
67.01876	1.1
68.99573	2.9
71.01380	44.3
72.99288	1.1
73.02950	24.3
81.03465	1.7
82.31031	0.8
83.01388	9.9
85.02946	22.4
85.52389	0.8
87.00883	1.0
89.02431	9.0
92.12412	2.3
93.03456	5.3
95.01356	4.0
97.02943	3.2
99.00862	12.8
99.04524	5.6
101.02434	49.8
106.04268	0.8
111.00873	1.5
112.01629	1.1
112.98576	3.6
113.01715	1.3
113.02444	26.3
116.14014	0.8
119.05015	12.1
123.04513	1.3
125.02408	7.6
129.01979	1.3
131.03503	1.5
133.02930	1.7
136.23254	0.7
143.03484	3.8
143.78065	0.8
147.04530	2.8
151.00380	1.2
159.02985	4.6
161.04561	30.6
161.06046	2.8
163.07555	1.2
173.06079	1.1
175.04079	1.4
177.02029	0.9
188.04707	1.0
189.05646	1.7
201.05505	0.9
217.48662	0.7
221.09819	0.9
233.91818	0.9
251.06956	0.8
253.08664	1.5
267.10193	3.9
269.10318	35.3
295.09671	9.0
307.09561	0.9
311.11267	1.7
325.10873	2.8
339.08835	12.9
356.61633	0.8
358.58371	0.7
369.09711	5.0
383.13324	1.6
401.14551	100.0
443.15622	43.0
483.18671	9.0
501.13940	0.9
545.18787	33.3
570.09375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08046	0.4
54.82825	0.6
55.01889	0.7
55.25283	0.4
57.03447	0.6
58.00607	1.0
59.01388	57.8
60.01679	0.4
60.86104	0.4
62.76777	0.4
71.01385	38.5
72.00919	7.0
72.99305	2.0
73.02931	0.8
74.02473	11.6
77.22662	0.4
83.01430	0.6
83.62072	0.6
85.02959	6.4
87.00860	2.7
89.02449	59.7
91.57066	0.5
92.11709	0.9
95.01380	2.6
101.02446	20.9
102.36925	0.4
113.02445	16.5
116.05067	31.4
117.16489	0.5
119.03494	19.6
130.06618	0.6
131.03493	2.9
142.06630	9.0
143.03491	2.9
149.04512	2.1
159.09262	6.7
161.04568	4.2
167.67770	0.5
179.05615	20.6
186.05562	0.9
191.02089	0.7
203.08293	47.5
204.08673	0.6
341.10922	100.0
342.11240	2.2
342.75381	0.5
356.87100	0.7
399.68823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79178	0.8
55.01888	1.9
59.01384	53.1
71.01382	26.4
72.22896	0.8
72.99306	1.7
73.02946	21.2
83.01380	8.2
85.02948	8.3
87.00869	4.3
89.02438	10.1
92.12408	2.9
101.02433	18.9
113.02438	9.1
119.03477	4.4
125.51223	1.0
132.12335	0.8
176.64656	1.1
183.13991	3.6
251.84810	0.9
279.23291	19.3
297.24350	4.5
350.87247	0.9
386.69278	1.0
441.28555	10.5
459.29739	19.0
501.30731	100.0
554.81403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.4
55.76111	0.6
57.03449	1.3
58.00594	0.7
59.01390	47.3
59.01694	1.5
62.62311	0.7
69.03458	0.7
71.01381	24.2
72.22500	0.7
72.99307	1.4
73.02946	7.3
75.25256	0.7
78.95869	0.7
83.01392	4.3
84.71609	0.6
85.02942	12.3
87.00864	5.9
89.02451	10.7
95.01382	2.8
99.00866	2.8
101.02441	16.8
113.02441	9.4
119.03503	4.4
124.01627	1.0
125.02459	0.8
127.11273	1.0
129.01894	0.9
135.43016	0.7
163.46992	0.7
171.10251	6.0
227.20267	0.7
279.23325	20.6
281.24982	6.1
297.24374	30.4
314.61316	0.8
335.08078	0.7
441.28729	20.7
459.24063	1.2
459.29691	42.7
501.30771	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	545.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28610	0.4
61.81414	0.3
61.98835	100.0
72.90816	0.3
101.47803	0.5
116.92886	2.5
118.17761	0.4
122.37520	0.4
192.34682	0.5
259.50333	0.5
266.29410	0.4
270.70380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61849	0.1
54.83045	0.1
57.03452	0.6
59.01389	1.5
64.30807	0.1
64.90814	0.1
71.01382	0.3
72.58878	0.1
75.84689	0.1
79.95736	1.3
87.51590	0.1
89.02402	0.1
96.96003	100.0
99.04520	0.2
101.02414	0.1
125.02428	2.3
149.02449	0.3
150.94759	0.1
151.00369	0.8
152.01134	0.2
153.02022	0.2
178.99959	0.2
190.02652	0.3
205.05034	0.6
223.06172	0.2
259.06122	1.8
269.04483	1.5
287.05682	0.8
403.16272	0.8
445.17398	0.3
449.10889	2.5
451.48523	0.2
547.18341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02732	0.4
54.82923	0.4
59.01387	53.1
60.99289	0.7
64.34858	0.4
67.42183	0.4
71.01369	1.0
73.02930	0.7
74.22384	0.4
75.37878	0.6
75.77108	0.4
80.57175	0.4
85.02959	0.8
86.47730	0.5
87.45359	0.5
88.98779	5.0
89.02424	0.6
97.05922	0.4
97.53233	0.5
101.02418	1.9
118.66024	0.4
132.02162	2.2
135.44516	0.5
155.05031	3.2
179.10851	0.5
183.04524	6.8
187.04050	0.8
195.04492	4.1
195.66902	0.6
196.05211	4.0
209.57593	0.4
211.04042	14.3
212.09419	0.5
223.04016	10.1
224.04793	1.8
238.02708	1.9
239.03503	58.9
240.04292	40.7
240.06770	0.8
241.04825	0.7
267.03009	47.5
268.03781	100.0
269.04297	2.3
280.44690	0.5
281.04462	0.6
282.05350	99.6
283.06128	82.3
284.03317	2.0
284.06458	1.1
293.04538	0.8
299.05518	0.9
325.07166	1.7
325.12949	0.8
385.14996	1.1
487.12509	94.0
488.12811	4.1
502.73868	0.5
503.25204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09265	0.8
57.03443	4.0
59.01107	1.6
59.01389	38.5
60.58589	0.7
66.32270	0.8
71.01376	6.9
72.99316	0.8
81.03451	3.4
81.06773	0.8
81.22684	0.8
83.01392	4.8
85.02951	3.9
85.04060	1.5
87.70554	0.8
88.04050	1.2
88.98814	0.9
89.02422	3.1
92.11760	1.1
96.96023	5.0
99.04530	1.2
101.02412	1.0
102.00220	1.4
107.01466	0.9
108.04568	4.3
123.04523	39.5
124.04043	1.2
125.02425	13.8
126.05662	1.0
132.02167	1.5
151.00354	1.4
151.05116	11.2
157.06203	1.8
167.03505	91.3
169.06178	8.8
174.02338	1.8
182.53352	0.8
183.04527	7.2
191.03444	0.9
195.04509	5.3
196.05331	3.3
211.04030	13.7
215.76068	0.9
223.04012	8.4
224.04768	1.2
238.02695	1.4
239.03503	43.0
240.04329	22.9
241.04723	1.6
250.53883	0.9
253.05089	26.7
254.05446	16.3
255.03094	2.1
264.32791	0.9
266.02121	1.1
267.03033	40.3
267.05930	2.4
268.03784	64.9
269.04349	13.6
281.04364	1.0
282.05365	100.0
283.03043	2.5
283.06137	76.2
284.06586	5.6
285.07382	1.6
293.04501	1.3
319.06000	7.9
325.07092	1.6
341.08795	1.8
400.25067	0.9
487.12527	78.2
488.12875	1.4
503.14026	19.4
504.14444	1.0
547.19305	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	547.178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18420	1.8
54.27090	2.0
58.81644	2.0
59.01387	2.6
59.80606	1.7
61.98835	4.1
73.02946	2.2
75.19583	2.0
78.95912	72.6
83.97277	2.1
89.17037	2.3
92.65295	2.1
99.92590	21.1
100.93349	2.4
110.98547	14.0
112.70904	2.1
115.92083	19.7
116.92888	19.0
123.44248	2.3
125.28473	1.9
164.99582	4.6
167.01161	3.1
178.88481	3.4
179.89223	20.4
180.89986	20.4
181.90834	9.9
193.90825	39.1
194.91568	11.6
196.89502	100.0
197.54758	2.3
210.91068	10.2
249.93410	3.1
279.23331	10.4
417.57489	2.1
529.16571	12.7
543.14777	4.1
547.17755	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2193
Annotation	[3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 5,10-diacetate 6-benzoate
Peak:m/z	Relative Intensity
55.01889	0.8
57.03448	1.2
59.01388	20.4
71.01387	9.8
72.99297	0.5
73.02933	0.6
80.77260	0.3
83.01389	1.4
83.05030	0.5
85.02945	4.9
87.00871	0.5
89.02443	6.8
90.64284	0.3
92.12414	1.0
93.03437	0.5
95.01382	1.2
96.96000	0.6
99.00850	0.8
99.04522	0.8
101.02441	6.4
107.29095	0.3
108.02181	0.4
109.02976	3.3
111.04539	1.8
113.02454	2.4
119.03477	1.6
121.02950	100.0
122.03262	0.6
123.04520	0.6
129.01987	0.5
129.07123	0.7
133.06615	0.3
137.09784	0.5
167.03529	0.6
169.10229	0.6
173.09686	0.4
189.12891	4.5
201.12897	1.6
215.10808	2.1
219.13867	1.3
255.03015	0.4
283.02438	0.7
298.04590	0.4
425.18179	6.2
517.21997	2.2
517.72015	0.6
541.69421	0.3
547.21930	66.1
548.22406	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
57.03462	8.0
57.80553	0.8
58.86736	0.7
59.01390	55.6
59.86214	0.8
71.01380	21.5
71.05025	12.1
72.99286	1.1
73.02943	19.1
73.86817	0.9
82.95415	1.1
83.01392	6.8
85.02970	7.6
87.00879	1.5
87.04503	5.4
87.79062	1.0
89.02447	6.5
93.03411	1.1
95.50241	1.1
99.00906	1.2
99.04509	33.7
101.02429	14.3
101.06056	1.0
101.09820	0.8
107.39855	1.0
111.00884	1.3
113.02429	5.8
115.04004	12.4
115.07659	1.8
117.05582	19.1
129.01855	1.1
137.02371	1.2
137.09682	4.0
143.03458	1.0
145.07710	3.8
151.11316	1.2
157.94380	1.0
161.08197	100.0
163.07684	2.0
165.12943	1.2
179.10777	1.9
181.08690	5.3
188.08328	2.0
197.11858	5.4
213.20531	1.0
214.09929	1.9
219.17598	1.1
223.09801	5.0
241.10760	4.9
254.11794	0.9
263.16580	4.8
264.29807	1.0
268.88580	1.1
281.17657	6.5
299.18436	1.2
304.12912	1.4
322.14136	4.6
325.13022	3.9
367.11337	1.1
381.13559	1.0
385.15057	16.5
394.37701	1.0
419.49603	1.1
449.28531	0.9
461.23788	3.8
503.25031	53.2
547.17529	7.1
553.98834	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42085	1.7
58.02977	2.2
60.31146	1.5
61.98841	13.5
72.00893	8.6
74.02463	3.6
93.03428	9.6
101.07231	3.7
106.04150	1.7
109.04063	3.1
116.92863	2.9
119.05001	32.1
124.03911	2.0
127.05116	30.7
128.03532	80.9
134.06158	1.8
134.89474	3.7
136.89130	2.4
163.04013	29.1
170.05482	1.9
180.06662	100.0
221.12953	2.7
247.10872	3.7
254.24913	2.4
255.23303	2.1
265.11813	2.1
273.08920	2.5
291.09940	11.2
321.29230	2.7
366.26590	13.8
529.32892	28.6
547.34033	58.3
548.34454	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	549.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81317	0.6
55.01892	5.0
57.03196	1.2
57.03458	24.9
58.20135	0.6
59.01101	1.2
59.01383	21.3
67.01887	0.7
68.99803	1.0
69.19473	0.6
71.01388	14.1
72.99282	4.0
73.02937	4.7
77.03970	0.7
81.03451	3.0
83.01395	10.6
83.23532	0.7
83.28515	0.6
84.02168	1.4
85.02955	100.0
87.00880	2.7
89.02448	7.3
91.01900	0.9
93.03432	1.2
95.05018	1.1
96.96010	3.7
97.02928	0.9
99.00877	3.9
99.04488	0.9
101.02441	6.9
105.03474	9.2
108.02180	1.0
109.02948	3.1
111.00877	16.8
113.02459	4.8
115.07630	4.4
116.07960	0.8
117.03421	1.7
119.03478	1.0
119.05004	1.7
121.02956	19.5
123.00861	1.5
123.04506	4.5
124.01617	0.8
129.00993	1.4
129.01927	32.9
129.49419	0.7
130.04240	0.8
133.02953	37.5
134.03729	6.0
135.04533	6.7
137.02432	8.2
138.03261	2.9
139.00339	2.5
139.04047	1.7
143.21280	0.8
145.02936	4.2
147.02980	11.2
147.04164	0.9
149.02454	0.8
151.04012	1.0
153.05594	14.5
154.99849	1.2
155.03430	1.1
159.06630	3.9
161.02444	2.9
161.04552	0.9
163.03999	4.2
163.11320	4.7
166.64499	0.7
166.99854	1.4
167.03484	3.7
172.82301	0.8
173.00917	11.7
175.04001	1.6
177.01944	11.1
179.03497	1.5
181.01408	3.8
182.02248	4.1
191.01974	4.7
193.05083	3.1
197.04570	21.6
207.03087	1.3
210.55728	0.8
219.06610	0.8
221.06648	1.3
222.05304	1.5
237.07780	0.9
253.05060	0.8
265.07220	6.4
301.07236	3.5
325.05948	0.8
327.07257	11.2
351.03464	2.7
371.06262	3.9
381.04767	0.9
387.16669	1.6
388.16928	1.2
489.15567	1.3
497.38492	0.7
549.21954	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	549.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57421	0.5
54.97750	0.5
55.01888	4.1
55.02119	0.6
57.03196	0.8
57.03467	20.3
58.00578	0.5
59.01401	6.0
61.13803	0.5
63.34818	0.5
64.61220	0.5
66.67534	0.5
67.01894	0.9
68.99822	0.8
71.01398	7.7
72.99316	1.4
73.02945	1.3
76.52354	0.6
77.03953	0.7
81.03451	1.1
83.01392	8.5
84.02165	1.1
85.02962	100.0
87.00893	1.2
88.98822	0.7
89.02410	0.8
91.05424	0.6
93.03465	1.0
95.05016	3.0
99.00883	2.8
101.02441	2.8
105.03471	11.2
109.02934	1.3
111.00882	16.8
113.02423	1.0
117.03440	1.1
120.99294	0.6
121.02951	13.5
122.00103	0.8
123.00851	1.4
123.04498	2.9
124.01673	0.7
127.00368	0.9
129.01949	30.2
133.02956	40.7
134.03755	6.5
135.04533	3.3
137.02444	7.8
138.03246	4.6
139.00357	2.7
139.04010	3.3
145.02931	0.6
147.02988	8.9
149.02467	1.3
153.05574	11.8
155.03490	1.2
160.01642	0.9
161.02440	2.3
163.03984	1.3
166.99809	1.0
173.00940	11.3
173.05949	0.7
175.04001	2.3
177.01938	11.0
178.02748	0.7
179.03508	1.3
181.01378	5.8
182.02202	3.5
189.05528	0.7
191.01965	4.6
191.03493	0.7
193.05099	2.7
197.04591	18.3
201.05550	0.7
211.06064	1.0
212.48946	0.6
222.05360	1.4
233.65076	0.6
237.07640	1.1
265.07156	7.2
307.05014	0.6
325.05484	0.9
325.96942	0.6
327.07257	14.0
351.03400	2.4
353.05051	0.7
371.06104	3.3
504.51334	0.8
504.59308	0.6
549.22015	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	549.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38647	0.1
59.01392	0.3
62.07742	0.1
71.01379	0.3
73.40847	0.1
75.00853	0.2
77.03963	1.7
85.02950	0.3
89.02486	0.1
91.29665	0.2
93.03405	0.2
93.74940	0.2
96.99302	0.6
99.00842	0.2
111.00878	0.3
121.02953	100.0
122.03293	1.4
165.01935	32.0
166.02327	0.3
177.01173	0.2
180.05836	0.4
181.06587	3.3
197.06073	3.0
207.04544	0.8
207.08051	0.2
223.03976	0.2
225.05571	2.0
251.07045	0.2
257.09738	0.4
285.09180	0.2
313.07220	0.9
357.06152	0.7
368.19989	0.2
373.10565	0.2
383.07660	0.3
400.07333	0.2
417.09775	1.9
505.11600	1.4
519.25336	2.1
519.75348	0.9
549.10468	26.0
550.10590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03447	1.4
59.01387	3.2
63.02399	4.1
65.00326	8.8
71.01372	1.7
71.09235	0.3
72.53456	0.4
73.02946	0.7
81.03467	0.3
83.01387	9.1
85.02955	5.1
89.02448	0.5
92.11674	0.9
93.03459	0.6
96.68195	0.3
96.96001	2.6
99.00889	0.5
107.01389	20.1
108.02164	3.5
109.02952	0.6
111.00922	0.5
112.08723	0.4
116.92860	2.5
121.02911	1.7
123.00882	0.4
123.04462	1.4
125.02451	3.4
129.01950	1.3
133.02986	0.7
134.03732	22.0
135.04491	1.8
136.01634	3.3
137.02415	2.3
149.02458	0.4
149.06087	13.7
151.00371	51.2
152.00914	0.7
157.23265	0.3
158.03687	0.4
160.01645	2.1
164.01161	9.4
165.01942	5.6
166.65616	0.4
169.01395	4.0
173.06102	0.3
174.03235	1.5
175.03995	2.6
177.01927	4.9
193.01482	0.6
193.05049	0.8
196.00139	5.2
197.04488	0.6
199.04094	1.9
200.04813	0.5
201.02010	1.7
213.05782	0.4
214.06438	0.5
215.03447	0.5
215.07237	0.7
241.05032	1.3
242.05800	1.5
243.06635	1.2
251.03636	0.4
253.05157	0.4
257.08267	2.2
258.05338	0.5
259.06116	0.4
268.03888	0.5
269.04453	0.6
285.04068	1.7
286.04855	3.0
301.07208	100.0
302.07553	1.3
340.43466	0.3
355.06793	2.0
463.12494	0.6
485.39658	0.5
505.06079	0.5
505.13565	13.8
549.29346	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31483	0.5
51.61127	0.4
56.68892	0.5
57.03467	1.8
59.01389	36.8
60.99314	20.6
67.58601	0.5
71.01385	15.7
72.99309	1.0
73.02946	25.1
78.31313	0.5
83.01393	6.7
85.02953	2.8
88.98804	100.0
89.02447	6.0
95.01342	0.7
97.18894	0.6
99.00850	0.6
99.04518	0.8
101.01772	0.8
101.02438	23.9
113.02450	5.1
118.47806	0.5
119.03496	1.2
125.02472	1.2
126.90412	0.6
131.03500	0.6
143.03564	1.2
149.04565	2.5
161.04590	6.2
193.12367	2.9
311.98062	0.5
355.17569	0.7
373.18784	4.4
415.19809	52.7
416.20004	0.9
445.24301	0.7
463.25461	3.8
505.26587	15.4
511.95221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70882	0.3
53.91965	0.4
55.01875	3.0
57.03231	0.4
57.03461	8.1
59.01388	60.7
68.99841	0.5
69.03458	0.4
71.01383	26.5
72.99300	1.1
73.02946	8.3
75.00851	0.5
77.34067	0.4
81.03439	0.8
81.19270	0.4
83.01385	6.4
85.02952	33.6
86.03290	0.6
87.00890	4.6
89.02442	20.7
93.03475	0.5
95.01364	2.0
95.05016	0.7
96.95974	0.8
99.00874	3.1
101.02440	22.1
105.03456	2.2
109.02946	0.8
111.00872	5.4
113.02450	11.7
116.92863	1.0
119.03487	7.9
121.02943	6.1
123.00860	0.6
123.04546	0.6
125.02446	1.9
129.01942	9.2
129.76608	0.4
130.08690	0.6
131.03500	5.5
133.02953	10.4
134.03717	0.6
135.04514	1.1
137.02425	2.2
138.03241	0.8
139.00403	0.5
139.03969	0.7
147.03029	1.9
153.05574	4.9
159.03059	0.9
161.02487	0.7
161.04556	7.3
162.95988	0.4
163.04082	0.5
163.11266	4.4
173.00902	3.7
175.04012	0.5
177.01958	3.0
179.05643	2.3
181.01479	0.7
182.02234	0.5
197.04578	8.2
207.10341	4.1
221.06696	7.8
224.22859	0.5
265.07272	0.6
301.07147	0.6
327.07242	2.8
383.21149	0.5
387.16449	1.0
505.19135	2.9
549.21979	100.0
550.22473	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	549.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47791	0.4
52.43034	0.4
53.13786	0.4
54.37167	0.4
55.01891	0.8
57.03466	4.0
57.70669	0.4
58.00591	0.6
59.01395	39.5
61.98849	0.4
63.02405	0.6
63.81721	0.4
65.00323	2.3
69.03452	0.5
71.01394	13.8
72.99311	6.6
73.02954	6.3
75.00887	2.4
81.03474	0.4
83.01395	6.0
83.05029	3.5
85.02958	8.4
86.00083	1.0
87.00880	2.4
88.98820	1.0
89.02450	3.0
93.03511	0.6
95.01371	1.0
96.96011	5.9
97.02992	0.5
99.00869	1.1
99.04540	0.9
99.05529	0.5
101.02443	10.2
102.64567	0.4
106.98384	0.4
107.01411	4.3
108.02191	3.3
111.00852	1.0
111.04489	2.6
113.02445	4.5
116.54403	0.5
119.05030	1.8
121.02966	0.8
123.04507	1.8
125.02433	1.9
129.01929	0.5
134.03738	5.8
137.09766	0.5
149.06082	3.1
151.00395	9.8
152.01172	1.0
161.04631	0.7
167.03564	1.0
169.01427	0.8
177.01984	2.1
196.00188	0.6
234.21794	0.5
237.18651	0.8
265.18158	2.4
283.19165	2.7
283.27771	0.5
286.04880	0.8
301.03784	0.7
301.07202	21.4
301.20264	4.8
302.07602	0.8
321.00522	0.9
343.21228	0.7
379.44263	0.6
417.25217	0.6
445.24350	5.1
463.25568	21.0
489.19684	1.0
489.26941	0.5
505.14063	2.7
505.26630	100.0
506.26807	1.1
549.28790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31454	10.4
59.01390	29.7
61.98862	11.4
62.68831	11.1
71.01370	18.1
74.26656	12.7
74.47523	13.0
78.42529	13.8
78.95907	57.9
79.51331	13.7
86.08572	12.3
96.99303	21.8
97.31557	12.9
99.01775	14.2
111.00872	16.2
146.08003	14.1
147.79318	14.5
257.38474	15.2
374.68896	15.0
428.17041	14.0
519.25165	100.0
519.75519	31.5
540.25830	23.0
540.75970	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	549.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83036	0.1
57.03436	0.1
59.01390	0.2
66.09975	0.1
78.95905	0.2
79.95751	1.3
85.02960	0.4
92.11776	0.2
96.96008	100.0
114.66775	0.1
129.01979	0.1
136.44046	0.1
142.53049	0.1
246.06723	0.1
376.96298	0.1
439.81241	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	551.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82242	0.4
55.01891	7.5
57.03200	0.7
57.03457	16.5
57.90180	0.4
59.01384	12.9
65.00328	2.0
65.64880	0.5
67.01884	1.0
70.09857	0.4
71.01379	2.1
71.05007	3.8
72.99292	2.1
73.02926	0.6
81.03456	13.6
83.01385	19.6
84.02158	2.9
85.02949	70.4
91.01884	14.8
92.12473	1.2
93.03455	2.1
95.01347	0.6
96.96011	0.6
97.02962	0.7
99.00881	1.0
99.04513	13.8
101.02451	1.1
108.02174	19.9
108.39953	0.4
109.02972	0.6
111.00877	37.3
111.01656	1.2
121.02934	2.4
123.00861	3.8
123.04513	50.6
124.01659	3.9
125.02429	0.8
127.04012	14.2
129.01938	25.2
133.02959	1.0
135.04446	0.5
135.87967	0.5
136.01727	0.6
137.02444	2.9
147.02998	2.2
151.99931	1.1
152.01160	32.2
153.05482	0.5
159.17235	0.5
163.03983	0.8
164.04794	0.5
166.02666	1.0
167.03494	100.0
171.03006	8.7
173.00859	1.0
174.03210	0.5
175.04034	0.5
176.04706	0.5
182.02385	0.6
189.03990	0.8
189.05681	0.5
191.01994	2.6
192.04271	3.1
197.00999	0.9
197.04556	0.8
207.06625	3.4
215.01981	3.5
219.30243	0.4
233.03040	1.0
235.06129	12.2
279.05103	0.7
297.06012	1.1
307.14035	0.5
313.32318	0.5
323.04181	1.0
339.07401	1.0
341.05151	2.4
367.34473	0.6
383.16107	0.5
388.44290	0.5
401.07254	2.2
560.80383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63953	0.5
54.07374	0.5
55.01892	5.7
57.03462	18.7
59.01397	8.6
65.00328	1.2
67.01898	3.0
69.03455	0.9
71.01385	3.9
71.05025	0.9
72.99310	1.0
73.02951	0.5
81.03460	6.4
83.01398	12.9
84.02181	2.2
85.02959	100.0
86.03281	0.6
87.00831	0.7
89.02446	0.9
91.01895	8.9
95.01377	1.0
96.96043	0.6
97.02936	0.7
99.04517	8.8
100.47366	0.6
104.62498	0.6
105.03440	0.8
108.02180	12.8
109.02948	2.0
111.00877	22.5
121.02967	1.2
123.00889	6.6
123.04523	33.2
124.01662	4.1
125.02425	1.1
127.04000	14.2
129.01939	23.1
133.02951	4.4
136.01712	0.7
138.03337	0.6
147.03041	4.1
152.01158	15.5
160.92348	0.5
163.03984	1.3
164.04822	0.6
166.02736	3.3
167.03499	68.1
171.02956	5.7
173.00911	1.4
174.03246	1.2
175.03999	0.6
177.01974	1.2
191.02010	3.2
192.04324	4.9
197.01038	0.6
200.79079	0.5
202.02658	1.0
207.06596	6.1
215.02013	3.6
220.03748	0.7
235.06128	20.7
279.05157	2.3
287.46262	0.7
297.06097	1.3
341.05191	2.8
350.61942	0.6
401.07315	0.9
551.23383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	8.8
57.03453	23.5
59.01100	1.5
59.01386	31.2
65.65473	1.0
65.89024	1.0
67.01889	1.9
68.99761	0.9
71.01384	8.9
72.99319	1.2
73.02941	2.6
81.03443	2.6
83.01385	35.9
84.02164	1.2
85.02952	100.0
89.02441	2.2
89.84551	0.9
91.01883	7.0
93.03445	24.0
95.01366	2.0
96.96011	1.9
98.95561	1.2
99.04494	4.6
101.02438	5.5
108.02193	15.6
111.00883	82.7
113.02436	2.4
115.92028	0.9
116.92825	1.5
119.05042	1.6
121.02943	7.7
123.00901	8.2
123.04520	35.8
124.01620	5.4
125.02443	2.1
127.04001	10.8
129.01941	35.0
133.02948	6.2
136.01617	1.3
137.02449	6.6
147.02994	2.6
150.03175	1.3
151.00406	1.3
151.03949	1.5
152.01152	29.1
154.99843	4.7
163.03998	1.7
165.01947	5.6
167.03497	75.2
167.51721	1.1
171.02992	6.2
173.00917	5.4
182.02220	1.4
191.01952	1.8
192.04277	4.4
197.04593	2.1
207.03032	1.1
207.06662	10.4
220.03769	1.6
233.03069	1.7
235.06116	15.7
257.04480	1.3
279.05148	2.5
297.06119	1.8
303.05551	1.3
341.05240	2.4
352.20007	1.1
401.07758	1.3
407.19287	1.3
447.26233	3.9
449.20276	1.3
450.29022	1.1
515.25415	1.5
518.70453	1.3
551.24359	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	551.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.4
56.28890	0.4
57.03194	0.8
57.03456	19.5
58.02995	0.5
59.01115	0.9
59.01390	20.3
65.00333	0.9
66.32407	0.5
67.01889	0.6
71.01374	6.0
71.05022	2.3
72.99313	0.6
73.02936	2.0
74.02472	2.9
75.48229	0.5
76.26942	0.5
81.03461	9.5
83.01398	13.7
83.37528	0.5
83.95395	0.5
84.02157	4.1
85.02952	97.8
87.00851	0.5
89.02446	0.6
91.01892	16.6
95.01350	0.9
96.96004	2.1
97.02940	0.8
97.83202	0.5
98.02499	0.5
99.04514	13.0
101.02428	2.3
108.02178	19.0
109.02951	2.5
111.00159	1.1
111.00886	28.4
113.02455	0.6
123.00897	4.5
123.04520	47.4
124.01661	3.2
125.02431	1.2
127.04010	26.7
129.01941	20.3
133.02959	0.7
135.04416	0.6
137.02486	0.7
145.02930	0.5
147.03006	5.6
147.04080	0.5
147.99335	0.6
150.03255	0.7
151.03918	0.6
152.01157	23.5
154.99879	1.0
164.04774	0.6
166.02728	2.9
167.03496	100.0
171.02998	10.1
173.00902	0.8
191.02040	1.3
192.04315	2.6
203.08339	2.2
207.06654	5.0
215.02011	1.0
233.03116	0.8
235.06134	15.6
245.09386	2.8
261.08167	1.2
279.05087	0.8
297.06216	3.7
303.08795	0.9
309.95663	0.6
339.07388	2.2
341.05142	2.0
390.48434	0.6
401.07336	0.9
447.26083	0.8
465.26953	0.7
510.07898	0.6
565.92328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96060	0.6
52.23425	0.6
55.01888	2.9
57.03449	3.8
59.01391	54.2
59.01692	1.7
69.03460	0.7
71.01389	16.7
72.99309	1.8
73.02965	7.5
75.00874	1.0
83.01392	5.0
85.02966	16.1
86.00117	1.0
87.00891	1.5
89.02466	1.3
99.00871	4.1
99.04495	1.1
101.02440	13.5
104.23188	0.7
108.02215	1.2
111.00832	1.0
113.02454	5.2
114.73567	0.8
124.96748	0.9
125.02357	0.9
129.33649	0.8
132.78532	0.7
137.55598	0.7
143.03477	0.9
150.03256	0.9
161.08264	0.9
165.05481	0.9
167.03465	1.8
202.03987	0.9
257.21210	4.7
285.20648	1.9
303.21811	3.9
347.14880	1.3
419.26456	1.2
429.24991	1.1
447.26071	9.1
465.27087	19.2
507.28122	100.0
508.28647	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44783	0.3
55.01884	1.8
57.03465	2.5
59.01392	41.7
61.73068	0.4
61.98825	0.3
66.80251	0.3
71.01044	0.6
71.01395	11.7
72.99311	0.8
73.02960	6.1
75.00877	3.1
81.03473	0.4
83.01405	4.4
85.02963	9.1
86.00098	0.7
87.00877	2.3
89.02450	1.7
93.03442	0.4
95.01396	0.6
96.16214	0.4
97.02959	0.6
99.00878	2.1
99.04540	0.7
101.02454	11.3
111.00901	1.6
113.02457	4.2
121.02927	0.4
122.75094	0.5
123.04506	0.4
125.02482	0.6
161.04549	1.5
162.45976	0.3
168.34494	0.4
197.15480	0.4
199.17062	0.7
239.20128	0.5
257.21274	3.8
285.20648	2.2
303.21783	6.7
345.22858	0.6
419.26508	1.8
447.26147	6.2
448.25702	0.4
465.27112	23.6
466.27545	0.7
507.28159	100.0
508.28479	2.2
551.30664	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	552.204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03185	0.4
51.66489	0.4
61.98821	0.8
62.96424	0.8
78.95902	100.0
92.11781	0.7
96.96014	2.8
96.96954	4.7
98.95592	1.0
99.92583	15.0
100.93396	0.9
114.94933	9.3
115.92071	17.3
116.92847	5.7
119.98581	1.1
125.92898	0.8
127.87078	0.5
134.98518	1.6
137.99620	1.0
140.01218	0.9
141.96014	10.9
150.98047	3.2
152.99593	49.4
154.80072	0.5
163.89760	2.2
171.00632	0.7
178.88478	2.2
179.89232	18.5
180.90021	9.3
181.90784	9.0
192.00693	2.1
194.02260	2.8
196.89499	42.2
204.92442	2.6
205.93173	3.3
218.91699	0.7
219.92159	0.8
222.93346	3.6
235.91853	7.0
236.92610	2.1
255.23334	27.8
256.23651	0.5
277.95297	1.0
326.71796	0.5
366.82425	0.5
371.15265	0.7
377.27188	0.5
409.23721	6.8
411.18277	1.9
435.12451	2.4
437.23477	0.5
446.31396	0.5
450.26199	1.8
452.27527	0.5
471.12927	0.5
475.15503	4.6
492.15720	5.5
509.16159	2.3
516.18359	13.0
534.19373	8.0
552.20404	49.8
553.20532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2043
Annotation	Carbazomarine A
Peak:m/z	Relative Intensity
50.00478	1.2
51.07626	1.1
54.82890	1.0
59.01385	1.6
59.18802	1.1
60.21876	1.2
61.24755	1.5
61.98817	6.5
72.16125	1.4
78.95900	100.0
86.01157	1.3
96.95992	3.6
96.96947	7.2
98.95555	2.0
99.92564	13.7
104.74328	1.5
105.45995	1.8
113.33997	1.5
114.48318	2.1
114.94885	7.0
115.92065	16.9
116.92879	10.6
140.36203	1.6
141.95985	14.8
150.98058	3.4
152.99590	65.5
179.89211	29.1
180.90039	11.3
181.90771	7.6
192.00723	2.4
194.02315	2.2
196.89485	45.1
205.93199	3.4
223.94276	2.1
235.91830	9.4
236.92555	1.7
255.23268	43.0
256.23727	2.1
269.04880	2.2
277.95203	6.2
409.23462	2.8
424.50299	1.8
428.61609	1.6
475.15616	2.5
492.15610	9.5
516.18207	9.7
534.18945	6.4
552.20331	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	552.287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52863	0.2
51.52385	0.2
54.82932	0.2
59.01379	1.3
61.98833	0.3
71.01363	0.2
72.67347	0.2
78.46212	0.2
78.95901	8.9
91.22838	0.2
91.51271	0.2
107.05117	0.2
114.39572	0.3
136.23796	0.2
152.99579	1.4
168.04308	2.3
171.00629	0.4
224.06900	1.2
233.22824	0.5
237.18169	0.2
242.08104	2.7
259.20599	0.4
277.21756	100.0
278.22025	1.6
476.28116	0.9
502.29477	35.4
503.30038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17984	0.2
55.45824	0.2
57.60384	0.2
59.01384	1.8
61.12489	0.2
61.98834	0.4
71.01410	0.2
78.95903	27.5
83.05021	0.3
87.57823	0.3
92.12374	0.6
96.96980	0.3
112.99455	0.3
117.69292	0.3
128.03607	0.3
134.54112	0.2
152.99586	4.4
168.04305	4.9
188.58821	0.3
224.06955	9.7
233.22623	0.3
242.08020	2.1
253.21783	2.3
259.20676	0.4
269.04697	0.3
275.20346	0.3
277.21750	100.0
278.21997	1.7
443.63974	0.3
478.29193	0.3
502.29480	66.3
503.29846	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	552.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02101	0.1
53.60802	0.1
54.37342	0.2
55.95457	0.2
59.01388	21.6
61.98823	0.2
62.96399	0.2
63.42456	0.2
78.95901	23.2
81.88878	0.2
96.96942	0.7
100.88494	0.2
112.11195	0.2
115.29979	0.2
115.92066	1.1
116.92850	0.8
122.98582	0.3
134.98573	0.2
149.60204	0.2
152.99580	3.0
159.21819	0.2
168.04323	2.8
171.00645	0.3
179.89291	0.9
196.89513	1.2
224.06952	7.4
242.07968	2.0
253.21744	100.0
254.21986	1.7
269.04507	0.8
277.10452	0.2
379.95685	0.2
418.10733	0.2
478.29449	46.9
479.29855	1.8
518.86169	0.2
552.20331	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	553.0757
Annotation	Moghatin
Peak:m/z	Relative Intensity
59.01159	0.1
59.01389	1.8
63.02393	1.0
64.34848	0.1
65.00320	0.7
67.07185	0.1
71.01358	0.5
73.02923	0.1
77.46832	0.1
85.02943	0.4
89.00304	0.2
91.01889	0.4
101.02436	0.2
107.01377	1.0
121.02985	0.1
123.04565	0.1
132.02185	0.2
133.02951	3.0
134.74130	0.1
135.00859	0.5
135.04535	0.4
149.36919	0.1
151.00368	0.2
155.04996	0.4
157.02939	0.5
159.04504	1.5
161.02411	0.2
169.06581	0.6
180.05775	0.8
181.06641	1.7
183.04471	1.1
195.04498	0.1
196.05287	0.4
197.06075	0.6
199.04071	0.2
201.05574	1.3
209.06123	0.2
213.05553	0.5
224.04846	1.2
225.05602	1.0
227.03503	0.4
240.04318	0.2
241.05185	0.4
253.05078	0.4
257.38742	0.1
268.03809	1.6
269.04587	100.0
270.04898	1.6
291.06610	0.2
305.23404	0.3
311.05676	0.4
335.05814	0.2
379.71255	0.1
413.08640	0.2
449.27872	0.8
467.29095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0758
Annotation	Moghatin
Peak:m/z	Relative Intensity
51.19332	0.1
54.83076	0.1
58.34359	0.1
59.01384	0.2
63.02397	0.5
65.00320	0.6
66.82795	0.1
68.99828	0.2
73.02930	0.1
87.40873	0.1
89.00359	0.1
91.01881	0.6
92.66344	0.1
93.91916	0.1
96.92689	0.1
105.37946	0.1
107.01378	0.8
109.16683	0.1
117.03453	0.1
132.02132	0.3
133.02940	2.8
135.00858	0.4
135.04520	0.5
151.00369	0.2
157.02942	0.6
157.06581	0.2
159.04492	1.2
169.06560	0.3
171.04573	0.1
180.05759	0.9
181.06570	1.6
182.98111	0.1
183.04495	0.7
186.08488	0.1
195.04495	0.2
196.05334	0.6
197.06102	1.2
201.05515	1.3
209.06119	0.7
211.04047	0.1
213.05608	0.3
223.04147	0.2
224.04807	1.1
225.05589	1.2
227.03661	0.1
239.03432	0.2
240.04312	0.2
253.05084	1.6
265.05063	0.5
267.03015	0.5
268.03796	6.7
269.04562	100.0
270.04831	1.3
271.06207	0.2
275.40283	0.1
281.04788	0.1
282.05362	0.2
283.06152	0.7
291.06659	0.7
311.05637	6.8
311.09256	0.3
335.05743	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	553.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96358	0.9
54.92719	1.0
55.01874	6.5
57.03199	1.5
57.03456	27.5
59.01156	1.0
59.01387	18.0
61.98820	1.7
62.10990	0.9
65.39063	1.0
70.97393	0.9
71.01370	6.2
73.02929	1.6
78.95931	1.2
83.01382	16.2
84.02143	2.2
85.02947	100.0
93.03449	92.3
93.10951	1.0
96.95927	1.0
99.00878	1.6
99.04518	2.3
101.02402	1.9
111.00876	26.6
113.02454	1.6
121.02944	38.0
123.04502	1.5
125.02423	1.8
129.01938	61.9
131.05112	1.2
133.06551	2.1
136.01688	1.8
137.02440	70.3
147.02998	2.5
149.06071	2.4
159.04474	5.8
161.06055	2.1
167.03522	4.4
173.00908	6.6
177.05550	27.5
189.05576	1.3
191.01950	2.0
197.04482	1.1
205.05074	17.8
232.67696	1.1
249.04129	4.4
251.05457	1.9
267.05191	5.2
269.04599	20.1
293.02985	1.8
295.04486	1.5
307.19653	1.2
311.04044	1.6
313.05664	4.4
433.07510	1.5
433.28479	1.4
508.28650	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	553.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	14.5
57.03192	0.7
57.03455	13.2
59.01383	3.7
62.16215	0.6
65.00312	0.6
67.01895	2.9
68.99815	1.5
69.03439	1.3
71.01382	4.4
72.99301	3.5
80.02679	1.0
81.03464	1.0
83.01388	37.2
83.05040	4.1
84.02174	10.4
85.02952	62.2
89.00323	4.4
91.01888	3.2
92.12385	0.8
93.03445	7.2
95.01385	2.9
95.05024	3.2
99.00884	3.2
99.04515	100.0
101.02439	0.7
106.00610	5.2
108.02151	1.2
109.02945	9.0
109.06589	32.6
110.03735	3.2
111.00881	60.3
111.04501	11.3
111.08154	5.9
113.06075	1.2
121.02955	77.6
121.06591	18.8
122.03761	0.9
123.00887	13.7
123.04504	4.6
123.08153	3.3
124.05302	1.1
125.02458	1.1
127.00356	4.3
129.01945	17.6
136.98843	1.6
137.02425	3.4
137.06105	3.1
138.03227	11.3
139.00403	8.2
139.04010	2.4
139.07658	38.9
149.06111	2.8
153.01994	0.9
153.05577	44.6
154.02791	0.9
154.99875	3.0
165.05531	0.7
166.02664	0.7
166.99844	13.2
167.07135	27.7
173.00926	1.3
179.03415	0.7
182.00635	1.4
182.02214	31.5
191.03636	0.9
193.05019	1.4
196.03789	1.1
197.04572	90.8
206.05933	0.7
207.03041	1.1
211.06152	22.8
217.01488	0.9
222.05373	3.7
229.07227	1.6
237.04053	3.0
237.07701	4.2
250.04872	1.5
255.05121	7.7
265.07211	19.5
269.04562	6.0
273.06357	2.4
309.06287	1.4
311.11493	1.1
353.05081	1.5
373.11499	1.6
409.11520	1.2
432.55457	0.7
521.98029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	8.9
57.03456	18.5
59.01384	12.5
63.20498	0.6
65.00322	1.3
68.99819	0.9
71.01378	5.1
72.99310	3.3
73.02930	1.3
81.03459	6.8
83.01383	21.9
83.05022	3.1
84.02158	6.0
85.02947	80.6
85.06546	0.6
87.00857	1.5
89.00333	0.7
89.02402	0.8
91.01880	0.8
93.03445	4.0
95.01367	1.0
95.05004	1.4
97.90815	0.6
99.00896	1.6
99.04510	68.8
101.02422	2.9
106.00609	1.6
108.02178	0.8
109.02934	6.0
109.06590	14.7
110.03727	2.5
111.00880	33.1
111.04533	3.9
111.08201	3.4
113.06036	0.8
115.95337	0.6
121.02939	33.3
121.03776	1.5
121.06594	8.5
123.00894	9.2
123.04512	44.3
123.08128	0.7
124.05235	1.2
125.02442	15.8
127.00381	3.7
129.01939	12.5
130.08746	0.7
136.98853	0.9
137.02438	4.3
137.06128	1.4
138.03198	7.8
139.00389	10.1
139.04015	4.3
139.07643	20.7
148.45291	0.6
151.00380	3.3
153.05574	24.0
154.99873	1.0
163.03960	1.4
165.05600	1.5
166.99867	4.1
167.03484	100.0
167.07143	22.5
173.00978	0.8
178.02618	0.8
179.03551	1.6
181.01398	0.7
182.02194	11.9
189.01965	1.1
191.03540	3.3
193.05115	1.6
196.03770	1.6
197.02733	1.6
197.04558	42.8
205.60684	0.7
207.03011	0.9
211.06119	8.9
217.01437	1.3
222.05388	4.1
229.07230	2.8
237.03944	0.8
237.07608	5.0
250.04733	0.9
252.04411	1.2
255.05101	4.6
258.21402	0.8
265.07224	17.6
267.06528	0.9
269.04559	13.9
273.06155	2.9
309.06152	1.2
311.05786	1.0
373.11401	1.4
385.15182	3.6
409.11536	1.1
490.28006	0.8
508.28561	4.0
509.28799	3.3
530.73969	1.0
531.23096	0.8
547.05353	0.7
553.12488	0.8
553.19458	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	553.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39685	0.3
58.02972	0.8
59.01370	0.5
67.18514	0.4
70.02997	0.5
72.00903	4.6
74.02470	2.9
82.02972	2.1
84.04538	2.4
85.02920	0.5
93.03455	3.9
101.07170	2.2
109.04081	5.3
112.04058	0.6
116.07904	0.4
119.05013	13.7
123.05650	2.4
127.05130	24.4
128.03532	100.0
134.06142	1.5
136.07663	0.4
141.06720	3.7
163.04022	13.8
167.04630	12.2
180.06667	55.1
181.06865	0.4
185.05708	1.9
186.11925	0.4
219.11348	0.5
244.37772	0.5
247.10834	3.8
271.28210	0.5
291.09897	19.5
309.10950	57.3
380.43707	0.5
407.63290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
57.03454	0.9
59.01387	7.7
63.02403	0.6
65.00329	0.6
67.05547	0.1
68.99810	0.1
69.03461	0.1
71.01388	3.2
71.05013	0.1
72.99338	0.1
73.02958	1.2
83.01389	1.0
83.05027	0.4
85.02956	2.0
87.00866	0.6
89.00363	0.1
89.02448	0.2
89.80096	0.1
91.01902	0.6
93.03448	0.2
95.01367	0.2
95.05019	0.2
97.02947	0.2
99.00873	0.6
99.04496	1.2
101.02444	1.8
107.00799	0.1
107.01409	1.1
107.05022	0.2
108.02181	2.0
109.02944	2.3
109.06551	0.1
112.01703	0.1
113.02439	1.5
119.08648	0.5
121.02952	0.5
122.03732	6.1
123.04522	12.1
124.04800	0.1
125.02426	0.2
132.02209	0.2
133.02959	2.7
133.10248	0.2
135.00890	0.3
135.04527	0.7
135.08130	0.9
135.11830	0.2
137.02437	2.0
137.09709	4.6
141.05548	0.2
143.03500	0.1
148.05307	0.1
149.02408	0.5
153.09201	0.2
155.05006	0.2
157.02992	0.4
157.06572	0.1
159.03111	0.2
159.04497	1.4
161.02383	0.1
161.04552	0.8
161.09669	0.8
163.07629	2.6
169.06586	0.6
171.04497	0.1
176.01166	0.1
179.10773	1.2
180.05840	0.6
181.06601	1.9
181.08710	2.3
183.04495	1.1
196.05328	0.5
197.06085	0.8
197.11775	0.1
199.04056	0.4
201.05620	1.2
209.08189	0.2
213.05586	0.5
223.04114	0.1
223.09785	0.6
224.04858	1.3
225.05618	1.0
227.03471	0.2
240.04279	0.2
241.05032	0.5
241.10872	0.2
244.22058	0.1
253.05138	0.2
268.03860	0.6
269.04572	100.0
270.04907	8.4
291.06766	0.1
292.15234	0.1
303.21643	0.1
305.23346	0.4
311.05746	0.1
323.15613	0.1
449.27496	1.3
467.28531	0.4
491.19083	0.1
493.63058	0.1
509.20316	4.9
510.20456	0.2
535.18146	0.6
553.19312	13.4
554.19556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
55.62595	0.4
57.03458	5.3
59.01114	0.8
59.01390	20.5
61.43547	0.4
61.98828	0.7
62.83897	0.4
63.02391	0.7
64.35558	0.4
65.00333	0.5
71.01386	6.4
72.99309	0.7
73.02936	4.0
74.32343	0.4
77.61728	0.3
83.01418	3.5
85.02954	2.8
87.00891	1.1
89.02449	2.6
91.01869	0.5
92.12370	0.9
96.96014	9.4
97.02946	0.9
99.00838	0.5
99.04521	2.9
101.02448	6.5
105.26708	0.5
107.01391	0.8
108.02184	25.0
110.64510	0.4
111.00848	0.6
113.02456	2.7
116.92854	0.6
117.03463	2.6
119.03525	0.9
119.08684	0.5
121.03004	0.5
123.04525	12.4
125.02464	0.7
133.02972	2.1
135.08163	0.9
136.33311	0.4
137.09753	2.0
149.02458	0.5
151.00372	0.8
152.01163	62.8
159.04510	0.6
161.02480	0.6
161.09671	0.6
163.07631	3.6
167.03500	66.0
169.06641	0.7
171.13928	0.6
176.01202	1.0
178.91853	0.4
179.10817	1.1
180.05748	0.5
181.06534	1.0
181.08713	4.5
183.04373	0.7
189.72478	0.4
195.10306	0.4
197.06163	0.7
197.11853	1.7
201.05565	0.6
204.65846	0.4
214.35112	0.5
223.09839	3.2
224.04781	0.6
225.05617	1.9
227.03523	0.9
240.04027	0.5
241.10829	2.8
247.09755	1.0
253.05095	2.6
265.10886	1.8
268.03745	4.7
269.04584	100.0
270.04916	7.7
283.12024	0.6
291.06754	0.5
305.23444	0.9
307.11923	0.6
311.05655	3.6
325.13190	1.6
373.18765	2.6
385.15109	7.0
445.63297	0.5
449.27631	4.3
467.28619	1.8
509.29572	0.8
515.25372	0.5
553.19360	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.3
57.03459	2.1
57.78944	0.2
57.83627	0.2
59.01112	0.5
59.01391	10.6
59.01690	0.4
64.13808	0.2
71.01381	2.0
73.02947	3.6
75.00863	0.2
75.43681	0.2
80.02656	0.5
83.01393	3.3
83.05024	0.9
85.02946	0.5
87.00883	0.4
97.02953	0.5
97.06552	0.3
99.04483	0.9
101.02449	2.0
105.07649	0.2
108.02170	41.4
109.02943	1.2
109.06568	0.6
113.02442	0.6
113.65765	0.2
119.08652	1.2
121.06561	1.1
123.04512	17.9
125.02347	0.4
125.06072	1.2
133.02936	1.0
133.10155	0.2
135.04561	0.3
135.08138	2.1
137.06079	0.3
137.09697	3.8
141.05594	0.3
144.17021	0.2
148.05258	0.3
149.09682	0.4
152.01151	97.2
153.01656	1.0
159.08096	0.5
161.09691	2.6
163.07652	4.5
165.09254	0.4
167.03490	100.0
168.03807	1.1
177.09239	0.8
179.10791	2.7
181.08725	4.6
183.04492	0.2
189.16884	0.2
197.11859	3.0
203.10799	1.4
205.08609	0.3
223.09776	6.1
223.11794	0.4
229.08710	0.9
237.11354	0.3
241.10822	3.4
242.60147	0.3
247.09764	1.2
262.78394	0.3
265.10846	2.4
268.03790	0.9
269.04565	17.5
270.04825	1.0
283.11859	1.5
289.10950	0.5
307.11905	1.2
311.05872	0.4
325.12967	2.3
346.91144	0.2
370.50864	0.2
385.10461	0.4
385.15134	7.5
388.47064	0.2
449.27762	0.2
553.19293	16.2
554.19617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12981	1.3
51.43410	1.3
58.02964	4.0
60.62664	1.4
71.53007	1.5
72.00916	16.1
82.02982	1.8
101.58286	1.6
107.58348	1.5
109.04050	6.2
112.04032	1.7
127.05134	35.0
127.33385	1.6
128.03532	100.0
128.04482	3.3
147.04524	51.2
159.47733	1.6
164.07182	97.0
164.08563	3.1
257.09366	7.8
269.04480	6.7
275.10428	13.8
277.21609	3.4
316.45511	2.0
388.24863	11.4
454.62772	1.7
491.32816	1.9
535.31799	30.6
553.32825	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67662	0.5
57.03454	1.2
57.89761	0.6
58.99607	1.1
59.01392	7.1
61.98840	0.5
66.79837	0.4
67.57073	0.4
71.01381	2.1
73.02926	0.7
79.97645	0.5
83.01397	0.5
84.04567	0.5
85.02949	5.8
101.02445	1.1
102.01828	0.5
111.00852	0.8
112.04014	0.7
113.02434	0.7
121.02932	0.6
123.04508	3.1
125.02393	0.7
128.03589	0.7
154.47624	0.5
163.11148	0.5
166.05060	2.3
168.40533	0.5
184.04327	0.6
184.06165	1.1
197.04550	0.6
245.15488	2.0
269.04462	2.5
279.14136	0.5
303.19601	0.7
319.17310	3.0
337.18509	40.6
381.17459	100.0
387.16782	0.6
442.78680	0.8
449.27390	2.2
450.27850	2.2
468.20654	3.0
504.30661	0.7
510.21716	94.4
511.22055	1.2
554.22394	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	554.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
66.17636	0.1
78.95902	5.7
91.33348	0.1
98.06001	0.2
109.36511	0.2
113.38677	0.2
128.64249	0.2
152.99554	1.0
160.67932	0.2
168.04314	1.5
174.85934	0.2
177.62257	0.2
224.06943	1.0
242.07974	2.4
257.46625	0.2
261.22192	0.3
270.53329	0.2
279.23303	100.0
280.23621	2.1
317.51883	0.2
504.31042	31.8
505.31421	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02091	0.3
54.33132	0.3
55.65708	0.4
58.16763	0.3
64.34676	0.3
73.63811	0.3
78.95902	22.5
84.74796	0.3
87.07951	0.3
96.96944	0.4
124.94541	0.4
135.27829	0.3
140.30353	0.4
152.99597	2.7
157.25453	0.4
168.04288	5.7
224.06955	7.9
242.08031	1.9
255.51018	0.4
263.20129	0.4
279.23309	100.0
280.23645	2.1
489.38330	0.4
504.31039	60.7
505.31250	0.6
555.28436	0.6
584.45715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48802	0.1
59.01387	16.2
78.95901	5.3
80.96492	0.4
89.23191	0.1
109.63034	0.1
122.99232	0.1
151.91512	0.1
152.99596	1.1
168.04292	1.2
224.06955	0.8
237.22339	0.1
242.08031	1.8
248.28589	0.1
255.23318	100.0
256.23663	2.6
257.21179	0.2
279.23273	0.2
480.31021	26.9
481.31351	1.5
551.35022	0.1
555.28290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48172	0.3
53.80585	0.3
55.67276	0.3
56.64151	0.3
59.01387	21.3
78.95900	16.5
152.99573	2.7
168.04272	3.1
215.94794	0.4
224.06938	6.7
240.77258	0.4
242.07973	0.8
247.00569	0.4
255.23317	100.0
256.23694	1.9
360.43958	0.3
420.37195	0.5
480.31009	52.2
481.31250	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	555.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74254	0.1
55.01886	0.2
57.03453	0.8
59.01383	1.7
61.98827	0.1
63.02392	1.3
64.02726	0.1
65.00333	0.6
68.99805	0.1
69.03448	0.5
71.01385	0.4
72.27135	0.1
73.02956	0.5
81.03449	0.1
83.01388	0.7
85.02948	2.9
87.00845	0.1
89.00320	0.2
89.02437	0.1
91.01882	0.6
93.03425	0.1
95.01380	0.2
96.95989	1.5
97.02941	0.3
101.02439	0.2
107.01389	1.1
109.02915	0.1
111.00862	0.2
121.02943	0.2
123.00893	0.8
123.04540	0.2
124.01644	3.0
125.02435	8.5
126.18984	0.1
129.01952	0.9
132.02179	0.6
133.02940	3.3
134.03284	0.2
135.00928	0.2
135.03595	0.1
135.04547	0.7
137.02466	0.6
137.09744	0.2
147.02998	0.1
149.02461	0.2
149.99580	4.1
151.00383	0.5
153.01945	0.1
153.68513	0.1
155.05013	0.2
157.02959	0.5
157.06667	0.1
159.04518	1.6
161.02452	0.1
164.33983	0.1
167.03534	0.4
167.04919	0.1
168.00635	9.2
169.01471	1.0
169.06549	0.8
170.06920	0.1
173.00986	0.2
173.06117	0.1
176.01286	0.1
179.35272	0.1
180.05846	0.8
181.06560	1.6
181.08113	0.1
182.03777	0.2
182.06879	0.1
183.04530	1.2
191.01932	0.1
191.73521	0.1
195.04506	0.1
196.05318	0.6
197.04489	0.2
197.06091	1.0
199.04015	0.5
201.05598	1.2
209.06110	1.0
213.05681	0.4
223.04079	0.1
224.04800	1.6
225.05589	1.1
227.03528	0.2
237.05571	0.1
239.03487	0.5
240.04253	0.6
241.05042	0.6
250.56334	0.1
253.05054	1.8
265.05081	0.5
267.03033	0.6
268.03775	6.5
269.04562	100.0
270.04889	10.7
271.05109	6.7
281.04633	0.3
282.05365	0.2
283.06140	0.9
291.06680	0.9
297.04080	0.1
311.05634	6.5
312.06015	0.5
313.06070	0.5
331.06607	0.2
335.05765	0.5
353.06818	0.1
451.27859	0.1
555.17200	10.3
583.89777	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	555.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.8
57.03457	28.0
57.80913	0.4
59.01387	10.7
61.96585	0.4
63.42036	0.4
67.01881	0.4
71.01381	4.9
72.99316	1.2
73.02940	1.9
73.72569	0.4
75.00872	1.9
78.95871	0.4
79.95737	0.5
83.01379	6.7
84.02153	2.2
85.02951	100.0
87.00891	1.1
87.77328	0.5
88.30151	0.5
89.02429	1.6
91.44627	0.4
92.11777	0.8
96.96005	24.7
98.68216	0.5
101.02450	2.4
111.00883	11.6
112.03211	0.4
113.02456	0.7
121.02957	11.4
123.00883	0.9
123.04543	0.5
125.02494	0.8
126.90524	0.8
129.01939	42.3
138.03264	1.0
139.00410	2.2
139.04037	1.0
147.03014	6.5
152.53456	0.6
153.01921	0.6
153.05586	7.5
161.04654	0.6
166.99937	0.6
173.00941	7.7
181.01468	0.6
182.02299	3.0
183.10272	19.2
191.01981	4.9
193.05107	0.6
197.04582	12.2
222.05423	1.0
227.33650	0.5
251.12885	3.4
253.05292	0.6
265.07339	4.1
269.04559	1.1
313.13107	2.5
327.07236	4.0
351.21820	10.8
357.12067	4.0
371.06241	2.5
375.13141	6.8
381.19281	0.5
398.20428	0.6
439.42981	0.6
450.27701	0.8
554.14716	0.5
555.16833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	4.6
61.98821	2.8
70.02984	1.0
72.00905	15.3
74.02460	1.2
82.02988	2.1
83.06138	0.6
84.04530	4.0
91.05511	1.1
92.12318	0.6
101.07185	1.3
107.02502	0.5
109.04069	9.6
112.04029	3.4
116.05058	2.9
116.71713	0.4
118.06621	2.3
123.03276	0.7
127.05130	36.0
128.03532	93.8
130.10330	0.5
135.04425	0.5
147.04532	54.7
164.07184	100.0
165.07452	0.6
205.13455	0.9
214.08781	3.1
231.11395	1.9
249.12453	2.4
257.09363	8.7
275.10446	14.8
278.24896	0.9
279.23358	5.7
345.29019	3.1
390.26559	14.5
493.34564	1.1
511.35907	0.7
537.33423	31.1
548.73315	0.5
555.34448	48.1
556.34546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	0.3
66.39565	0.2
71.64099	0.2
78.95913	18.1
79.35399	0.2
84.00777	0.2
102.92640	0.2
122.60036	0.2
152.99612	2.9
168.04303	3.8
224.06969	8.2
242.08009	1.9
281.24878	100.0
282.25208	1.6
414.61212	0.3
492.20590	0.3
506.32553	55.2
507.33041	2.1
552.61853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56985	0.3
53.96519	0.3
54.82787	0.4
55.01893	3.5
57.03456	17.7
59.01117	0.4
59.01390	9.7
61.02523	0.4
64.68759	0.4
68.99800	0.4
71.01382	7.4
72.99307	2.8
75.00890	4.1
83.01390	4.9
84.02181	2.8
85.02951	100.0
87.00874	1.5
89.02444	1.0
90.69285	0.4
93.03455	0.5
96.55957	0.4
98.41537	0.4
99.00874	0.4
101.02448	0.8
103.00361	2.2
111.00879	6.3
115.00347	1.6
115.04015	0.4
116.05077	0.9
117.03513	0.7
119.05016	4.1
120.07758	0.4
121.02961	0.7
129.01917	7.2
133.01428	1.7
138.05553	2.8
147.02994	12.1
154.06566	0.5
157.07745	2.5
163.04024	2.1
171.09283	0.6
173.00908	0.8
191.01994	39.8
192.02257	0.4
203.08389	1.8
209.03059	21.3
234.09230	3.3
246.09305	0.7
277.13538	1.8
293.11484	0.6
321.12494	3.3
354.05942	0.5
355.06879	2.4
365.11438	3.0
557.14209	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	557.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36598	0.1
56.67815	0.1
59.01102	0.2
59.01384	3.4
71.01381	1.8
73.02940	2.8
78.95896	0.5
79.82138	0.1
79.95735	1.6
82.86290	0.1
83.01393	0.6
85.02938	0.5
87.26630	0.1
89.02444	0.6
96.96001	100.0
97.93110	0.3
101.02441	1.9
113.02431	0.2
113.86525	0.1
114.93412	1.5
121.29076	0.1
139.49265	0.1
161.04570	0.4
174.57457	0.1
193.12411	0.2
267.08716	0.1
269.12061	0.1
373.18799	0.1
415.19730	4.8
434.03537	0.1
471.15518	0.9
557.11829	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05062	0.6
57.43011	0.5
59.01363	0.9
78.95904	72.9
81.02573	0.7
87.77203	0.7
88.98779	0.7
96.96952	18.3
128.18597	0.7
150.97989	0.8
152.47604	0.6
152.99596	66.3
155.10469	0.7
235.59015	0.7
241.01227	32.3
241.21765	100.0
242.22081	1.4
259.79816	0.8
315.04968	10.9
377.20947	4.4
440.23306	0.7
476.27823	1.6
557.27411	100.0
558.27905	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70765	0.3
59.01387	9.4
60.01725	1.2
61.01812	1.5
61.98837	100.0
62.04376	0.2
64.61613	0.2
66.98350	0.2
70.21619	0.3
71.66029	0.2
77.86893	0.2
78.95903	8.9
79.34048	0.2
80.96341	1.4
91.43240	0.2
152.99519	1.8
168.04361	1.2
170.04871	0.3
173.20758	0.3
197.85301	0.3
224.06960	2.1
225.07423	1.1
226.07516	0.6
255.23343	18.7
256.23660	21.9
257.23962	15.6
258.24219	6.3
279.31702	0.3
281.25113	0.6
282.25244	1.2
306.84900	0.3
330.42859	0.3
437.80878	0.3
480.31296	1.8
481.31439	3.9
482.31622	12.5
483.31873	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	558.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34652	0.3
58.01445	0.3
58.02967	0.8
60.70373	0.3
71.01376	1.9
88.04044	7.3
88.36124	0.3
99.04510	0.4
100.07681	10.3
101.06070	2.8
112.04086	0.4
114.02013	0.7
114.38837	0.3
115.00346	3.5
116.07196	0.9
122.92083	0.3
128.10818	5.5
130.08730	100.0
154.08708	0.6
172.09805	84.9
198.07695	1.5
216.08798	21.4
236.23228	0.4
308.45587	0.4
441.36578	0.4
481.19757	0.4
539.48462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17379	0.3
55.08421	0.2
60.75313	0.3
61.98838	0.5
64.27956	0.2
76.58015	0.3
78.95906	100.0
92.65972	0.2
96.96961	10.0
116.92870	0.5
122.84505	0.3
140.01187	0.4
150.98033	0.3
151.93817	0.3
152.99593	21.6
168.94456	0.3
171.00644	20.8
214.04823	0.5
241.01199	0.6
241.21819	1.8
242.22186	1.2
277.21823	0.3
352.43021	0.3
402.23999	2.4
438.05139	0.3
476.27866	55.9
477.28268	1.4
557.26984	0.3
558.27594	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	558.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94117	0.3
59.01382	0.8
61.98829	1.1
66.31947	0.4
78.95898	6.8
116.92831	0.7
136.29095	0.5
140.01170	1.2
152.99619	0.8
177.00922	0.5
191.05014	0.5
196.03798	0.8
214.04842	2.0
269.92078	0.5
279.23306	100.0
280.23642	0.9
341.75522	0.5
476.27878	27.7
558.28680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
61.98834	0.7
78.95902	18.9
99.92544	0.4
116.92854	1.3
122.00075	1.1
140.01196	6.3
152.99586	2.5
187.97450	0.3
196.03809	9.1
214.04861	1.6
219.13614	0.3
279.23306	100.0
280.23679	1.5
476.27881	51.6
477.28281	1.2
558.28760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77419	0.2
61.98833	0.4
63.45040	0.3
76.18557	0.3
76.72873	0.3
78.95900	19.1
86.84120	0.3
92.12468	0.6
99.99970	0.3
107.44165	0.3
122.39689	0.3
152.99612	3.1
168.04318	3.9
224.06973	7.6
242.08023	1.7
283.26450	100.0
284.26627	1.1
358.64676	0.3
508.34128	51.7
509.34393	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	559.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93474	0.2
54.82311	0.2
57.03438	1.0
59.01387	25.0
60.32515	0.2
63.02401	2.2
65.00336	0.6
68.99799	0.3
71.01378	3.9
73.02943	1.3
75.00862	1.4
80.78981	0.2
83.01372	1.0
85.02956	3.3
87.00888	0.9
88.04012	0.3
89.02431	1.6
91.01890	0.5
93.03456	0.4
94.78941	0.2
99.00868	1.3
101.02420	1.4
105.06650	0.2
107.01385	2.0
113.02441	2.3
115.04043	0.4
117.03411	0.3
119.05018	0.5
121.02982	0.5
123.04469	0.3
125.02393	0.3
131.03535	0.8
132.02176	0.5
133.02951	5.6
135.00943	0.5
135.04500	0.5
143.03503	0.4
144.87584	0.2
148.05280	0.4
149.02448	0.3
149.04472	0.3
151.00327	0.9
153.02065	0.2
155.05048	0.5
157.02885	0.4
159.04495	1.8
161.02472	0.3
169.06516	0.6
175.59972	0.2
180.05840	1.2
181.06583	2.4
182.03696	0.3
183.04517	1.4
196.05362	1.4
197.06120	1.5
199.03990	0.5
201.05656	2.0
203.44504	0.2
208.05321	0.3
209.06070	1.5
213.05669	0.9
224.04825	1.5
225.05583	1.6
227.03435	0.3
237.05545	0.4
252.04344	1.1
252.94936	0.3
253.05116	5.6
255.06949	0.3
265.05103	0.4
267.03052	0.4
268.03778	2.7
269.04584	100.0
270.04895	1.6
271.06100	1.6
272.06659	0.3
273.06921	0.3
281.04584	0.3
283.06168	1.5
286.05075	0.3
291.06711	0.3
307.06274	0.3
311.05670	3.6
315.74240	0.3
335.05646	1.2
365.27075	0.3
432.04608	0.3
438.56158	0.3
455.10233	0.5
499.12653	1.0
513.20917	0.3
529.26318	1.0
529.76965	0.5
559.25671	1.2
559.76141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82762	0.3
55.01876	0.2
57.03440	0.5
59.01385	9.0
67.75491	0.2
71.01376	2.9
72.99309	0.4
73.02940	1.1
75.00836	0.4
77.86303	0.2
81.95284	0.2
83.01376	0.6
85.02945	1.1
85.80158	0.2
89.02447	0.6
96.00928	0.3
96.95999	27.0
97.95933	0.9
98.94945	0.8
98.95583	16.2
98.96414	2.9
99.00871	1.3
99.04470	0.3
99.92577	19.4
100.93353	1.2
101.02442	1.6
113.02440	0.5
115.92070	16.1
116.92851	100.0
117.92864	1.6
117.93651	0.5
119.03543	0.3
123.68945	0.2
125.02429	0.4
132.33427	0.3
140.92865	0.3
141.93619	0.5
142.94427	0.5
158.93983	0.3
167.03717	0.2
170.93863	0.3
173.92566	0.2
174.93427	0.5
184.91866	1.6
196.95636	0.4
269.04584	0.3
273.02271	0.4
292.37604	0.3
293.04645	0.2
309.04395	0.4
327.05545	0.4
415.19812	3.7
416.20361	0.5
417.20511	0.5
419.07648	0.3
428.04001	0.3
436.04996	0.3
437.09192	2.2
438.09305	0.3
455.10355	2.4
457.21042	1.9
473.10944	1.8
479.09839	2.1
497.11353	3.7
515.12311	6.8
559.11304	15.9
560.11359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41879	0.5
55.01876	1.3
57.03451	1.1
58.00599	1.1
59.01389	81.1
65.28827	0.5
69.03460	2.4
71.01385	47.4
72.99303	2.4
73.02949	41.6
75.00877	0.8
81.03460	1.1
83.01398	2.5
85.02938	6.7
87.00887	0.9
89.02444	61.7
91.20216	0.5
95.01373	0.9
96.96023	2.4
97.02940	3.3
98.95616	0.9
99.00880	100.0
99.92581	2.5
101.02454	11.0
111.00867	0.6
113.02452	13.1
115.92048	1.0
116.92854	12.5
119.03510	0.9
125.02459	7.7
131.03506	13.7
142.02769	0.7
143.03522	4.4
143.15988	0.6
149.04572	43.3
155.03552	4.3
161.04573	2.8
164.04770	1.0
179.07104	0.8
179.10788	16.7
180.57022	0.6
191.05644	27.6
203.05635	16.6
233.06717	11.3
252.04340	3.3
253.05162	4.3
269.04520	4.3
320.08719	0.6
335.09952	3.5
402.27780	0.6
495.17084	0.6
499.13287	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73954	1.7
52.21608	1.9
54.82515	1.9
56.41757	1.7
57.03450	2.3
59.01111	3.0
59.01385	60.8
71.01390	22.2
73.02942	16.3
76.57401	1.9
83.01382	4.4
85.02955	13.3
87.00877	3.5
87.04475	2.0
89.02418	9.1
92.11718	10.1
96.73813	2.0
96.99318	2.8
99.00841	2.8
101.02452	15.0
107.40760	2.0
111.00864	11.5
113.02436	4.8
119.95825	1.8
125.02412	2.3
159.31856	2.3
184.77556	1.9
199.73096	2.0
202.73317	2.2
223.17024	11.1
275.20282	2.7
293.21326	4.5
311.22275	15.5
455.26376	4.0
473.27307	15.0
497.26950	2.2
515.20911	4.0
515.28619	100.0
519.24921	2.5
519.75360	8.5
520.25568	3.9
530.32977	2.3
540.26404	7.4
540.76019	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	559.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.3
56.45175	0.5
57.03451	1.4
59.01390	100.0
61.98835	1.4
64.34359	0.6
64.66074	0.5
68.99812	1.4
69.03456	0.5
71.01383	22.0
71.05010	0.8
72.99287	2.4
73.02944	17.5
75.00845	3.0
75.01242	0.5
83.01385	5.6
85.02950	7.7
86.03271	0.8
87.00880	4.4
89.02438	10.9
92.12424	1.7
95.01369	1.4
96.99307	5.9
97.02931	0.5
99.00847	2.6
101.02430	16.5
113.02434	10.1
119.03501	3.1
121.63132	0.6
128.03542	0.7
129.01915	2.3
131.03481	1.3
161.04523	0.8
183.13896	0.7
190.93324	0.6
209.15372	0.6
244.40262	0.7
260.00674	0.6
293.21246	7.0
311.22327	1.3
392.56125	0.6
455.26492	2.5
473.27716	7.0
496.03024	0.6
497.27304	3.0
515.28680	92.1
519.25409	2.4
519.75568	8.5
520.25580	4.1
520.75214	1.4
527.75226	0.8
528.24976	1.1
528.75702	3.1
535.76752	3.6
536.26532	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50675	0.2
58.02976	0.6
59.01387	2.3
71.01383	12.6
71.05019	15.0
72.00897	0.5
74.02477	0.5
85.02938	0.3
88.04034	94.5
89.02412	0.4
92.12428	0.4
96.96001	0.5
97.70123	0.3
99.04515	4.0
110.95247	0.2
116.03535	0.6
116.07161	3.0
125.18629	0.3
128.03496	0.4
129.05539	1.0
130.05087	1.0
133.54755	0.2
146.08229	55.0
199.54176	0.2
217.12054	0.4
218.10353	100.0
219.05029	0.3
219.10817	0.5
322.41644	0.3
341.10907	0.8
580.95697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	10.4
56.08224	0.9
57.03202	1.0
57.03461	26.4
59.01112	1.2
59.01388	22.0
65.00339	1.1
66.82935	0.9
71.01384	7.8
71.04986	1.0
72.99300	1.9
73.02949	5.7
81.03460	5.3
83.01384	24.8
84.02122	1.5
85.02950	100.0
87.00900	1.4
89.00307	1.4
89.02456	1.6
90.92945	1.0
91.01875	2.2
91.40747	0.8
93.03454	40.8
99.00877	3.8
99.04514	19.5
101.02438	1.9
108.02176	13.2
111.00880	46.8
113.02477	1.0
119.05010	1.7
121.02943	20.4
123.00898	2.1
123.04507	13.8
125.02448	1.4
127.04003	5.0
129.01932	56.4
137.02432	27.3
138.03210	1.4
147.02959	3.7
147.04536	8.9
149.06110	3.5
149.44000	1.0
152.01167	19.1
153.05588	9.3
154.99889	1.8
159.04514	1.3
165.01910	1.9
166.99857	1.2
167.03500	31.2
171.02983	3.8
173.00900	7.7
175.04121	1.2
175.09798	1.8
177.05583	17.3
182.02223	6.0
192.04349	1.0
197.04591	19.7
205.05122	10.3
207.06738	2.2
212.04976	1.3
221.04633	1.0
223.07912	1.1
235.06157	7.6
239.03477	1.2
240.04245	6.6
249.04097	2.2
253.05049	2.3
253.42892	1.0
255.17448	1.1
265.07159	1.7
267.02853	1.2
268.03766	1.3
271.06100	1.6
273.06070	6.3
279.05109	1.4
283.06158	14.9
291.07477	1.9
293.03036	2.3
297.06195	1.4
317.17471	2.1
323.04214	2.2
341.05148	1.2
343.15298	1.9
361.16599	16.2
362.16913	1.6
363.17355	2.1
417.21329	1.3
441.10519	6.0
486.24374	1.0
517.14063	1.8
523.22058	2.2
582.78571	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	10.4
56.08224	0.9
57.03202	1.0
57.03461	26.4
59.01112	1.2
59.01388	22.0
65.00339	1.1
66.82935	0.9
71.01384	7.8
71.04986	1.0
72.99300	1.9
73.02949	5.7
81.03460	5.3
83.01384	24.8
84.02122	1.5
85.02950	100.0
87.00900	1.4
89.00307	1.4
89.02456	1.6
90.92945	1.0
91.01875	2.2
91.40747	0.8
93.03454	40.8
99.00877	3.8
99.04514	19.5
101.02438	1.9
108.02176	13.2
111.00880	46.8
113.02477	1.0
119.05010	1.7
121.02943	20.4
123.00898	2.1
123.04507	13.8
125.02448	1.4
127.04003	5.0
129.01932	56.4
137.02432	27.3
138.03210	1.4
147.02959	3.7
147.04536	8.9
149.06110	3.5
149.44000	1.0
152.01167	19.1
153.05588	9.3
154.99889	1.8
159.04514	1.3
165.01910	1.9
166.99857	1.2
167.03500	31.2
171.02983	3.8
173.00900	7.7
175.04121	1.2
175.09798	1.8
177.05583	17.3
182.02223	6.0
192.04349	1.0
197.04591	19.7
205.05122	10.3
207.06738	2.2
212.04976	1.3
221.04633	1.0
223.07912	1.1
235.06157	7.6
239.03477	1.2
240.04245	6.6
249.04097	2.2
253.05049	2.3
253.42892	1.0
255.17448	1.1
265.07159	1.7
267.02853	1.2
268.03766	1.3
271.06100	1.6
273.06070	6.3
279.05109	1.4
283.06158	14.9
291.07477	1.9
293.03036	2.3
297.06195	1.4
317.17471	2.1
323.04214	2.2
341.05148	1.2
343.15298	1.9
361.16599	16.2
362.16913	1.6
363.17355	2.1
417.21329	1.3
441.10519	6.0
486.24374	1.0
517.14063	1.8
523.22058	2.2
582.78571	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87793	0.5
58.00592	0.6
59.01386	26.2
71.01383	22.0
71.05020	5.2
72.00917	3.4
72.99307	1.3
74.02482	9.1
83.01375	1.3
85.02956	4.9
86.02483	22.8
87.00884	0.9
88.04044	29.0
89.01884	1.0
89.02441	28.5
89.04385	3.7
92.05084	4.8
95.01344	0.8
96.95991	3.7
97.04050	2.8
101.02438	10.9
101.06071	0.6
109.51277	0.7
111.00858	0.8
113.02432	7.7
115.00351	1.3
116.92867	3.1
118.02974	0.9
119.03478	7.8
120.04513	0.7
128.03532	1.2
129.72325	0.8
130.06628	2.6
131.03726	8.2
132.04543	30.3
132.05540	1.1
143.03496	1.1
144.04553	21.4
146.04889	2.6
146.06110	0.9
146.08229	13.9
147.08575	3.0
157.07700	100.0
158.06105	9.0
161.04546	2.7
173.07259	1.1
175.08801	4.0
179.05600	12.2
201.06737	3.5
218.10335	27.5
219.07748	96.9
219.10646	8.7
220.08096	1.3
265.03247	0.7
341.10876	57.1
493.81912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95951	0.2
57.03450	0.4
59.01388	6.1
60.54623	0.2
61.07206	0.3
71.01377	2.5
71.40981	0.2
73.02950	3.1
77.46182	0.2
83.01369	0.7
85.02944	1.9
87.00867	0.3
88.98801	0.6
89.02441	0.7
93.03455	0.5
95.01362	0.4
101.02439	2.3
108.02172	1.2
109.02918	0.5
111.00828	0.4
113.02429	0.6
119.04996	0.6
121.02955	6.6
122.03751	3.1
123.00874	0.4
123.04543	0.6
124.01601	0.5
127.03985	0.3
133.02962	0.3
134.03712	1.2
135.04518	0.3
136.01660	80.8
137.02499	2.6
145.02917	0.4
149.02435	0.6
151.04012	100.0
152.01207	0.3
152.04361	1.7
154.02672	0.5
159.04506	0.6
160.05302	1.2
161.84926	0.3
162.03261	1.4
163.04015	1.5
164.04759	0.4
167.03514	0.7
175.04033	0.6
175.07637	1.6
177.05579	1.4
179.03551	0.5
189.05565	0.5
193.05128	0.3
223.06142	0.3
235.07686	1.2
253.08748	0.4
255.06482	0.4
263.07172	2.5
269.04431	1.6
271.06000	0.4
281.08218	3.0
291.06879	0.7
293.08170	1.4
294.09048	0.4
296.10574	0.5
308.10486	0.6
309.02148	0.4
309.07742	12.1
310.08063	0.3
323.09357	1.2
324.10071	4.6
339.12439	7.8
342.11157	5.5
357.13504	65.4
358.13885	2.0
413.18372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1981
Annotation	Saframycin A
Peak:m/z	Relative Intensity
55.01879	2.3
57.03448	1.8
59.01114	0.4
59.01390	8.1
59.24472	0.3
62.99494	0.4
66.75519	0.4
67.01880	0.3
69.03458	0.4
71.01386	6.1
72.99310	0.5
73.02934	2.3
79.22468	0.4
81.03455	2.5
83.01380	3.1
83.05047	0.5
83.11998	0.4
85.02964	10.2
85.07002	0.4
85.85761	0.4
89.02430	0.4
93.03445	3.9
95.01387	2.8
96.96011	0.6
97.02936	0.4
99.00899	0.5
99.04494	1.8
101.02406	3.2
107.01395	0.4
107.05016	0.7
108.02171	63.7
109.02952	47.1
109.03545	0.5
111.00870	4.3
113.02457	2.4
119.05036	0.7
121.02927	7.7
123.00840	1.0
123.04520	2.9
125.06069	1.9
127.03990	0.9
129.01929	1.6
131.04985	1.5
133.02914	0.9
133.06583	1.6
136.05333	0.7
137.02443	2.1
139.07677	1.6
147.04546	0.6
149.02446	6.9
151.04063	1.5
151.07652	0.7
151.77974	0.5
152.01151	84.2
153.01936	27.1
159.04471	0.5
159.11847	0.5
161.04597	0.8
161.06050	1.5
163.04002	2.8
164.04800	4.6
165.01981	1.7
167.03474	2.0
171.03052	0.4
180.81523	0.5
185.09773	0.5
189.05534	0.8
193.01410	0.5
195.02960	0.6
201.12865	4.1
203.10793	0.9
204.11589	2.3
208.03702	0.8
215.07202	0.5
219.13904	4.3
223.06108	7.0
223.68797	0.4
230.09409	2.2
245.11830	2.8
251.05489	0.4
263.12885	1.4
269.04474	0.5
315.07242	12.1
501.31036	0.5
561.19806	100.0
562.20190	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82690	1.0
55.01878	2.6
57.03447	4.3
59.01387	87.7
60.99322	1.9
62.94183	1.0
63.72935	1.0
64.79936	0.9
71.01380	33.5
72.99301	1.3
73.02953	21.9
76.69505	1.3
83.01376	6.6
85.02527	1.4
85.02956	20.4
88.98799	22.4
89.02446	17.8
92.11655	3.4
95.01360	2.0
95.05077	1.3
97.02949	1.9
99.00869	16.3
101.02445	14.7
112.01705	1.3
113.02459	19.2
117.01521	1.1
119.03487	2.3
121.77396	1.0
123.04549	4.3
123.08166	20.1
125.02471	2.2
127.03920	1.4
129.01903	2.4
131.03528	1.8
133.02943	10.8
137.09711	6.7
143.03505	1.3
149.04604	1.5
161.04552	7.5
163.11284	18.1
167.03505	2.7
171.03015	1.3
171.11731	1.2
177.01900	4.8
189.12834	27.2
191.05617	2.4
207.13937	30.1
225.14908	1.7
235.06067	1.4
385.71060	1.2
387.20316	2.7
429.21057	4.5
501.23688	4.4
519.17023	1.5
519.24530	37.7
520.24878	1.8
561.25586	100.0
562.25934	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	561.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41477	0.9
53.75006	0.8
54.28619	0.8
57.21943	0.9
59.01400	41.6
60.45473	0.8
71.01392	13.3
73.02956	20.1
83.01401	6.2
85.02950	1.5
87.00890	1.3
89.02454	2.6
101.02434	13.3
110.60098	1.1
113.09754	1.6
121.97676	1.1
153.12877	18.2
199.13292	1.5
248.84258	1.0
255.96800	1.2
278.77493	1.3
295.22827	1.4
313.23889	32.7
377.44418	1.1
382.69730	1.2
475.29248	7.1
517.30286	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	561.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60600	0.5
55.01887	1.1
57.03455	0.6
58.00620	0.6
59.01388	73.3
71.01382	12.9
72.99311	0.6
73.02948	10.3
83.01398	3.8
85.02942	7.0
87.00867	1.2
89.02451	6.7
99.00879	0.6
101.02445	11.5
113.02464	5.1
119.03532	0.7
121.02953	0.9
129.09198	1.2
167.03531	0.6
183.13887	7.4
195.13860	0.7
239.04237	0.8
277.21783	1.0
295.22864	5.4
295.58316	0.7
313.23926	6.3
377.37317	0.7
457.28119	6.7
475.29126	11.3
499.29190	4.0
517.30231	100.0
521.77271	1.0
540.25775	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
59.01114	2.0
59.01384	41.6
59.73415	1.2
64.34716	1.0
66.86879	1.1
71.01373	15.6
73.02938	8.8
83.01368	2.5
85.02934	6.4
87.00857	2.4
89.02419	6.3
92.11832	1.5
92.66322	1.1
101.02410	10.6
112.44183	1.2
113.02442	4.7
125.02370	1.7
237.27930	1.4
249.22212	2.0
295.22876	12.5
313.23923	5.2
325.61810	1.3
457.28101	4.8
475.29047	18.7
517.30231	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	561.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41263	0.8
53.74183	0.8
55.01890	1.2
55.28922	0.9
59.01385	58.7
65.39098	0.8
66.91658	0.9
71.01381	23.7
72.99312	1.2
73.02946	11.9
75.00872	1.7
79.95729	1.1
81.86829	0.9
83.01371	5.8
85.02950	11.5
87.00866	4.0
89.02437	9.2
95.01405	2.1
95.05057	1.5
99.00919	2.7
101.02423	17.1
104.69675	1.0
108.02100	1.1
113.02453	8.1
116.01990	1.0
119.03500	1.7
133.02945	1.1
147.92906	1.0
152.01173	2.1
161.04575	1.3
167.03439	4.0
210.25679	1.2
289.89899	1.1
295.22815	20.2
297.24426	4.7
313.23843	11.3
457.28418	8.6
475.29202	22.1
517.30194	100.0
530.27136	1.4
561.25391	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	561.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78033	0.3
54.09253	0.3
55.01882	1.6
57.03447	2.7
58.00601	0.4
59.01393	46.1
61.98843	0.5
69.03449	0.5
71.01393	22.7
72.99309	0.9
73.02956	15.1
74.26998	0.4
82.30986	0.4
83.01404	3.9
85.02962	10.3
87.00877	3.0
89.02445	9.4
95.01391	1.8
99.00882	0.9
101.02448	17.5
113.02454	9.2
119.03503	3.8
131.03500	0.8
168.52684	0.4
171.10303	1.1
183.13953	1.1
207.63307	0.4
237.18584	2.5
251.20306	0.7
255.06677	0.6
277.21826	2.0
293.21298	0.5
295.19434	0.9
295.22809	27.9
297.24390	1.9
302.99646	0.4
313.23880	13.7
325.23819	0.6
457.28101	9.4
475.29181	22.2
517.30237	100.0
518.30945	0.9
529.71454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20893	0.4
55.01886	0.8
57.03452	1.0
59.01395	61.0
69.03464	0.6
71.01389	25.9
71.05017	0.5
72.99287	0.9
73.02952	25.1
78.09568	0.4
83.01386	6.4
85.02958	7.1
87.00869	3.4
89.02449	11.7
95.01363	1.0
99.00887	0.7
99.08176	0.5
101.01767	0.7
101.02441	20.2
113.02450	8.7
119.03481	3.0
125.02475	0.8
125.22771	0.5
129.09215	0.8
151.95155	0.5
183.13918	2.9
224.34807	0.5
235.35001	0.4
237.18584	4.2
277.21802	2.3
295.22778	24.4
313.23862	5.5
325.23810	0.5
427.58337	0.5
457.28174	7.1
468.77344	0.6
475.29089	16.7
491.73801	0.5
517.30231	100.0
518.30426	1.9
524.19482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69224	1.3
59.01376	1.8
64.34512	1.4
71.41033	1.3
72.91007	1.6
78.95901	19.1
92.11685	2.2
96.24454	1.5
99.62176	1.8
107.80479	1.5
122.04433	1.6
152.99551	8.2
180.98724	2.1
190.34485	1.7
224.06967	7.1
233.65529	1.8
279.23306	100.0
295.39474	1.7
504.30984	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24986	1.3
54.83189	1.6
64.67587	1.3
73.39331	1.5
78.95908	14.5
152.99547	6.5
240.79401	1.7
242.07948	2.3
256.70676	1.6
263.47656	1.6
279.23322	100.0
372.09680	1.7
479.29257	2.4
504.24179	2.8
504.31064	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11574	0.6
52.51176	0.6
59.01374	1.3
61.98820	1.5
74.09820	0.8
76.40472	0.7
78.95901	27.4
80.21854	0.8
104.37859	0.7
104.67356	0.7
109.49709	0.8
121.02943	11.8
144.58348	0.7
152.99590	5.1
159.88383	0.9
168.04327	4.2
179.03503	4.9
224.06947	9.5
242.08054	3.3
259.20587	1.2
277.21735	100.0
278.22037	1.1
281.50977	0.8
314.72989	0.8
346.66638	0.8
373.80466	0.8
502.29495	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	100.0
63.25931	0.3
63.43156	0.4
68.57464	0.3
125.09848	0.5
132.28641	0.4
249.24507	0.4
279.23486	0.6
281.24863	0.9
347.38965	0.5
466.87064	0.5
526.38739	0.5
546.38983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49266	0.1
54.48932	0.1
56.96086	0.1
57.03453	0.3
58.22673	0.1
58.80699	0.1
59.01394	2.5
60.99313	19.3
62.07946	0.1
67.01876	0.2
70.25730	0.2
71.01380	0.7
71.51067	0.1
73.02946	0.2
75.90424	0.2
85.02955	0.4
87.00875	0.8
88.00418	0.4
88.98802	100.0
89.02441	12.8
89.99135	0.2
92.11676	0.6
93.86141	0.2
101.02467	0.3
108.02191	0.3
109.02962	1.1
113.02459	0.3
116.05041	0.3
151.00377	0.2
152.01283	0.3
153.01906	0.7
160.04089	0.4
169.93958	0.2
178.05069	0.2
180.80829	0.2
219.73363	0.2
230.59268	0.2
255.02997	0.3
258.34943	0.2
268.03903	0.8
269.04575	0.9
283.02563	1.3
284.03207	0.4
299.05862	0.4
369.41809	0.2
503.12109	0.3
563.21985	0.2
566.22821	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.2
57.03453	58.3
58.72145	0.6
59.01120	0.8
59.01386	20.7
59.77501	0.6
69.03439	4.4
71.01378	28.8
72.99282	0.8
73.02540	0.9
73.02937	19.8
76.84304	0.7
83.01386	7.8
85.02947	11.1
87.00851	0.9
89.02437	5.6
92.65173	0.9
95.01364	3.4
97.02943	23.0
99.00237	1.6
99.00871	35.2
99.04519	6.4
101.02431	36.9
109.03008	0.9
113.02442	15.5
124.01651	1.0
125.02424	93.8
131.03462	3.6
143.03502	2.8
159.02980	1.9
161.04555	15.0
191.05611	3.4
203.05603	3.1
287.07635	1.2
293.08817	3.3
306.18787	0.7
325.72803	0.7
351.19131	0.8
399.66586	0.9
401.11087	1.4
419.11987	100.0
420.12311	1.4
440.36444	0.8
461.13037	41.4
501.16068	9.4
563.16180	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87275	0.6
54.36275	0.7
55.01876	4.9
57.03457	60.6
59.01110	1.4
59.01385	22.4
66.03377	0.8
69.03448	4.2
71.01385	28.1
73.02943	17.3
81.69875	0.8
83.01397	9.6
85.02954	11.2
87.00866	1.4
89.02451	9.5
92.11747	2.1
95.01358	1.6
97.02943	22.8
99.00876	35.5
99.04517	6.2
101.02433	37.2
108.25968	0.8
113.02448	16.3
114.90108	0.8
124.01614	1.7
125.02438	100.0
130.73712	0.9
131.03487	4.9
143.03506	3.3
159.02963	1.0
161.04567	15.5
179.03471	1.3
179.19333	1.0
191.05676	4.7
203.05531	1.7
293.08701	1.5
325.74646	0.9
329.08728	1.4
332.92514	0.8
333.82529	0.8
351.54053	0.8
386.17889	0.9
396.49557	0.9
401.10922	1.6
419.12015	89.6
461.13068	43.5
501.16193	9.9
563.16162	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	563.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13319	0.5
54.82268	0.8
55.01873	3.2
57.03452	1.7
58.00597	1.2
59.01384	76.1
66.60730	0.6
69.03456	1.2
71.01381	54.9
72.99299	3.9
73.02934	7.0
75.00852	1.1
83.01379	4.0
85.02948	11.4
87.00870	17.4
88.04042	0.7
89.02437	86.6
95.01363	2.8
97.02926	1.5
99.00856	1.4
101.02435	40.0
111.00861	2.7
113.02444	24.6
115.00385	1.2
119.03498	15.1
125.02444	4.5
130.31174	0.8
131.03510	4.0
131.05046	2.9
133.01405	0.7
133.06584	22.8
143.03503	6.6
145.01505	1.3
146.08282	0.8
149.04585	3.0
157.24358	0.9
159.04547	1.7
161.04543	13.1
179.05609	41.9
203.03644	1.1
221.04581	9.9
221.06693	42.4
224.22865	0.8
231.60106	0.7
252.85539	0.7
281.08771	2.9
323.09738	2.7
341.10962	5.6
419.11865	1.1
457.11188	0.8
461.13260	0.9
503.16248	100.0
504.16254	0.8
572.29639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11273	0.5
55.01886	1.3
57.03455	5.7
58.00594	2.9
59.01387	91.1
60.99308	2.8
64.57675	0.6
69.03455	1.6
71.01383	61.0
72.98922	1.3
72.99303	22.1
73.02948	9.8
74.02448	0.9
75.00881	6.4
78.02479	0.6
83.01376	4.4
85.02941	13.3
87.00867	17.7
89.02441	94.5
95.01401	2.7
97.02942	5.8
99.00887	7.3
99.04531	1.1
101.02440	43.8
102.50755	0.7
105.01958	1.1
111.00877	4.3
113.02451	27.3
115.00356	8.9
117.01942	7.5
119.03487	11.5
125.02454	11.9
126.98892	1.1
129.01930	1.2
131.03453	5.0
133.01425	16.1
141.01936	1.0
143.03522	4.9
145.01460	6.9
147.39839	0.6
149.04546	1.7
161.04538	12.3
170.87767	0.6
179.05615	33.7
191.01976	1.7
203.05707	1.1
207.04799	0.7
219.04951	0.8
221.03294	8.2
221.06673	45.3
233.58255	0.8
235.10991	0.7
268.58130	0.8
281.08679	1.3
281.88303	0.8
323.09793	3.7
341.10834	7.6
419.12021	10.2
461.13342	3.6
503.16251	100.0
504.16348	1.1
563.16101	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	563.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03438	1.5
58.00591	1.0
58.99386	0.5
59.01388	70.9
64.59758	0.6
67.02454	0.5
69.03459	0.9
71.01382	54.9
72.99308	2.7
73.02954	7.1
75.01596	0.6
83.01363	3.3
85.02488	0.5
85.02957	14.8
87.00876	20.2
88.86124	0.5
89.02442	77.3
92.12373	1.1
95.01369	3.9
97.02927	2.5
99.00819	0.7
101.02440	39.7
108.16404	0.7
110.56118	0.6
111.00883	18.7
113.01726	1.2
113.02454	22.7
115.04025	0.7
119.03499	12.2
125.02435	3.4
126.98893	5.5
129.01944	0.6
131.03511	3.6
141.00383	0.6
141.01942	0.7
143.03503	6.2
149.04529	1.4
159.06479	0.6
161.04562	10.3
168.99948	1.0
179.05624	38.0
191.02000	12.7
205.21996	0.6
207.04942	0.7
221.06683	36.8
224.96619	1.4
268.95654	0.9
281.08655	2.4
308.64587	0.6
310.96497	3.8
323.09769	4.0
341.10831	6.5
503.16278	100.0
593.06592	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	563.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
57.03445	1.4
59.01388	5.0
61.98829	2.5
63.00441	0.2
63.15673	0.2
71.01389	2.0
73.02930	0.7
73.76611	0.3
79.25445	0.2
85.02951	3.3
89.02432	1.3
93.03482	0.3
99.00885	0.5
99.04480	1.1
101.02425	1.4
108.02152	0.4
108.22854	0.3
109.02971	0.3
111.00931	0.3
113.02425	0.5
117.60118	0.2
119.03498	0.2
119.05039	0.4
121.02953	5.4
122.03734	2.2
123.00869	1.8
123.04510	1.1
124.01691	0.5
125.02406	0.6
129.01974	0.5
133.02950	0.4
135.04497	0.7
136.05276	1.6
137.02464	1.1
143.05016	1.1
146.03735	0.4
147.04515	3.0
149.02452	2.3
150.03230	7.0
151.00343	0.3
151.04042	0.5
153.05588	0.4
153.67024	0.3
158.03723	4.2
159.04509	12.9
160.05293	44.4
161.06075	11.9
163.04013	6.2
164.04803	7.1
164.87575	0.3
165.05521	0.5
166.56787	0.3
167.03528	1.6
168.04260	0.5
173.06062	5.3
174.06830	0.7
175.07640	33.9
176.04709	0.3
176.07736	0.3
176.35414	0.3
177.05562	9.7
178.06355	13.3
179.06787	0.3
179.10788	1.7
192.07935	2.2
193.08727	3.2
221.12061	0.4
253.05089	5.2
269.04449	1.6
297.11893	0.5
314.11743	0.6
329.13983	100.0
330.14331	2.3
359.14893	2.5
401.41049	0.3
459.22177	0.4
501.20190	0.3
563.14264	0.4
563.22937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65074	4.0
51.73982	3.6
54.01354	4.8
59.01400	36.8
67.03357	4.5
71.01384	8.5
74.63108	5.5
76.59055	4.3
81.00777	4.3
85.02944	4.8
87.00888	5.6
94.58019	4.9
97.07748	5.3
103.67017	4.7
106.86308	4.7
107.68502	4.5
137.61313	4.7
171.10277	4.7
224.18631	5.0
297.24496	7.3
315.25397	49.6
347.97943	5.6
459.29590	12.0
477.30832	33.5
519.31805	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	563.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72391	1.3
59.01387	2.0
59.82671	1.5
64.33533	1.4
78.95902	62.4
96.96965	6.7
105.48981	1.6
152.99590	50.6
157.08688	4.0
171.10292	37.8
190.09442	1.8
223.85300	1.6
234.74208	1.9
255.23328	100.0
257.74878	2.0
307.09689	2.8
331.02750	1.8
346.70535	1.7
379.72150	1.8
391.22537	23.9
409.23615	11.3
563.33496	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	564.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83151	0.7
57.67928	0.6
78.95901	51.7
85.02951	0.9
91.25911	0.7
92.12375	1.5
96.51833	0.7
96.96935	4.6
116.92841	1.0
150.98006	1.3
152.51524	0.7
152.99585	100.0
171.00645	1.4
193.21951	0.7
255.23332	22.2
276.02820	3.7
308.05365	3.6
387.39322	0.9
391.22693	1.2
409.23764	2.9
564.29541	38.7
565.30743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39143	0.3
59.01368	0.6
59.40921	0.4
61.98847	0.3
64.36336	0.3
72.20775	0.3
78.95901	21.9
134.98447	0.4
152.99603	4.0
168.04312	3.8
180.19882	0.4
191.02823	0.4
224.06956	8.4
242.07976	2.2
248.79037	0.3
261.22318	0.8
272.22900	0.4
279.23309	100.0
280.23752	2.3
292.16635	0.4
504.31049	57.2
505.31375	0.9
576.05798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83414	0.7
55.01873	0.7
55.97541	0.6
59.01109	1.1
59.01388	22.8
61.98827	1.7
62.00465	0.7
66.10325	0.7
72.63435	0.7
73.20822	0.8
73.94343	0.6
74.46094	0.6
77.92062	0.7
78.95900	22.7
83.03062	0.7
84.61073	0.8
85.02941	3.1
91.04039	0.6
92.67087	0.7
115.20984	0.7
120.90040	0.7
152.99568	4.1
168.04335	3.5
183.94508	0.9
191.02028	0.8
224.06938	8.4
253.04939	0.8
265.21750	100.0
334.11606	1.0
490.29456	60.2
491.91849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54741	0.4
59.01397	0.4
78.95898	7.0
83.62976	0.5
85.02950	0.7
109.92987	0.4
113.11359	0.5
149.67976	0.4
152.99608	1.7
155.82848	0.5
168.04378	1.7
208.47348	0.4
224.06985	0.7
242.07889	1.6
252.35030	0.5
279.23312	100.0
280.23746	0.9
504.31021	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.1
57.03458	24.4
59.01389	4.1
64.00440	0.4
67.01849	0.4
68.99844	0.8
71.01375	3.2
72.99336	0.5
73.02929	0.5
74.35319	0.4
79.18970	0.4
83.01400	6.6
84.02163	2.5
85.02953	100.0
87.00861	1.0
101.02450	0.9
106.00648	0.8
111.00877	11.1
115.57621	0.5
117.03469	2.6
121.02957	15.0
121.03782	0.8
123.00892	1.0
123.04521	0.6
127.00275	0.6
129.01942	31.7
134.03746	26.4
134.04778	0.8
136.98769	0.6
137.02461	0.7
138.03270	1.1
139.00401	1.0
139.04018	0.8
147.03009	8.8
149.02472	1.0
149.06087	2.8
153.05597	9.8
160.01691	3.7
162.03246	0.5
166.99931	0.8
167.03590	1.1
168.25436	0.5
173.00935	8.5
175.03995	5.4
178.02846	0.6
182.02217	2.7
191.02003	7.2
192.04080	0.4
193.05067	12.8
197.04568	15.4
197.06302	0.8
209.03069	1.6
221.69606	0.4
222.05328	0.7
223.06030	1.1
237.07664	0.8
261.07800	1.0
265.07321	4.2
323.07840	0.7
327.07245	4.8
331.62320	0.5
366.85593	0.5
367.06818	1.9
371.06406	2.4
385.07938	2.0
389.07492	2.3
468.36218	0.5
517.52405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	5.8
56.50986	0.5
57.03193	1.0
57.03457	21.3
59.01389	4.1
71.01380	3.1
72.74034	0.5
72.99286	0.9
73.02911	0.7
83.01379	4.6
84.02161	2.7
85.02946	100.0
103.00346	0.7
106.00592	0.6
107.67791	0.6
111.00879	9.2
117.03458	1.2
121.02932	4.5
129.01930	24.8
134.03738	16.2
138.03230	1.1
138.39406	0.6
139.00359	0.7
139.04012	0.8
147.02991	9.0
149.02411	1.2
149.06065	0.7
151.79103	0.6
153.05580	4.9
164.04761	0.7
167.03427	1.2
173.00917	7.0
175.04065	0.8
178.02597	0.7
182.02217	1.4
191.01968	12.3
193.05035	9.5
197.04556	8.3
209.03046	4.0
216.25809	0.6
222.05263	0.7
236.53598	0.6
253.05038	3.6
254.05441	3.1
265.07190	2.5
302.62802	0.7
327.07111	5.0
371.06064	1.1
385.07712	1.0
389.07266	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	565.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18701	0.3
55.01890	5.3
57.03459	23.9
59.01382	2.7
71.01386	3.1
73.02948	0.5
75.00879	0.6
78.94678	0.3
81.66768	0.4
81.67342	0.3
83.01399	6.3
84.02168	1.9
85.02949	100.0
85.48450	0.4
87.00883	0.6
91.01876	0.4
102.94517	0.4
108.02175	0.5
111.00881	11.1
117.03466	2.3
121.02947	11.6
121.03775	0.6
123.00892	2.3
123.04531	0.4
129.01939	30.7
132.58127	0.4
134.03734	28.5
136.98740	0.4
137.02409	0.8
138.03261	1.9
139.00385	1.7
139.03995	0.6
147.03014	9.2
149.02484	1.0
149.06108	1.9
153.05566	6.9
160.01656	3.0
166.99959	0.8
167.03514	0.9
173.00945	8.6
175.04059	3.3
178.02783	2.0
182.02299	3.2
191.01971	6.7
193.05063	18.3
197.04561	14.8
209.03017	0.8
223.06119	0.5
237.07513	0.4
261.07687	1.6
265.07205	3.7
323.07568	0.6
327.07318	4.2
367.06714	2.3
371.06204	0.9
385.07959	0.6
389.07263	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	565.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33324	0.4
54.82663	0.5
55.01890	3.2
57.03191	1.0
57.03463	22.2
59.01381	3.0
71.01382	2.3
71.31027	0.4
72.99294	0.6
75.00858	0.6
83.01389	7.5
84.02171	2.7
85.02951	100.0
103.00380	0.6
111.00876	13.5
117.03459	3.7
121.02928	9.0
129.01930	30.7
134.03726	29.1
137.02441	1.0
138.03232	1.1
139.00381	1.9
139.03986	0.9
147.03006	11.6
149.06073	2.8
153.05560	6.0
160.01677	1.1
165.48375	0.6
166.99849	1.2
170.66626	0.5
173.00908	10.1
175.04005	2.0
178.02678	0.6
182.02269	2.6
191.01941	9.5
193.05060	19.6
197.04559	11.7
209.02997	1.1
222.05270	0.8
261.07623	0.7
265.07132	4.6
323.07788	0.8
327.07278	8.0
367.06677	3.0
371.06335	1.2
385.07788	2.6
389.07495	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	565.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	4.3
56.09266	0.3
57.03455	21.8
57.36219	0.3
59.01384	4.5
59.41936	0.3
61.98827	1.7
64.03121	0.3
67.01889	0.3
68.19278	0.3
68.99803	0.6
71.01375	2.4
72.99300	0.7
73.02937	0.5
74.01948	0.3
75.66864	0.3
83.01377	6.1
84.02163	1.7
85.02949	100.0
87.00864	0.9
89.00322	0.6
91.01931	0.4
92.11703	2.0
101.02444	0.6
101.40590	0.4
103.00386	0.5
106.00569	0.5
111.00117	0.4
111.00871	12.1
121.02947	16.9
121.03775	0.8
123.00887	0.9
129.01935	18.5
133.93523	0.4
134.03734	12.4
138.03256	2.1
139.00365	0.7
139.04062	0.6
145.79329	0.4
147.03006	10.5
147.99916	0.4
149.06070	2.2
153.05577	10.1
153.06720	0.6
160.01657	2.5
173.00897	6.6
175.04024	4.5
178.02744	0.6
182.02235	2.0
191.01970	12.4
191.03696	0.5
193.05055	7.7
197.04564	18.2
207.06628	0.5
209.03099	2.2
220.43065	0.4
223.05824	0.5
237.07906	0.4
253.05124	5.2
254.05463	4.8
261.07782	1.9
265.07156	4.4
301.14709	0.4
323.08054	0.5
327.07281	4.9
371.06345	2.8
385.07776	0.5
389.07455	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56731	0.3
55.01883	1.5
57.03196	0.5
57.03457	9.6
59.01388	12.4
64.66388	0.3
71.01401	4.1
73.02932	3.0
75.00864	0.4
80.49631	0.4
83.01394	3.5
85.02956	24.7
87.00885	0.7
88.98792	0.6
89.02451	0.8
92.65673	0.4
92.66339	0.4
96.96004	0.8
97.02932	0.4
99.00871	1.4
99.04530	3.8
101.02444	3.2
107.05022	2.3
108.02194	0.5
109.02956	0.6
111.00886	3.0
112.98567	0.5
113.02466	1.7
121.02953	2.0
123.04514	0.6
124.01641	0.4
125.02442	2.2
129.01941	7.4
134.03746	8.1
135.04521	100.0
137.02361	0.5
137.09718	2.3
138.03326	0.4
139.00352	0.5
147.03018	2.0
149.02429	0.4
152.01086	0.4
153.05589	1.5
157.14813	0.4
160.01714	0.6
161.04520	0.4
163.07654	2.5
165.05542	1.6
167.03531	1.5
172.65868	0.4
173.00906	1.8
175.03992	0.4
179.03502	11.2
179.10762	1.8
180.56049	0.4
181.08705	2.2
183.23248	0.4
191.02020	1.9
193.05070	4.3
194.05426	0.9
197.04575	2.5
197.11809	0.6
223.09825	1.8
241.10854	0.6
247.09740	0.6
265.06958	0.4
265.10611	0.7
299.09244	0.5
300.09726	0.5
301.10074	0.4
327.07260	0.9
385.15134	2.3
389.07516	0.6
412.59305	0.4
427.19577	0.4
521.20209	23.3
529.23096	1.8
565.19189	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	565.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18329	0.7
50.83637	0.9
51.52946	0.7
54.15932	0.8
54.82224	0.8
55.01886	1.6
57.03460	12.9
59.01387	100.0
62.96550	0.7
67.05521	1.3
71.01385	18.7
73.02924	1.9
73.13895	0.8
83.01382	3.6
83.05006	1.5
84.30928	0.9
85.02473	1.3
85.02949	22.2
87.00865	11.4
88.98854	0.9
89.02442	20.7
97.02934	1.5
99.04504	4.5
101.02425	9.3
101.47531	0.9
107.05096	1.0
111.00880	1.9
113.02422	8.2
119.03467	2.4
119.08649	4.9
121.02946	1.6
129.01923	5.2
133.10222	4.0
134.03714	3.7
135.08154	5.3
135.11865	2.2
137.09695	17.1
137.12883	0.9
159.11732	3.3
161.09737	8.3
163.07686	7.3
163.11275	1.2
169.86069	1.2
177.12891	1.2
179.05597	1.3
179.10799	8.5
181.08688	17.0
197.04617	2.2
197.11836	54.9
205.08707	1.2
221.11913	2.2
223.09790	15.6
241.10820	45.1
265.10980	1.7
283.11905	27.0
313.12973	4.5
341.11102	1.8
343.14017	43.8
403.16138	86.9
404.16431	4.4
544.58954	1.2
565.21436	62.2
566.21887	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	565.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.7
57.03458	59.2
59.01388	59.9
66.45078	0.6
69.03458	1.1
71.01383	48.0
72.99302	1.3
73.02944	24.9
75.00860	1.3
77.26602	0.6
81.03449	0.6
82.91634	0.7
83.01389	8.9
85.02949	33.1
86.26159	0.6
87.00861	1.3
87.04478	0.6
89.02435	10.4
92.11750	1.2
95.01389	4.8
97.02948	1.1
98.21649	0.6
99.00883	13.1
99.04522	7.0
101.02438	42.2
111.00866	1.6
112.01640	0.8
113.01708	1.5
113.02442	25.4
116.33290	0.7
119.03493	0.8
121.02948	0.8
125.02408	5.1
127.11288	2.8
129.01918	2.7
131.03493	1.7
134.03711	1.0
143.03494	3.7
149.48735	0.6
152.07201	0.7
159.03003	5.2
161.04558	19.5
162.05049	0.7
190.35783	0.7
193.05159	0.7
204.39761	0.6
289.16559	17.1
327.44702	0.7
331.17746	1.0
355.78220	0.9
403.19794	3.6
421.20868	100.0
422.21179	1.3
463.21921	47.8
503.24954	10.4
565.25085	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	565.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94616	0.4
59.01377	0.7
59.22778	0.4
70.29567	0.4
71.01367	0.7
75.00850	0.6
78.95902	17.6
85.02947	2.2
92.72472	0.5
96.96941	2.0
113.02435	0.9
117.90429	0.5
152.99590	32.6
158.86674	0.5
171.00636	1.1
227.03304	2.6
245.04228	0.7
255.23314	100.0
256.23718	2.5
279.23285	3.0
290.16547	0.5
353.64844	0.6
391.43567	0.6
429.18207	0.6
444.62167	0.6
483.27350	69.0
484.27655	2.2
529.30560	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	567.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43630	0.4
55.01889	8.4
57.03459	18.3
59.01141	0.4
59.01393	7.2
60.13768	0.3
65.00317	0.8
67.01904	2.8
67.02193	0.4
68.99805	0.7
71.01394	6.3
72.99303	1.7
73.02950	2.5
75.00858	0.4
81.03468	0.4
83.01404	14.2
84.02176	1.8
85.02964	76.3
87.00853	0.7
89.02464	0.6
91.01891	4.2
92.11781	0.6
95.01383	1.6
99.00903	2.3
99.04514	0.4
101.02444	3.6
108.02183	13.3
109.02980	3.2
109.82188	0.4
111.00890	24.8
113.02447	2.4
115.05547	0.8
121.02956	100.0
123.00890	7.3
123.04530	22.7
124.01672	5.8
125.02445	1.5
129.01942	13.7
131.05025	5.6
133.02969	2.6
133.06599	19.0
135.04547	1.7
136.01660	2.7
143.05038	2.2
146.03714	0.7
147.04515	0.7
150.72148	0.5
151.04045	2.2
152.01154	11.1
154.99849	0.9
159.04518	5.2
159.84607	0.4
161.04756	1.2
161.06078	20.9
163.04015	2.6
164.04819	1.9
166.02733	5.3
167.03502	36.9
173.00972	0.8
174.03180	3.1
175.03981	0.8
176.04788	0.6
182.70615	0.4
186.34322	0.4
187.03976	0.7
189.05577	25.9
191.03575	0.4
192.04309	9.2
195.43961	0.4
202.02785	1.0
207.06671	10.2
220.03780	1.8
233.04620	6.9
235.06142	26.6
251.05673	1.9
259.02393	0.5
277.03543	2.6
279.05115	3.4
291.18219	2.7
295.04584	1.5
323.04190	2.0
401.09094	1.7
423.10977	0.5
423.22372	6.7
465.23468	3.2
533.91016	0.4
567.26910	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	567.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90836	0.5
55.01887	8.5
57.03456	5.6
59.01392	4.6
65.00323	1.0
67.01886	0.5
68.99812	0.9
71.01379	3.1
72.99306	2.5
74.89838	0.5
83.01385	16.8
85.02949	32.2
87.00889	0.8
91.01890	9.2
99.00882	2.0
108.02180	19.0
109.02957	0.9
111.00878	34.7
115.05546	2.3
121.02948	100.0
123.00870	2.8
123.04508	36.3
123.05412	1.2
124.01643	2.8
129.01949	7.2
131.05020	9.7
133.02980	3.2
133.06587	39.2
143.05035	6.2
147.04501	0.9
152.01164	38.0
154.11595	0.5
154.99788	0.8
159.04535	5.3
161.06081	34.5
166.02669	2.0
167.03494	76.1
187.04024	0.9
189.05576	23.2
192.04301	3.9
207.06693	3.6
233.04594	7.9
235.06129	9.7
251.05728	0.8
259.02344	0.7
277.03577	2.6
279.05099	1.2
323.04037	3.4
358.79230	0.6
519.75208	0.7
537.26068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40236	0.8
55.01896	7.1
57.03459	63.3
59.01389	76.9
61.38218	0.6
71.01385	44.0
71.30577	0.7
72.99304	1.5
73.02949	26.8
75.00872	1.2
76.82901	0.7
78.95911	1.0
83.01374	11.0
85.02465	1.5
85.02949	32.2
86.00103	1.1
87.00858	1.7
88.79920	0.7
89.02439	11.7
91.80466	0.7
95.01376	4.1
97.02940	1.4
99.00877	12.5
99.04537	6.5
101.01767	1.9
101.02437	54.5
103.14242	0.8
108.02140	1.0
111.00863	1.9
112.01653	1.2
113.02448	24.9
113.03242	1.0
113.12337	0.9
121.02962	7.1
123.04539	1.4
125.02415	5.5
129.01891	1.9
131.03516	1.6
143.03500	1.7
146.35851	0.8
159.03008	5.5
161.04550	18.8
161.05876	1.3
167.03450	1.4
171.14256	0.7
207.06856	0.9
235.06255	0.8
238.49077	0.8
262.52286	0.8
263.86368	0.7
291.18164	33.2
297.60818	0.8
308.74432	0.8
405.21222	1.2
423.22421	100.0
424.22870	1.4
465.23477	45.2
505.26614	12.3
536.77557	1.4
567.26642	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61793	0.3
59.01389	19.3
78.95905	16.8
92.11695	0.6
96.96925	0.4
98.97415	0.4
107.71659	0.3
111.50914	0.4
117.96026	0.3
147.51419	0.3
152.99556	3.0
168.04260	3.6
224.06973	7.7
239.43605	0.3
242.08006	2.3
269.24875	100.0
270.25165	0.8
494.32593	53.8
495.33224	0.4
546.25104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65352	0.3
53.10782	0.4
55.01891	4.1
57.03458	23.5
59.01388	9.4
61.50291	0.4
64.34477	0.4
68.99837	0.6
71.01380	6.9
72.99300	0.8
73.02937	2.3
76.60786	0.4
77.73028	0.5
83.01385	9.1
84.02171	2.3
85.02950	100.0
85.95411	0.4
86.03255	0.8
87.00869	0.7
89.00309	0.6
89.02444	2.0
99.00910	0.7
100.74229	0.4
101.02432	2.7
106.00599	0.7
111.00871	12.8
115.00405	0.5
119.03523	0.4
121.02954	17.0
123.00899	2.7
127.00324	0.4
129.01932	31.5
138.03241	3.0
139.00409	2.1
139.04007	1.8
147.02994	7.7
149.02435	0.6
153.05569	13.0
166.99879	0.9
173.00911	8.6
181.01556	0.5
181.73204	0.5
182.02216	3.9
189.07722	0.6
191.01993	4.9
197.04562	19.0
197.06291	0.8
222.05157	0.6
225.42795	0.6
237.07724	0.8
258.85629	0.4
265.07104	3.9
268.87527	0.5
321.22678	1.6
327.07217	8.0
371.06247	4.3
387.16763	1.7
389.07339	2.8
391.82666	0.5
465.27118	4.7
483.28088	2.2
569.25354	0.6
583.02466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78109	0.4
55.01890	6.0
57.03457	27.7
59.01381	2.6
59.80252	0.4
64.10202	0.4
64.34846	0.4
67.01916	0.5
68.99818	0.5
71.01396	3.7
72.99326	0.4
73.02963	0.6
83.01405	6.1
83.01869	0.7
84.02174	0.9
85.02953	100.0
87.00888	0.6
89.00364	1.0
91.01873	0.8
95.43768	0.4
101.02477	0.6
106.00603	1.9
108.59050	0.5
111.00890	10.5
121.02958	31.2
123.00867	3.6
127.00341	0.7
129.01944	39.0
136.98831	0.6
137.02467	0.7
138.03230	4.5
139.00357	3.2
139.04051	2.1
147.03015	7.5
153.05583	22.0
156.34862	0.5
166.99884	2.8
173.00925	5.1
176.98320	0.5
182.02220	7.7
191.01997	5.2
197.04579	37.1
211.06137	0.9
220.48903	0.4
222.05418	2.2
232.03873	0.7
237.07579	0.7
262.58032	0.5
265.07208	8.1
327.07245	8.2
366.58392	0.5
371.06146	3.8
389.07245	4.8
574.46106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35185	1.0
57.03465	3.5
59.01386	46.9
63.01022	1.0
69.03447	1.7
71.01381	19.9
72.99281	1.4
73.02946	24.2
81.03464	1.2
83.01370	6.9
84.79156	0.8
85.02940	10.2
87.00853	1.3
89.02434	8.2
99.00845	1.2
100.20767	1.1
101.02430	18.4
111.00838	1.9
113.02420	4.3
116.92857	9.0
119.03470	1.2
121.06573	1.2
123.04499	2.2
127.03980	1.0
129.01913	3.7
134.52931	0.9
137.83101	0.9
152.01135	1.2
167.03465	4.8
185.11784	1.5
241.15996	5.4
257.15576	1.6
259.17136	1.8
269.04538	4.6
285.14929	13.6
303.16040	41.9
321.16989	1.3
525.23462	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	569.2259
Annotation	TMC 2A
Peak:m/z	Relative Intensity
58.00626	0.4
58.02972	3.0
59.01378	2.5
67.03011	0.6
69.31937	0.3
70.02988	0.9
71.01387	0.7
71.82248	0.3
72.00908	6.9
73.04066	3.7
74.06831	0.4
82.02978	13.9
82.03437	0.8
84.04546	8.6
85.02937	0.7
85.04048	0.5
91.05527	2.6
91.36312	0.4
97.04031	1.2
98.02473	0.5
99.02011	0.6
99.05618	1.0
101.07175	1.6
103.29395	0.4
107.02510	0.5
109.04073	9.4
109.07717	2.3
110.02482	2.4
112.04041	3.3
113.02465	0.4
113.07153	0.4
116.05069	1.8
117.07117	0.5
118.06618	2.6
123.03284	0.6
127.05127	31.0
128.03531	100.0
129.01926	0.4
135.04529	4.8
140.05791	0.4
140.08302	2.7
147.04524	28.6
151.08734	0.7
153.06754	1.6
158.09407	0.5
162.05621	0.7
164.07170	46.6
165.05576	0.9
165.07547	0.6
167.08244	0.8
170.09586	0.5
180.83829	0.4
187.63065	0.4
194.09352	6.8
195.07715	1.7
211.12079	0.5
212.10469	3.9
213.10451	0.7
214.08780	0.9
218.08350	0.4
229.09761	0.5
231.11389	0.8
238.08302	1.8
239.04399	0.5
239.06784	12.3
247.10602	0.4
249.12650	0.4
257.09274	2.5
269.04517	0.6
275.10413	13.6
293.11511	0.8
293.69302	0.4
342.14664	3.0
360.15817	0.7
370.95801	0.4
378.18274	0.5
386.13571	7.6
404.14658	13.4
405.14783	0.5
422.17410	0.6
507.22372	0.5
511.30212	0.5
542.12170	0.4
551.21613	11.4
569.22583	56.3
570.22614	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	569.274
Annotation	Ganoderic acid F
Peak:m/z	Relative Intensity
58.15675	0.7
58.38014	0.8
59.01373	4.7
59.04409	0.8
60.62719	0.8
78.95908	67.8
94.28796	0.8
96.96962	14.9
148.43230	0.9
152.99590	66.2
211.40727	0.9
223.00177	1.7
241.01201	35.8
253.21724	100.0
269.21252	4.0
270.21591	1.2
315.04962	9.2
389.21069	1.6
569.27374	90.8
581.53632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44206	0.3
59.01396	1.2
80.52110	0.3
87.00871	100.0
102.94372	5.4
111.00878	2.9
117.01913	0.6
142.97520	19.8
156.99069	0.5
160.98627	0.6
166.97501	12.5
168.95433	4.9
184.98528	1.5
186.96484	3.0
191.02054	0.7
228.97560	61.3
229.97818	0.4
523.11517	0.4
571.09296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99337	0.4
63.67305	0.4
75.87739	0.4
78.95903	73.1
96.96955	18.5
102.97644	0.5
117.54076	0.4
150.98029	2.3
152.99596	69.8
161.87238	0.4
223.00159	2.4
240.98694	0.6
241.01218	36.2
255.23320	93.3
307.73318	0.5
315.04916	7.4
363.17462	0.5
374.11243	0.7
391.22485	3.7
416.88696	0.6
449.18857	0.5
553.33051	0.5
571.28986	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	571.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82316	0.5
77.79585	0.4
78.71307	0.4
78.95901	68.5
96.96964	16.9
135.63065	0.5
150.98102	1.1
152.99599	69.7
158.01405	0.5
171.00694	1.7
223.00169	5.7
241.01215	31.4
248.56316	0.4
255.23329	98.2
261.59354	0.5
288.00247	0.4
315.04858	8.0
317.89978	0.5
332.31601	0.4
391.22839	3.1
444.53827	0.4
571.28961	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	571.29
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
59.01367	1.3
61.98824	0.8
78.95899	100.0
85.02968	0.9
92.65735	0.9
96.96944	18.0
150.98076	1.2
152.99590	93.9
157.08789	1.3
157.12337	49.6
171.00635	12.8
211.21503	0.8
223.00124	14.9
241.01201	19.0
246.44725	0.7
255.23343	18.0
259.02313	1.0
290.44678	0.7
314.47180	0.8
315.04901	1.7
333.05942	7.9
479.24225	0.9
571.28925	78.3
572.29523	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	571.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03459	2.6
57.74346	0.4
59.01387	100.0
63.62844	0.5
69.03452	0.4
70.39250	0.4
71.01385	15.6
71.01761	0.8
73.02950	4.3
75.00875	0.9
83.01381	3.7
85.02945	11.1
87.00889	1.8
87.04522	1.9
89.02447	2.8
95.01406	0.8
99.00872	3.3
101.02441	8.5
111.00876	3.6
113.02455	10.2
125.02493	0.6
131.03568	0.5
139.00420	1.7
143.03535	0.5
155.85971	0.4
159.03017	0.8
161.04614	2.6
323.25925	0.8
353.63428	0.5
467.30200	20.7
468.31119	0.5
470.23721	0.7
485.31180	10.0
504.24777	0.7
519.26385	0.5
527.32428	3.1
540.26202	0.6
540.76471	2.4
541.26404	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	571.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.03448	1.6
57.16972	0.8
57.64205	0.8
59.01388	100.0
63.33471	0.8
71.01391	11.2
73.02937	5.5
77.93202	0.9
83.01366	1.1
85.02940	7.4
87.00886	1.1
89.02450	1.1
92.12473	1.6
97.02909	0.9
99.00893	1.1
101.02428	5.9
103.74529	1.0
113.02430	7.1
119.03520	1.0
124.06370	0.8
144.53546	1.0
161.04536	1.0
190.47467	1.1
206.23683	1.0
228.94122	1.1
467.30249	16.1
485.31107	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	571.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82075	1.2
54.82344	1.5
59.01389	100.0
59.89698	1.3
71.01392	17.3
72.15957	1.3
73.02924	7.7
73.37012	1.3
83.01411	1.9
85.02933	9.8
89.02434	8.3
95.01400	2.0
99.00898	1.8
101.02442	12.2
113.02412	9.0
124.16576	1.6
126.12026	1.4
139.83449	1.8
140.53079	1.4
161.04501	3.4
389.25006	1.6
467.30106	24.4
485.31354	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	571.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
78.95905	10.9
84.93903	0.1
92.11746	0.1
96.96958	1.9
109.53548	0.1
152.98332	0.3
152.99593	10.2
157.12341	100.0
158.12668	1.3
161.26541	0.1
171.00664	1.3
173.22258	0.1
223.00159	1.8
241.01152	2.0
255.23254	1.5
257.06879	0.1
315.04950	0.2
333.06012	1.0
353.35010	0.1
444.45749	0.1
455.33377	0.1
504.48578	0.2
571.19928	0.2
571.28992	6.7
572.28784	0.2
580.77881	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	571.3392
Annotation	dolichyl-4-D-xylosyl phosphate
Peak:m/z	Relative Intensity
55.14947	0.9
58.02980	4.2
60.00544	0.9
61.98829	1.7
66.16695	0.8
70.02953	1.5
72.00916	9.9
74.02470	4.1
74.90278	0.9
78.95908	10.4
84.04535	4.6
93.03458	9.1
96.96995	1.5
100.06429	1.0
101.07227	2.1
109.04085	7.3
112.04008	1.1
119.05020	31.4
125.63259	1.0
127.05125	28.9
128.03535	87.6
134.06044	1.0
141.06665	4.9
152.99596	10.2
163.04024	27.0
167.04639	1.6
180.06664	100.0
185.05704	1.1
190.90205	1.0
221.12943	2.3
241.01311	1.7
247.10893	6.9
255.23317	15.2
265.11826	2.0
273.08896	7.0
279.23404	1.9
291.09918	14.2
345.29135	4.1
390.26523	14.3
403.30255	1.4
509.34073	1.6
553.32898	26.9
571.34698	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	571.495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20786	0.1
69.57235	0.1
71.31176	0.1
75.71655	0.1
86.76083	0.1
100.25666	0.2
101.12362	0.1
109.92416	0.2
178.02298	0.1
201.66489	0.1
223.20691	0.2
241.21756	100.0
242.22087	2.6
246.16866	0.2
447.07193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83225	0.3
55.01885	0.4
57.03448	0.5
59.01117	0.9
59.01387	18.4
59.12256	0.4
65.13649	0.3
68.99819	0.3
71.01381	5.8
72.99268	0.4
73.02936	2.2
73.54528	0.4
75.00853	0.4
78.22593	0.3
83.01392	0.9
85.02953	2.9
87.00845	0.6
89.02437	2.1
92.11780	0.5
99.00876	0.9
101.02422	2.6
101.55772	0.3
107.90271	0.4
111.00890	0.8
113.02432	2.1
115.00337	0.9
119.03463	0.5
130.08730	100.0
133.01395	0.5
143.03497	0.5
179.19096	0.4
182.91750	0.4
230.72134	0.4
358.15436	0.5
468.26227	0.9
486.27176	5.1
490.23782	1.8
528.28192	64.5
529.28400	0.5
533.25391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.3
57.02648	0.5
57.02872	1.1
57.03457	15.7
58.00603	0.4
58.59574	0.4
59.01387	27.8
69.03455	1.9
71.01382	9.7
71.05011	2.4
72.99320	2.2
73.02943	1.9
81.03004	0.7
81.03458	16.1
83.01384	17.7
83.05017	0.7
84.02161	2.9
85.02950	57.4
87.00868	0.6
89.02459	6.9
89.03929	0.8
90.40785	0.4
92.12368	1.1
93.03446	2.4
95.01348	0.8
97.02949	1.1
99.00878	0.5
99.04510	18.0
101.02441	6.3
109.02962	0.8
111.00877	25.0
113.02451	3.0
117.03455	14.5
119.03575	3.1
119.05019	100.0
123.08124	0.8
125.02425	1.1
127.04012	20.0
129.01933	22.2
134.03732	51.6
137.02437	2.1
139.04008	0.6
145.02962	47.8
147.03021	2.2
147.04538	1.2
149.06078	5.5
159.08257	1.7
160.01698	3.1
161.04601	0.5
161.06114	0.6
163.04007	55.9
171.02994	9.0
173.00896	1.1
175.03972	4.3
178.02728	7.4
187.04037	1.9
187.07655	5.7
189.04128	2.0
193.05061	42.9
203.07173	2.3
204.14958	0.6
215.02040	3.1
231.06656	4.9
259.17090	2.4
261.07553	0.8
271.16974	1.0
319.04678	2.1
333.17108	21.7
335.07794	0.9
427.08881	0.6
428.20038	1.1
429.20508	0.7
470.20963	0.6
513.23438	35.8
572.24152	1.0
573.23907	0.8
601.70251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51125	0.2
59.01387	15.5
64.34330	0.3
71.01385	3.5
73.02937	1.1
78.95901	3.0
83.01381	0.4
85.02924	1.1
87.00898	0.3
89.02457	3.1
91.03992	0.3
92.11735	0.5
96.96004	0.4
96.96958	0.3
101.02446	3.7
113.02441	1.7
114.72909	0.2
116.92847	5.0
119.03493	0.5
152.99608	3.0
155.74911	0.3
161.04591	1.4
170.60393	0.3
179.05751	0.3
233.22662	0.4
235.08177	1.2
242.01442	0.3
247.79288	0.2
253.06645	0.4
253.09274	10.1
255.23354	0.4
257.23663	0.4
277.21738	100.0
278.22089	3.4
573.29742	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	573.402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14115	0.1
51.69003	0.1
54.61348	0.1
55.01876	0.1
57.03451	1.5
59.01386	1.3
66.85049	0.1
69.03457	0.2
69.50589	0.1
71.01367	0.2
71.05018	9.3
85.06594	1.3
87.04501	0.5
94.15532	0.1
116.92832	1.2
140.07048	0.1
181.15965	0.8
183.17534	8.9
197.19119	11.5
209.19165	0.6
225.22253	20.2
226.22516	0.2
227.23903	0.2
253.21736	2.2
269.21277	1.8
271.22806	100.0
272.23141	1.9
328.70538	0.1
537.33765	0.2
577.06921	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	574.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38893	0.4
55.01875	3.0
57.03194	0.9
57.03453	17.9
59.01378	7.9
60.48557	0.4
64.34047	0.5
71.01380	4.7
71.05015	0.5
72.99305	1.0
74.23352	0.5
75.00872	2.3
83.01378	2.1
84.02151	2.4
85.02944	100.0
86.03265	0.7
87.00864	0.8
88.04031	4.2
100.75890	0.5
101.02431	1.1
103.00345	0.9
111.00880	4.5
114.77665	0.5
119.05004	3.2
129.01936	8.2
146.08224	2.2
147.02971	9.0
162.89107	0.5
163.04039	3.6
173.00868	1.0
191.01976	27.8
209.03008	14.0
218.10405	2.4
337.05762	1.9
355.06735	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	574.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60601	1.0
61.72145	1.1
61.98834	3.1
68.12227	1.2
78.95901	100.0
79.95147	1.5
80.29890	1.3
82.79166	1.4
85.04072	3.2
94.48473	1.3
95.31381	1.3
96.96000	5.7
96.96969	5.5
98.95557	1.6
99.92562	13.1
114.94923	2.4
115.92046	11.3
116.92854	5.7
121.71952	1.5
128.03532	7.7
141.96022	10.5
150.98079	1.9
152.08296	1.4
152.99603	40.2
157.06177	3.0
178.88474	1.5
179.89201	19.6
180.90010	8.0
181.90781	7.6
192.00645	1.7
196.89503	35.8
204.92465	1.6
205.93182	3.3
222.93423	5.3
235.91914	2.5
277.21637	11.6
286.10675	1.8
320.09274	9.0
431.21829	6.1
497.14392	2.7
514.14441	5.3
538.16656	12.8
556.17810	8.7
565.23376	1.4
570.15509	2.5
574.18811	26.6
574.32080	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83192	0.3
56.17376	0.3
56.45279	0.3
58.46671	0.3
65.95768	0.3
77.00021	0.3
78.95917	0.7
83.32990	0.3
92.73101	0.3
96.96029	0.3
119.05016	0.6
121.02952	100.0
144.03732	0.3
147.04521	5.5
152.99655	0.7
181.06621	1.3
191.03526	54.5
197.06131	0.4
219.75949	0.4
225.05638	0.7
313.07138	0.6
322.69879	0.4
357.05890	0.5
379.08096	0.4
383.07932	0.8
549.28479	0.4
575.12140	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	575.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53992	0.1
57.03456	11.9
59.01114	0.3
59.01387	7.7
63.02387	0.7
65.00320	0.7
71.01382	1.2
73.02932	0.4
75.00867	0.2
81.03452	0.3
82.16942	0.2
82.71864	0.2
83.01396	0.2
85.02934	0.9
89.00269	0.2
91.01868	0.4
93.03450	0.2
99.00868	0.2
99.04513	6.4
101.02436	3.2
107.01378	1.0
108.02189	0.3
113.02438	0.8
123.04526	0.6
125.02431	7.1
132.02132	0.3
133.02956	2.5
135.00858	0.3
135.04536	0.2
136.01619	0.2
143.03430	0.2
152.01071	0.2
157.02885	0.3
157.26947	0.2
159.04544	1.4
161.02438	0.3
163.54932	0.2
167.03531	1.0
169.06541	0.4
171.49385	0.2
171.56107	0.2
180.05826	0.3
181.06587	1.1
183.04504	1.0
190.79175	0.2
195.04626	0.3
195.06543	0.2
196.05257	0.2
197.06134	0.3
199.04024	0.3
201.05588	1.6
203.05646	0.3
209.06125	0.2
211.03970	0.2
213.05592	0.2
223.03996	0.2
224.04831	1.2
225.05608	1.2
227.03633	0.3
239.03540	0.4
240.04308	0.3
241.05171	0.3
253.05014	0.9
267.03021	0.3
268.03778	5.1
269.04572	100.0
270.04755	0.6
271.06113	0.3
283.06165	0.3
305.08823	1.1
311.05576	1.5
353.10208	0.3
431.09906	3.3
436.74786	0.2
473.10999	1.1
531.28693	0.3
575.17603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04841	0.8
52.90520	0.8
55.01888	9.0
55.06915	1.0
57.03448	5.8
59.01377	11.7
67.01875	1.1
68.98134	0.9
71.01376	5.5
72.99300	2.1
75.00846	1.1
75.31212	0.9
83.01383	22.4
83.05015	1.8
84.02172	3.8
85.02943	30.1
87.00880	1.4
89.00302	1.8
89.02432	0.9
91.73109	1.0
93.03467	4.5
95.01376	1.2
95.23375	0.9
99.00885	1.4
99.04506	34.9
106.00597	2.2
109.02931	4.0
109.06573	20.1
110.03721	1.8
111.00875	33.2
111.04520	5.6
111.08163	5.2
114.39448	1.1
120.52910	1.1
121.02939	100.0
121.06554	10.2
123.00864	8.7
123.04482	2.5
127.00397	1.3
129.01913	7.3
133.06567	4.0
136.98776	1.2
137.02451	1.8
137.06117	1.2
138.03226	7.4
139.00374	5.8
139.04030	3.9
139.07642	25.2
149.06110	1.6
153.05574	35.3
161.06046	1.7
166.99895	7.5
167.07111	11.6
182.02200	23.5
189.05577	5.3
197.04549	69.8
209.09918	1.0
211.06204	10.0
222.05330	1.1
237.07661	1.3
255.05167	1.3
265.07162	13.2
268.03998	1.4
269.04449	1.6
270.25696	1.3
516.24023	1.1
531.28265	2.3
537.37646	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	575.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.3
56.10954	1.0
57.03458	15.7
59.01384	61.9
61.20142	0.9
61.48536	1.0
65.11400	1.0
65.51454	0.8
67.92852	1.0
68.99798	1.7
71.01379	17.5
72.41355	1.2
72.99297	2.5
73.02925	7.2
75.00859	1.6
82.95379	1.0
83.01387	16.0
84.02142	6.0
85.02942	70.9
87.00867	1.8
89.00310	1.1
89.02422	6.2
92.12398	4.1
93.03442	2.7
95.01337	1.4
95.45108	1.1
97.02920	1.3
99.00861	7.8
99.04512	30.6
101.02421	7.3
106.00587	1.9
109.02918	5.5
109.06555	8.9
111.00875	29.1
111.04512	2.6
111.08150	1.5
113.02435	4.4
121.02946	100.0
121.06582	2.6
123.00861	6.5
123.04485	2.4
123.08211	1.8
125.02397	2.1
127.00327	1.5
129.01897	11.9
136.98863	1.8
137.02391	6.2
138.03252	7.8
139.00371	10.1
139.04022	1.7
139.07643	17.4
149.04543	1.8
149.06042	1.0
152.01266	1.2
153.05557	26.5
161.06061	1.6
166.99811	2.7
167.03578	1.3
167.07120	18.4
179.10852	1.3
182.02223	8.0
189.11070	1.2
191.05672	1.2
193.05042	1.3
196.03827	4.7
197.02710	1.8
197.04559	40.5
197.06299	2.0
211.04248	1.5
211.06119	8.3
222.05357	4.9
229.07094	2.0
237.07663	6.0
239.03558	1.6
250.04781	1.5
255.05093	4.7
265.07205	25.1
267.03027	1.7
268.03827	24.8
269.04541	30.0
309.06183	2.2
316.26089	1.2
327.21738	4.5
409.11252	2.0
421.94995	1.3
471.25708	1.1
489.26773	1.9
515.11963	18.3
531.28217	14.4
544.76593	4.3
587.98401	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.7
57.03234	0.9
57.03457	13.7
59.01389	65.7
60.01690	1.3
60.03228	1.0
60.92647	1.0
61.98792	1.3
62.35272	1.1
65.32230	0.9
67.01900	1.4
67.17117	0.9
68.99815	1.6
71.01377	18.6
72.99289	2.1
73.02950	9.8
73.93476	1.2
75.00860	1.5
83.01378	13.4
84.02142	5.5
85.02949	58.6
86.94937	1.0
87.00883	2.5
89.02441	5.4
95.01399	1.8
99.00842	1.2
99.04510	28.5
101.02417	7.0
109.02953	1.9
109.06558	10.5
110.03735	1.5
111.00868	22.7
111.04502	2.2
111.08162	2.1
113.02424	5.2
113.09715	6.0
115.90105	1.1
120.63255	1.1
121.02950	100.0
121.06570	4.8
123.00880	6.0
123.04545	1.8
125.02391	1.2
129.01929	10.9
131.04970	1.4
133.06604	8.6
137.02495	1.5
138.03192	2.7
139.00374	4.7
139.07658	14.2
153.05614	12.5
154.99881	1.6
159.04520	1.3
159.10217	9.4
161.04778	1.8
161.06018	10.1
166.99879	1.5
167.07162	15.4
182.02162	5.1
189.01703	1.2
189.05571	17.4
197.04564	21.0
209.94466	1.1
211.06148	5.7
222.05328	1.8
255.05070	1.1
265.07202	15.0
265.92654	1.3
291.19736	1.5
309.20734	2.3
327.21573	2.2
409.11783	1.3
471.26102	2.1
489.26843	5.1
531.28174	38.7
544.77466	4.3
575.27979	1.8
578.74890	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05862	0.8
50.88066	0.8
51.50406	0.9
53.85894	1.0
55.01887	2.1
57.03452	16.3
59.01390	9.5
65.03349	0.9
71.01385	13.0
71.34306	0.9
72.99305	1.5
75.00870	7.5
83.01376	5.9
84.02148	2.2
85.02946	100.0
86.98084	1.0
87.00867	1.1
89.02437	3.8
101.02432	1.4
103.00368	1.3
111.00873	11.5
115.00349	4.2
119.05044	1.6
121.02960	2.4
129.01926	13.5
130.06628	8.3
133.01431	3.9
134.38857	1.0
147.02989	9.7
156.88199	0.9
157.07687	4.3
173.00900	2.0
183.09309	1.9
191.01978	50.4
193.05093	1.0
199.08801	1.8
201.06735	1.3
203.08414	1.8
209.03026	36.7
217.09801	1.9
234.09235	6.8
261.09039	1.6
277.13623	1.1
310.98413	1.0
321.12451	1.8
357.21091	1.0
383.12436	2.0
453.11432	7.2
593.34460	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55259	0.2
55.01891	0.2
57.03452	0.3
59.01108	0.2
59.01388	5.4
60.60616	0.2
66.59518	0.2
71.01385	1.6
73.02924	0.5
80.02679	0.3
83.01379	0.3
85.02928	0.9
85.76320	0.2
89.02422	0.3
95.01363	0.2
96.95961	0.2
99.00882	0.2
100.51789	0.2
101.02435	0.8
108.02176	36.4
113.02403	0.4
123.04516	16.3
125.05991	0.2
136.05305	0.2
151.07631	0.3
152.01157	86.0
153.01508	0.3
167.03494	100.0
168.03827	1.1
201.12837	0.5
204.11543	0.4
211.99551	0.3
219.13847	1.8
230.09363	0.3
263.12894	3.6
309.20749	0.4
407.17126	1.5
425.10043	0.2
471.25781	0.3
483.26956	0.2
531.28729	2.7
575.21429	17.2
576.21954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70151	2.5
70.02975	6.0
71.05032	7.0
72.66255	3.2
79.62966	2.8
87.05619	3.5
105.02682	2.9
109.95190	3.0
114.38544	3.3
130.03322	12.6
142.75218	3.0
146.08238	78.3
217.11942	13.7
277.12302	100.0
278.24857	4.0
370.98880	3.7
413.43164	3.4
535.14014	3.4
575.32593	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	576.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19456	0.2
56.43527	0.2
61.98845	0.5
62.96414	1.9
64.91073	0.2
72.51650	0.2
78.95901	100.0
83.59083	0.3
92.35189	0.3
96.96004	2.2
96.96941	6.5
98.95578	1.1
99.92575	15.8
100.93388	0.7
114.94930	9.1
115.61664	0.3
115.92071	17.6
116.92854	6.4
119.98569	1.2
122.00106	0.5
125.92877	0.6
134.98540	1.1
135.98027	0.5
137.00046	0.5
137.99626	1.4
140.01183	1.2
141.96017	9.7
150.98026	2.8
152.99590	51.3
155.95238	0.6
163.89725	1.5
164.90526	0.7
165.91362	0.7
171.00598	1.2
176.01122	0.3
177.91290	0.3
178.88434	1.9
179.89221	21.5
180.90024	10.4
181.90793	8.9
192.00710	2.2
194.02248	2.1
195.88780	0.3
196.03795	0.5
196.89497	43.5
197.89406	0.4
204.92352	2.4
205.90790	1.5
205.93181	3.5
207.92529	0.3
208.89343	0.4
209.90132	0.3
218.91676	0.7
219.92390	1.4
222.93462	3.4
223.94266	1.1
235.91823	5.2
236.92622	1.6
237.93477	0.3
244.24289	0.3
274.71909	0.3
277.95331	1.6
279.23300	20.5
282.09671	0.3
373.28558	0.3
433.23657	6.5
435.18600	1.1
437.37961	0.4
452.33710	0.3
459.12546	1.7
474.26212	1.3
476.28116	0.4
498.14517	0.4
499.15363	2.9
515.15350	1.1
516.15881	4.6
533.16229	0.7
540.18365	10.5
541.18005	0.3
550.63934	0.3
558.19434	8.7
559.19098	0.3
572.17529	2.1
576.20416	30.8
577.20300	1.1
599.41455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22672	0.1
59.01385	19.3
61.98811	0.1
62.96407	0.1
70.07150	0.1
71.01379	0.5
72.52477	0.1
78.95899	24.8
83.05054	0.1
96.96009	0.3
96.96960	1.7
98.95627	0.1
99.92574	0.9
100.93383	0.2
113.06076	0.1
115.92075	4.7
116.92857	3.4
122.98563	0.2
123.04385	0.2
125.31677	0.1
127.07587	0.2
138.98094	0.2
142.94513	0.1
150.97989	0.1
152.99596	2.2
155.95253	0.1
164.90498	0.2
168.04327	1.9
171.00639	0.6
172.95457	0.5
178.88414	0.5
179.89220	4.8
180.89995	3.6
181.90767	0.9
189.08958	0.1
196.89500	7.0
205.90723	0.1
205.93144	0.5
206.91672	0.2
224.06958	1.0
233.22847	0.6
236.92630	0.6
242.07996	3.0
259.20645	0.5
275.20206	0.7
277.21738	100.0
278.93814	0.1
402.24109	0.5
467.15610	0.5
468.16226	0.8
476.28131	0.2
485.16394	1.1
502.29471	36.1
528.18207	0.6
540.17542	0.3
558.19519	1.1
572.17560	0.3
576.20404	8.4
577.20026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67535	0.4
58.02972	0.8
62.45208	0.4
72.00898	4.3
72.51070	0.4
74.02468	3.0
80.50877	0.4
82.02972	2.3
84.04538	2.5
93.03469	4.6
99.05574	0.5
101.07198	2.8
106.06726	0.4
107.05059	0.8
109.04089	5.8
112.04047	0.7
119.05016	14.4
123.05645	3.8
127.05128	25.9
128.03531	100.0
129.03804	0.7
134.06084	0.8
141.06712	3.4
163.03995	15.4
167.04619	13.3
180.06665	57.1
185.05672	2.4
221.12918	0.9
247.10857	4.6
265.12143	0.6
273.08813	0.9
291.09888	19.2
291.13129	0.6
309.10956	57.3
310.11081	0.7
384.12476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	22.6
71.01389	0.2
78.95905	18.3
79.37685	0.1
85.02945	0.2
85.65264	0.2
87.15919	0.2
90.52943	0.2
92.12386	0.3
96.96959	0.8
99.92578	0.3
115.92095	1.7
116.92825	1.4
152.99644	2.4
155.95239	0.2
168.04305	1.9
171.00610	0.2
178.88445	0.3
179.89259	2.5
180.90057	1.3
181.90857	0.3
196.89497	3.8
205.93161	0.3
224.07060	1.2
233.22809	0.3
236.92601	0.7
242.08070	2.6
259.20596	0.2
275.20105	0.4
277.21747	100.0
278.22162	1.3
409.83365	0.2
468.16223	0.3
485.16577	0.4
502.29474	34.7
503.29822	0.4
558.19434	0.8
576.20483	4.4
577.20367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33288	0.1
54.82996	0.1
57.26578	0.1
59.01388	28.7
78.95900	28.9
83.05017	0.3
96.96935	0.6
112.01902	0.2
122.98524	0.7
134.33301	0.2
135.21959	0.2
152.99605	4.3
168.04312	5.1
224.06952	10.7
233.22731	0.7
242.08029	2.5
259.20612	0.7
275.20206	0.4
277.21741	100.0
278.22055	1.2
325.25626	0.2
376.42429	0.2
502.29489	68.5
503.29736	1.0
510.28229	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82304	0.6
55.01897	7.2
57.03464	20.0
59.01395	18.6
67.01896	1.4
68.99849	0.6
71.01378	3.4
72.67078	0.5
73.02935	1.3
75.00891	0.7
81.03465	3.6
82.92867	0.7
83.01391	23.0
84.02178	1.4
85.02954	100.0
89.04007	0.7
90.23559	0.6
91.01905	4.5
95.01348	0.7
99.00887	0.8
99.04494	4.7
101.02440	3.1
103.73160	0.8
108.02159	8.1
109.02932	1.0
111.00883	56.2
117.03430	0.8
121.02921	1.1
123.00896	4.6
123.04519	22.3
124.01646	4.4
125.02411	1.0
127.03991	9.4
129.01935	33.7
131.07108	0.7
134.03735	28.4
136.01657	1.3
137.02455	1.5
139.00317	0.7
147.03017	5.8
147.04546	1.1
149.06125	2.9
152.01141	10.3
154.99881	3.7
156.06133	0.6
160.01674	2.6
163.04060	1.0
164.04762	1.2
166.02737	1.3
167.03499	35.3
171.02994	3.3
173.00909	3.5
175.03998	3.8
178.02655	6.3
189.04045	2.2
189.05600	1.4
191.01956	3.0
192.04361	5.3
193.05077	20.3
207.03087	1.2
207.06667	9.2
215.01990	0.8
216.88560	0.7
217.08774	1.1
220.03824	0.8
233.03009	10.3
235.06099	10.3
243.06567	0.9
251.04117	1.0
253.05063	1.2
261.04019	1.2
261.07745	2.9
271.06055	4.3
279.05084	5.2
297.06168	2.6
305.06592	0.8
341.05069	5.6
397.13205	0.7
401.07349	4.7
406.78839	0.9
533.29700	1.0
577.15295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83492	0.4
54.82664	0.6
55.01886	6.2
57.03194	0.9
57.03458	19.3
59.01385	9.6
59.43665	0.5
65.00299	0.6
67.01884	1.4
68.99814	1.4
71.01382	2.4
71.05023	1.2
71.42893	0.7
71.83511	0.5
73.02924	1.0
81.03473	8.2
83.01396	11.1
84.02175	4.4
85.02959	100.0
89.03957	1.2
91.01871	5.4
94.29659	0.6
95.01366	1.4
96.50570	0.6
97.02951	0.9
99.04524	8.8
108.02175	12.9
109.02976	2.4
111.00873	20.4
111.53139	0.6
117.03465	4.6
117.74816	0.6
123.00874	3.9
123.04510	24.7
124.01635	4.1
125.02444	0.9
127.04000	17.5
129.01947	20.1
134.03731	55.0
136.01689	1.4
137.02423	2.4
138.03172	0.7
147.03012	3.9
149.06116	6.4
151.04016	0.9
152.01164	10.2
154.99834	0.8
160.01645	9.5
163.03967	0.7
164.04797	0.8
166.02713	1.1
167.03496	38.7
171.02997	7.9
173.00923	2.2
174.03215	1.0
175.04004	9.8
178.02708	7.4
189.04036	1.3
190.02515	0.6
192.04248	5.0
193.05063	42.0
202.06416	0.9
207.06613	5.1
215.02032	3.4
217.08650	1.1
233.02975	1.2
235.06123	14.1
261.07721	3.4
279.05115	1.4
297.06241	4.0
339.07315	2.4
341.05194	0.8
436.95871	1.1
494.66162	0.6
591.10669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08232	0.6
55.01883	9.6
55.86759	0.6
57.03189	1.0
57.03453	18.5
59.01390	11.6
65.00327	1.0
67.01900	1.0
69.03463	0.9
71.01369	1.3
71.05011	4.2
72.99306	1.8
77.00290	0.7
81.03447	16.9
83.01382	24.3
83.05069	0.7
84.02169	4.8
85.02945	69.0
85.43497	0.7
86.47459	0.7
89.03959	1.5
91.01886	13.5
92.11609	1.7
99.04509	21.4
108.02171	22.3
108.72897	0.6
109.02952	1.4
111.00872	41.2
116.87019	0.7
117.03451	3.7
123.00900	2.7
123.04507	49.6
124.01640	3.3
125.02417	0.8
127.04005	21.7
129.01924	27.0
132.02151	1.1
134.03726	50.0
137.02412	1.5
140.16174	0.7
147.02977	3.3
149.06104	6.4
152.01146	32.3
154.99886	1.2
160.01649	3.4
166.02791	0.8
167.03487	100.0
168.84760	0.7
171.02982	10.8
173.00906	1.4
175.04001	5.3
176.37724	0.7
177.05551	0.9
178.02704	6.4
185.12698	0.7
189.04048	1.3
189.41963	0.8
192.04320	4.3
193.05054	37.3
200.77229	0.9
207.06555	5.7
215.02011	3.8
233.03032	1.4
235.06102	11.9
260.94629	0.8
261.07596	0.9
297.06079	2.7
305.07123	0.8
323.04053	2.9
341.05280	1.2
364.78470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36840	0.6
55.01888	5.5
57.03192	1.0
57.03459	22.3
59.01383	11.7
62.22833	0.6
64.01356	0.6
65.00346	0.7
67.01917	1.3
71.01377	4.9
71.05027	1.6
73.02977	1.0
81.03460	9.8
83.01391	14.5
83.92992	0.7
84.02174	4.1
85.02952	100.0
86.30403	0.7
87.00884	0.8
89.03978	1.4
91.01891	4.6
94.60848	0.7
99.04515	13.9
108.02183	9.7
109.02921	1.0
111.00878	26.8
117.03475	7.0
123.00900	3.7
123.04529	17.6
123.87521	0.6
124.01685	1.5
125.02493	1.1
127.04008	30.2
129.01949	18.0
134.03741	80.0
137.02464	1.7
147.02974	5.2
149.06075	8.4
152.01170	7.5
152.65436	0.7
160.01643	3.6
166.02736	3.0
167.03490	29.8
171.02983	5.4
173.00957	1.1
174.03200	1.2
175.04024	4.8
178.02745	11.5
180.19431	0.8
189.04027	1.3
192.04312	4.2
193.05069	69.3
207.06688	4.3
211.23503	0.7
215.02055	2.7
218.05659	0.7
229.93219	0.8
233.03009	3.6
235.06117	14.6
261.07794	1.2
279.05249	0.9
297.06204	3.2
339.07178	2.8
341.05060	0.9
367.06607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.7
57.03194	0.9
57.03457	20.5
59.01385	12.1
59.85814	0.7
65.00305	0.7
65.21033	0.7
67.01891	0.9
71.01382	1.6
71.05026	1.2
81.03455	12.1
83.01395	20.0
84.02158	3.1
85.02953	100.0
85.99856	0.8
91.01891	7.8
99.04515	17.2
108.02178	15.0
109.02936	1.7
111.00886	39.6
115.66295	0.9
123.00880	3.4
123.04523	33.2
124.01597	1.8
127.00349	0.9
127.04009	17.1
129.01942	31.1
132.02133	0.8
133.50131	0.9
134.03735	39.3
136.01691	1.3
137.02446	1.2
142.68169	0.9
147.03009	1.9
149.06094	1.8
152.01164	22.1
154.43616	0.8
154.99896	1.2
160.01668	1.0
164.04697	1.0
166.02658	1.0
167.03497	80.5
171.02957	8.4
173.00896	5.4
175.03989	4.0
178.02676	4.4
189.04050	2.9
189.05551	1.2
191.01933	2.0
192.04301	4.0
193.05067	20.7
202.03003	1.0
207.06670	4.2
215.02037	1.6
233.03041	10.4
235.06169	12.2
251.04114	1.0
261.48462	0.9
279.05078	1.8
281.08163	0.9
297.06128	4.0
323.04022	1.9
339.06924	1.1
341.05203	6.1
367.06674	0.9
392.48279	0.9
401.07263	5.8
424.39255	1.0
530.25610	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82461	0.4
54.03742	0.5
55.01888	5.4
57.03457	17.1
59.01384	8.7
67.01878	0.9
68.99846	0.6
69.03466	0.8
70.94048	0.5
71.01373	3.7
71.01706	0.5
71.05009	0.9
73.02932	0.8
81.03448	8.8
83.01385	11.8
83.18784	0.5
84.02154	2.8
85.02948	100.0
87.00890	0.6
89.03960	0.8
91.01889	5.0
92.11724	2.8
95.01386	0.8
97.02963	1.2
99.00864	0.5
99.04510	10.8
108.02175	10.9
109.02929	2.6
111.00876	21.9
117.03468	3.0
119.43898	0.5
123.00874	3.5
123.04514	22.8
124.01651	3.2
125.02419	1.2
127.04008	21.6
129.01933	19.9
129.21394	0.7
134.03731	49.7
136.01625	1.0
137.02451	1.2
147.02982	3.5
147.04517	0.9
149.06064	7.1
151.03990	0.6
152.01151	9.1
154.99792	0.6
160.01640	11.2
166.02715	2.2
167.03491	38.2
171.02982	7.8
173.00912	1.2
174.03232	2.0
175.04004	14.4
178.02698	5.9
189.04048	1.0
191.01952	0.7
192.04298	5.1
193.05058	39.5
202.06432	0.9
207.06699	4.2
215.02007	3.4
217.08649	1.2
218.05795	0.7
220.03761	0.6
233.02946	2.8
233.08145	0.8
235.06160	13.8
261.07684	4.4
279.05179	1.2
297.06061	2.9
339.07108	1.3
341.05127	1.3
367.06650	0.9
464.97232	0.7
520.56067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57220	0.3
55.01874	0.9
57.03195	0.6
57.03460	15.5
59.01384	8.5
61.71101	0.3
63.02401	1.5
65.00329	5.2
66.52538	0.3
67.12785	0.3
67.51383	0.3
71.01377	2.5
72.99328	0.6
73.02937	0.8
75.00845	0.5
81.03453	0.9
83.01383	7.6
83.05044	0.4
85.02951	12.9
85.03473	0.6
87.00861	0.4
89.03944	0.5
91.01889	0.9
93.03450	7.7
95.01400	0.6
95.82248	0.3
96.63184	0.5
99.00906	0.5
99.04512	4.1
101.02440	4.2
106.16495	0.4
107.01391	15.0
108.01448	0.9
108.02175	22.6
109.02956	5.4
111.00886	3.6
113.02426	0.7
117.03474	0.9
119.05024	31.1
121.02959	1.8
123.00943	0.5
123.04525	4.9
125.02447	5.3
127.04021	2.7
127.46356	0.4
129.01924	3.3
129.81816	0.4
131.01381	0.5
134.03758	5.6
138.97810	0.4
143.05054	0.5
145.02904	0.8
147.04503	4.7
149.06073	0.5
151.00378	48.8
152.01158	38.5
153.01884	2.0
161.06091	0.6
163.04025	0.9
164.01157	0.5
165.01923	2.2
167.03499	8.3
169.01476	2.2
171.02995	0.6
175.00334	3.1
175.04013	0.7
177.01933	5.1
178.02757	0.7
185.06105	0.6
187.04005	1.4
193.01443	1.8
193.05061	4.5
227.07162	2.6
233.03110	0.6
235.06104	1.7
269.04709	0.4
271.06149	100.0
272.06512	2.4
283.53888	0.4
295.06198	1.6
305.08795	1.7
305.91434	0.4
313.07285	2.0
329.23398	1.7
339.07529	0.5
371.98740	0.4
428.24353	0.4
429.10385	5.9
433.11398	6.3
433.98459	0.4
445.42728	0.4
475.12534	4.0
491.70395	0.5
515.15302	0.7
533.22589	0.6
533.29657	3.2
577.15735	28.9
578.15741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44715	0.3
51.90642	0.3
57.03200	0.6
57.03458	12.4
58.56658	0.3
59.01114	0.3
59.01386	6.5
61.98810	0.3
63.02407	4.5
65.00327	7.1
69.03432	0.7
70.92136	0.3
71.01368	2.3
73.02944	2.0
81.03447	0.7
83.01376	8.7
83.02265	0.3
85.02929	5.6
87.00813	0.3
89.02445	0.6
92.12283	0.7
93.02892	0.6
93.03442	10.0
95.01363	0.6
97.02941	0.4
99.04501	3.1
99.73080	0.4
101.02422	3.0
107.01381	18.6
108.02144	1.5
108.56682	0.3
108.99330	0.6
109.02923	0.6
110.30445	0.4
111.00864	2.4
113.02405	0.5
116.92879	0.5
119.05013	43.3
121.02962	0.4
123.00851	2.7
123.04486	2.0
124.01646	4.7
125.02431	17.7
127.03999	0.8
129.01903	1.4
134.03712	2.6
136.01657	2.0
137.02444	0.8
143.05037	1.8
145.02943	1.2
149.99574	6.6
151.00363	63.1
152.01038	0.8
159.26895	0.3
161.06050	0.7
164.01141	2.8
165.01921	3.8
167.03539	3.5
168.00633	12.7
168.01999	0.6
169.01401	4.2
171.03107	0.4
177.01910	8.5
185.06085	1.3
187.04039	0.5
193.05090	1.8
196.00095	0.8
227.07126	2.5
229.04820	0.4
253.05154	0.6
270.05200	0.5
271.06125	100.0
272.06512	3.0
311.22223	1.9
313.06058	0.4
331.06708	0.4
399.23361	0.4
415.10379	1.7
433.11441	28.1
473.27350	0.5
475.12460	23.6
476.12909	0.6
491.28458	0.5
502.20117	0.4
515.15594	7.8
515.22955	0.6
533.29657	9.9
561.55695	0.4
577.18109	16.5
578.17053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.3
59.01383	2.3
60.85434	0.2
65.41505	0.2
71.01384	0.2
71.05013	2.5
72.75546	0.2
81.03455	0.4
85.02951	1.4
85.91774	0.2
91.04372	0.2
92.11692	0.8
99.08151	24.1
101.06048	0.3
113.07066	0.2
122.83698	0.3
123.04527	3.3
124.20390	0.2
125.02437	4.1
127.04010	0.2
127.07644	23.6
129.05576	59.7
130.05853	0.3
134.03741	0.3
145.08717	4.1
149.02435	0.3
152.01128	0.2
167.03506	6.8
171.06625	5.2
189.07692	100.0
190.07980	0.8
387.16354	0.3
399.35773	0.3
491.14114	0.5
533.14886	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.8
55.98561	0.4
56.57068	0.4
57.03459	7.1
58.00587	0.6
59.01387	94.9
60.01744	0.5
60.79391	0.4
64.20399	0.4
64.34666	0.4
69.03461	0.7
71.01381	18.8
71.05027	0.5
72.99323	1.0
73.02948	19.4
73.24840	0.4
75.00883	0.7
81.03466	2.9
83.01390	8.0
84.02151	0.8
85.02950	23.1
85.06602	0.4
87.00860	2.0
89.02450	7.1
91.01884	2.0
95.01376	0.8
97.02963	0.6
98.75333	0.6
99.00888	2.0
99.04544	3.0
101.01781	0.6
101.02444	15.9
108.02177	4.2
109.03009	0.5
111.00865	7.1
113.02460	6.4
117.03416	0.9
119.03525	2.5
123.00882	0.9
123.04532	9.4
124.01685	0.6
125.02460	2.1
127.04035	4.8
129.01924	5.5
129.09161	3.6
134.03748	11.9
136.01695	0.5
144.02626	0.4
149.06122	0.8
152.01137	6.5
153.12846	1.9
155.10823	0.6
160.01723	1.1
161.04631	0.9
161.21024	0.5
167.03508	16.0
167.43170	0.6
168.03879	0.8
171.02968	0.9
175.04065	1.0
178.02757	0.9
185.52750	0.5
192.04376	0.5
193.05064	7.3
207.06616	0.8
215.02032	0.7
233.03038	0.6
235.06158	2.1
239.16626	0.6
252.04297	1.0
253.05159	0.8
293.21210	0.9
311.22324	3.7
327.21548	0.5
329.23425	10.2
360.99127	0.5
371.23917	0.6
473.27539	2.7
491.28622	7.0
509.68271	0.5
515.28772	2.5
517.13257	0.5
533.29736	100.0
534.30194	5.0
577.28381	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	577.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26632	0.2
57.03438	0.2
72.95332	0.3
78.95898	8.9
102.31892	0.2
110.98534	7.8
110.99284	0.3
125.09720	0.5
127.11299	2.9
130.12567	0.2
152.99612	1.0
153.09230	0.3
167.01157	3.8
171.10272	100.0
172.10564	1.0
185.11768	0.3
210.40417	0.3
230.48772	0.2
255.23318	41.6
256.23642	1.1
269.24841	0.8
279.23251	1.0
285.63455	0.2
291.63727	0.2
297.24316	1.0
321.11099	0.4
339.12045	0.3
345.26727	0.3
391.22357	0.3
400.21317	0.3
405.24258	0.4
423.25211	5.3
479.36774	0.3
577.35132	12.0
578.35065	0.3
590.75171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4244
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
58.25787	0.2
59.01382	1.6
59.88074	0.2
64.40125	0.3
69.40666	0.2
71.01374	0.4
77.67304	0.2
86.47152	0.2
103.82167	0.2
123.23426	0.3
142.53937	0.2
233.22833	0.5
240.91429	0.3
259.20685	0.4
274.62692	0.3
275.20160	0.4
277.21732	100.0
278.22079	2.4
383.72595	0.3
577.42462	50.7
578.43134	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	578.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36930	1.3
67.20500	1.1
67.67467	1.1
78.95910	100.0
85.44440	1.3
92.65751	1.5
93.89100	1.3
96.96952	9.1
99.92554	2.3
115.92081	28.3
116.92857	17.0
125.92897	1.9
152.99580	2.5
159.67471	1.4
171.00629	1.8
178.88440	1.7
179.89188	23.1
180.89989	19.6
181.90773	3.4
196.89526	34.7
199.46121	1.5
202.61848	1.4
236.92665	2.8
252.92375	1.5
261.74130	1.5
306.36176	1.6
418.32965	1.6
421.48645	1.4
459.32870	1.7
470.17676	6.3
487.17941	8.5
530.19794	2.0
537.67902	1.6
542.19757	1.6
574.32941	1.5
578.13361	2.8
578.21985	51.3
579.21802	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38380	0.1
52.45034	0.1
57.80763	0.1
59.01387	15.7
63.29594	0.1
72.76340	0.1
78.95903	6.6
91.35140	0.1
108.79108	0.1
112.25622	0.1
115.92094	0.2
119.51952	0.1
151.63327	0.1
152.99573	1.2
168.04308	1.4
173.66470	0.1
196.89578	0.3
197.72066	0.2
224.07094	0.9
230.13924	0.2
242.07979	2.1
261.22299	0.3
279.23306	100.0
280.23679	2.0
301.86942	0.2
468.66513	0.2
504.31030	30.7
505.31329	1.4
512.27069	0.2
518.88794	0.1
578.21973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08941	0.4
51.86791	0.3
52.11916	0.3
59.01395	21.0
67.24525	0.3
68.08688	0.4
69.93606	0.3
78.95909	20.5
132.02457	0.4
140.47226	0.4
152.99600	3.5
168.04323	4.4
224.06972	7.7
242.08022	1.4
278.27338	0.4
279.23297	100.0
280.23633	2.0
504.31024	63.7
505.31314	4.9
544.88739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14363	0.4
55.01887	3.9
57.03456	20.6
59.01388	4.8
59.51631	0.4
68.99828	0.6
71.01386	4.9
71.05025	0.5
72.99315	1.2
73.02940	0.8
74.13406	0.4
83.01393	6.4
84.02187	0.7
85.02951	100.0
87.00890	1.1
91.01871	0.6
91.05519	1.2
92.11640	1.1
93.03467	0.5
96.14439	0.4
99.00867	1.9
99.08163	9.5
100.08499	2.7
101.02451	0.8
105.03455	0.6
106.00610	0.6
107.05049	3.3
111.00894	11.1
121.02957	15.1
121.03779	0.9
123.00860	2.4
123.04504	0.8
125.02399	0.5
127.00482	0.6
127.07662	9.1
128.08014	3.2
129.01936	29.1
129.05582	26.1
130.05905	6.1
131.06004	0.8
134.03735	7.8
135.04530	7.9
136.98775	0.6
137.02444	1.8
138.03229	3.8
139.00392	3.2
139.04008	0.7
145.08727	0.9
147.03011	10.6
148.01685	0.9
149.02527	0.5
150.03223	2.1
153.05577	12.3
163.04027	9.2
163.93872	0.5
166.99913	0.9
167.03493	1.2
171.06616	1.8
173.00928	10.6
176.01227	1.9
178.02621	0.7
179.03510	0.7
182.02209	3.7
189.07695	35.4
190.02701	0.8
190.08055	13.8
191.01993	4.5
191.03535	0.6
191.08215	3.6
196.03833	0.6
197.04572	17.4
197.06282	1.0
204.04253	0.7
207.02991	8.9
209.02957	0.9
209.04729	0.6
221.04555	0.6
222.05363	2.3
237.07790	1.7
265.07260	5.6
267.06778	0.6
270.32861	0.5
327.07294	13.4
337.06140	0.6
349.29669	0.5
353.05246	0.6
371.06311	3.1
381.04788	2.0
389.07376	0.6
397.09363	0.9
452.20587	0.6
520.34833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70310	0.9
57.03455	16.9
59.01384	15.6
59.01659	1.5
64.21421	1.1
65.00321	2.8
71.01358	5.3
73.02930	2.7
81.03427	2.9
83.01376	9.8
85.02921	6.2
89.02429	1.3
93.03427	2.8
95.01355	1.3
97.02930	2.0
99.00878	1.1
101.02441	2.2
107.01378	7.5
107.05038	1.8
111.00918	4.3
113.02436	2.3
117.03449	4.9
123.04537	2.1
124.01706	1.8
125.02431	100.0
133.02934	1.9
139.04019	1.3
144.59201	1.3
146.89430	1.1
147.04413	1.3
149.02440	6.3
151.00359	25.1
152.01131	7.2
153.01947	9.6
158.03772	1.7
159.04568	1.5
163.00342	1.6
167.03461	1.7
169.06584	1.4
172.05302	1.8
173.06050	6.3
175.03966	2.4
177.05550	2.0
178.99834	10.6
179.03351	1.6
181.06517	1.4
197.06062	2.1
199.04089	1.2
200.38641	1.1
201.05573	5.1
201.82072	1.3
215.07094	6.7
224.04636	1.2
225.05617	5.3
241.05005	5.2
243.06621	4.9
259.06113	77.1
263.53885	1.2
269.04562	64.6
270.04932	1.7
287.05630	36.4
313.23871	1.8
320.01831	1.3
331.24966	6.0
493.29886	2.7
517.82416	1.2
534.29663	5.1
535.31268	16.4
549.74829	1.3
562.60089	1.7
579.15216	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17395	0.4
57.03456	3.1
59.01111	0.8
59.01388	18.8
61.52242	0.4
62.76642	0.5
67.16689	0.4
71.01389	5.7
73.02960	4.7
79.81185	0.4
81.03426	0.6
83.01395	3.5
83.05026	0.9
85.02948	4.2
86.53218	0.5
87.00880	2.1
89.02441	3.9
92.11709	0.8
93.95821	0.5
95.05021	0.6
97.02952	0.9
97.06552	0.6
99.00878	7.7
101.02428	3.0
105.01923	0.9
107.04998	2.8
108.02174	40.8
113.02450	2.6
120.05808	0.6
123.03642	0.9
123.04514	19.7
125.02422	0.6
131.03542	0.7
134.03714	1.1
137.34531	0.6
143.03592	0.8
147.08165	0.6
149.04550	3.0
149.05997	0.7
151.07730	0.5
152.01158	94.6
153.01852	0.6
161.04465	0.6
161.09721	6.0
161.13353	0.9
163.11263	1.0
167.03500	100.0
168.03874	0.5
178.02632	0.6
187.11339	7.3
189.09210	4.8
191.05630	2.4
193.05106	1.7
201.85448	0.6
203.05598	1.9
203.10880	0.8
205.12332	3.0
207.10306	1.1
223.13559	3.5
231.10284	2.2
233.06584	0.9
249.11319	2.9
267.12360	2.7
269.04483	3.0
273.11288	0.9
291.12485	0.7
333.13434	0.8
335.09842	0.9
351.14725	0.5
394.50281	0.5
411.16656	11.1
535.30847	2.1
579.20923	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	579.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97716	0.7
57.03458	0.7
59.01377	3.3
61.98807	1.2
63.68175	0.8
71.01390	9.0
72.55640	0.8
73.02956	2.0
74.92217	0.8
78.95914	7.4
78.98601	8.0
79.95741	14.4
80.96526	90.9
85.02956	5.0
87.00887	3.9
92.65377	0.7
93.16265	0.7
94.98090	18.7
96.96982	1.2
101.02430	3.7
106.98090	3.9
107.05388	0.7
116.92893	1.0
122.97585	4.9
125.02425	1.8
127.03944	1.1
134.97604	6.7
136.99124	1.2
148.99159	7.5
152.98624	7.9
160.59302	0.8
164.98625	14.5
179.89322	0.8
181.52307	0.8
206.99710	3.1
225.00755	16.3
279.23322	4.9
299.04507	3.5
450.24683	0.8
461.63028	0.9
564.30359	0.9
579.28571	100.0
580.29163	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	579.285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.1
61.98823	0.6
63.96242	1.3
64.97048	0.5
65.62399	0.5
69.03465	0.7
70.31304	0.5
71.01383	10.5
73.02949	1.0
73.90603	0.4
78.95891	8.0
78.98585	8.2
79.95737	14.9
80.96516	93.7
85.02954	5.5
87.00870	3.7
94.98078	19.6
96.96013	0.7
97.02948	2.2
101.02445	4.0
106.98092	3.5
115.92077	0.8
116.92038	0.7
122.97584	4.0
125.02470	3.0
127.04011	0.7
134.97542	7.8
136.99152	1.2
145.17065	0.6
148.99153	8.4
152.98648	8.7
164.98616	14.3
179.89229	0.7
180.90059	0.5
196.89517	1.0
197.89455	0.7
206.99709	2.4
225.00772	19.6
279.23401	2.7
299.04623	3.6
386.62735	0.5
464.82425	0.5
519.75970	0.6
539.79303	0.6
543.29803	0.8
579.28625	100.0
580.29095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94212	0.5
58.90234	0.5
59.01388	8.8
60.01712	0.6
61.01799	0.7
61.98836	100.0
78.71637	0.5
78.95895	10.5
80.96323	1.1
85.02928	0.8
116.92838	1.0
152.99617	0.9
210.36774	0.6
216.62030	0.7
224.06886	2.4
225.07266	1.3
253.04979	0.6
277.21753	10.7
278.22095	14.2
279.22385	8.7
280.22647	4.2
503.29700	2.3
504.30121	9.8
505.30334	11.5
506.30618	0.6
519.25067	0.8
579.29346	0.8
601.53369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3309
Annotation	Manzamine F
Peak:m/z	Relative Intensity
59.01384	0.4
68.65896	0.4
78.95903	100.0
96.96973	3.5
97.06577	0.7
110.03254	0.4
123.08173	0.4
125.09713	11.7
125.10635	0.4
152.98335	0.8
152.99588	22.7
187.09753	9.0
199.71045	0.4
239.26004	0.4
255.23323	38.3
266.81680	0.4
323.09067	0.9
391.22644	2.0
409.23715	0.5
579.33112	20.5
580.33734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04160	0.1
59.01399	0.3
61.98844	39.2
63.02419	0.8
64.24055	0.2
65.00351	0.3
71.01404	0.2
83.01403	0.2
83.75033	0.2
85.02952	0.3
89.99339	0.2
91.01902	0.2
92.12424	0.3
107.01382	1.3
112.64973	0.2
123.04491	0.2
132.02170	0.3
133.02950	2.3
135.00847	0.3
135.04539	0.3
157.02971	0.3
159.04498	0.9
169.06512	0.7
176.00980	0.2
180.05797	0.4
181.06641	1.2
183.04578	0.8
196.05289	0.4
197.06088	0.9
199.03975	0.3
201.05634	0.9
209.06013	0.3
212.04688	0.2
213.05721	0.4
224.04826	1.4
225.05481	1.2
227.03555	0.4
239.03365	0.2
240.04330	0.2
241.05034	0.2
250.39796	0.2
253.05112	0.9
267.02924	0.3
268.03793	6.1
269.04568	100.0
270.04822	1.9
283.06198	0.4
291.06607	0.7
311.05606	6.3
335.05606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56026	0.2
59.01359	0.2
61.98837	40.5
63.02386	0.4
65.00317	0.2
67.48750	0.2
85.02946	0.4
107.01391	1.1
117.03378	0.2
132.02122	0.2
133.02951	2.1
157.02885	0.2
159.04547	0.6
169.06590	0.2
180.05853	0.5
181.06578	1.3
183.04446	0.9
196.05305	0.4
197.06099	0.6
201.05508	0.9
213.05678	0.3
220.65105	0.3
224.04805	1.3
225.05580	1.0
225.93301	0.3
233.06282	0.2
240.04323	0.3
253.05099	0.5
262.72070	0.3
267.02808	0.3
268.03799	6.4
269.04578	100.0
270.04935	2.6
271.06009	0.3
283.06265	0.5
291.06683	0.9
291.63275	0.3
311.05634	5.6
353.06781	0.4
550.20923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48278	0.1
57.03461	0.2
59.01389	1.4
61.98837	8.8
63.02380	0.9
65.00325	0.5
66.53968	0.1
71.01382	0.3
73.02951	0.1
76.56864	0.1
83.01355	0.4
85.02950	1.0
91.01888	0.6
101.02422	0.2
104.33887	0.1
107.01381	1.0
108.02207	0.1
109.02937	0.2
111.00874	0.3
119.05015	0.5
123.04537	0.3
133.02963	2.6
135.00938	0.7
135.04524	0.2
149.02409	0.9
151.00375	0.5
153.01952	0.3
155.04910	0.2
157.02954	0.3
159.04489	1.1
161.02402	0.1
166.02727	1.4
167.03369	0.6
169.06577	0.6
173.05991	0.2
176.01122	0.1
180.05872	0.6
181.03665	0.1
181.05077	1.2
181.06616	1.8
182.05450	0.2
183.04526	0.7
195.04614	0.1
196.05313	0.6
197.06090	0.5
199.03999	0.2
201.05580	1.1
213.05702	0.4
224.04797	0.9
225.05563	1.1
227.03514	0.3
239.03589	0.2
240.04298	0.2
241.05011	0.2
253.05104	0.2
255.06625	0.6
268.03790	1.8
269.04584	100.0
270.04907	2.1
283.06250	0.2
291.06659	0.3
311.05655	0.5
335.05890	0.2
387.11130	0.2
403.13647	0.2
413.08643	0.6
417.15540	1.0
418.15753	0.7
436.13629	0.2
477.14404	0.2
478.14429	0.2
544.25482	0.2
561.52032	0.1
580.16742	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24985	0.3
57.03458	1.8
58.03008	0.5
59.01390	0.8
65.70306	0.4
70.02976	0.6
71.01385	5.9
72.51526	0.4
85.02953	4.8
87.09341	0.4
88.04036	82.3
89.04398	0.5
91.05525	4.5
114.01939	5.0
115.00365	16.1
123.04533	0.4
129.01906	2.0
132.03020	100.0
135.04517	3.8
153.05585	0.6
164.07196	2.6
167.03499	0.5
191.02051	0.5
197.04591	0.7
206.08289	4.6
232.06071	0.5
241.61143	0.5
250.07205	66.1
251.07661	0.6
325.01059	0.4
326.23059	0.5
352.09866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83037	0.2
55.01890	1.0
57.03456	2.1
58.03821	0.2
59.01387	2.8
61.98834	100.0
71.01382	3.0
72.01724	0.2
72.99323	0.2
73.01772	0.2
73.02949	1.0
75.02032	0.2
77.51283	0.2
81.03463	0.8
83.01374	1.8
84.02154	0.2
85.02947	9.3
86.03291	0.4
89.02446	1.6
89.87620	0.2
91.01886	0.3
95.01387	0.2
96.75870	0.2
99.00863	1.3
99.04523	0.8
101.02454	1.8
101.03044	0.2
108.02193	0.8
111.00883	2.2
113.02447	1.3
119.03545	0.2
121.02950	3.1
123.00876	0.8
123.04475	1.5
123.08212	1.1
127.04060	0.7
129.01924	2.8
135.04550	0.3
137.02551	0.3
137.09761	0.2
138.03227	0.3
147.03114	0.3
152.01208	0.9
152.08429	0.2
153.05569	1.6
153.09210	0.3
154.09540	0.2
160.64844	0.2
161.04626	0.4
163.03946	0.3
163.11359	0.9
166.99924	0.3
167.03484	3.0
171.02992	0.3
173.00941	0.8
181.01462	0.3
182.02286	0.9
184.65457	0.2
189.12929	1.0
190.13297	0.3
191.02026	0.9
197.04587	3.6
198.04984	0.3
205.12379	0.3
206.12813	0.3
207.02995	0.2
207.13980	1.1
208.14322	0.8
215.02097	0.2
265.07214	0.2
325.30481	0.2
327.24551	0.2
389.07779	0.2
421.84918	0.2
517.22797	0.2
519.24152	3.2
520.24603	7.8
580.22791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	14.4
59.67195	0.2
60.10680	0.2
70.07258	0.2
78.95900	5.4
101.44068	0.2
105.69832	0.2
122.43686	0.2
152.99561	1.8
168.04330	1.4
197.46185	0.3
224.06993	1.0
242.07953	1.7
281.24866	100.0
282.25195	2.1
287.54449	0.2
381.81366	0.2
506.32553	28.7
507.32715	0.5
581.29639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16706	0.1
57.59857	0.2
59.01386	18.3
69.51784	0.2
74.64288	0.2
78.95901	18.4
122.98521	0.4
130.88850	0.2
133.81024	0.2
152.99582	2.7
168.04309	3.2
175.49606	0.2
184.94270	0.2
200.90952	0.2
224.06975	7.4
242.07999	1.9
281.24881	100.0
282.25198	1.8
389.86563	0.2
506.32559	55.0
507.32941	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	581.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	8.2
55.98753	0.5
57.03454	24.5
58.88146	0.5
59.01382	12.0
61.98832	10.1
62.76503	0.4
65.00319	2.5
67.01876	1.0
68.99837	0.7
69.03434	1.1
71.01364	3.9
71.05008	2.9
72.99287	1.3
76.78996	0.5
81.03448	17.5
83.01382	24.7
84.02166	5.3
85.02945	100.0
86.03276	1.3
86.12643	0.5
89.00320	2.6
89.02444	0.7
91.01881	11.2
92.11726	2.6
92.65878	0.5
95.01360	3.0
97.02918	0.9
99.00864	1.2
99.04504	21.1
101.02433	0.7
104.02567	0.5
106.00594	2.7
107.05013	0.6
108.02170	13.6
109.02964	2.5
111.00874	46.1
121.02940	41.2
123.00859	11.3
123.04507	37.6
124.01626	2.7
125.02407	0.8
127.00355	2.3
127.04004	19.9
129.01927	35.7
134.03737	1.0
135.04489	1.4
136.01639	0.6
136.98801	1.0
137.02489	4.3
138.03244	6.3
139.00372	4.4
147.02983	4.6
149.02405	0.8
150.03249	1.0
152.01144	23.3
153.01967	0.9
153.05573	24.5
161.02451	0.6
163.03969	3.4
166.02618	0.9
166.99820	5.9
167.03490	73.8
170.85007	0.6
171.02960	10.6
173.00888	4.3
179.03531	0.7
181.01393	1.1
182.02208	16.2
189.01915	1.0
191.01968	3.6
192.04361	1.0
193.05099	0.9
197.04558	52.6
207.02998	0.9
207.06610	2.5
215.02080	4.3
217.01477	0.6
222.05385	1.3
233.02954	1.0
235.06110	8.3
237.07655	1.4
265.07193	6.8
327.07156	1.3
341.04916	1.0
371.06223	0.9
389.07129	1.3
474.90659	0.6
520.24329	0.8
521.25867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.0
57.03184	1.1
57.03458	20.6
59.01387	9.1
64.53827	0.6
67.01874	0.6
67.94295	0.6
68.99831	0.7
71.01374	4.0
71.04996	0.6
72.99303	2.8
73.02959	0.8
75.60365	0.6
77.72015	0.6
81.03455	6.0
83.01390	13.4
84.02166	3.5
85.02951	100.0
86.03281	1.5
87.00883	0.9
88.66271	0.6
91.01891	5.5
93.03448	3.5
95.01369	1.0
99.00862	1.1
99.04526	8.0
100.02439	0.6
101.02461	0.9
106.00602	1.2
107.05035	1.1
108.02186	6.1
108.61411	0.7
109.02967	1.1
111.00887	21.4
121.02944	20.3
123.00855	7.8
123.04515	17.6
123.52722	0.7
124.01645	1.3
125.02448	1.1
127.00359	1.1
127.04031	10.4
129.01936	21.9
130.02292	0.8
133.02994	0.7
134.03732	4.1
135.04500	3.1
136.98770	1.0
137.02443	7.9
138.03261	5.3
139.00377	4.3
139.03999	0.8
141.01935	0.9
147.03018	5.5
149.02452	0.8
152.01163	9.1
153.01927	0.8
153.05583	13.8
155.03542	1.2
161.02477	1.1
163.04025	3.7
166.02783	1.1
166.99863	3.8
167.03502	33.9
171.02997	5.3
173.00899	2.9
179.03510	1.5
181.01414	3.2
182.02281	8.0
191.02051	2.5
192.04375	1.0
193.05095	1.0
195.77859	0.9
196.03845	2.7
196.44438	0.8
197.04565	25.6
197.85512	0.8
199.02667	0.7
207.03008	3.9
207.06636	1.0
215.01971	3.0
222.05356	2.9
235.06148	4.3
237.07652	2.5
250.04834	0.7
265.07214	12.0
308.10031	0.8
309.06113	1.4
327.07251	1.1
399.15570	0.8
401.07224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78489	0.2
59.01105	0.5
59.01387	10.5
60.01722	1.6
61.01814	1.6
61.98836	100.0
62.64386	0.2
64.34481	0.3
78.95902	12.3
80.96334	2.2
92.11739	0.5
130.61830	0.2
142.80949	0.2
152.99637	1.7
155.00070	0.4
168.04378	1.3
224.06900	2.3
225.07292	1.1
226.07558	0.9
230.49496	0.3
242.08200	0.4
243.08385	0.4
279.23306	15.7
280.23651	23.9
281.23950	17.4
282.24258	8.4
291.52814	0.3
433.45200	0.3
446.54785	0.3
504.31125	2.7
505.31360	4.4
506.31570	13.4
507.31912	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	10.3
60.01734	0.8
61.01823	0.9
61.98840	100.0
78.95907	4.4
81.48267	0.3
82.84300	0.3
84.52180	0.3
152.99612	1.7
156.26675	0.4
168.04300	0.3
197.36823	0.4
206.38235	0.4
207.86020	0.3
226.79675	0.4
242.08177	0.5
243.08289	0.5
279.23318	19.1
280.23645	29.8
281.23947	20.6
282.24240	9.5
393.17130	0.4
435.29691	0.4
456.50613	0.4
504.31589	1.7
505.31583	3.0
506.31708	8.3
507.31943	9.7
534.51727	0.4
566.91919	0.4
581.31860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54609	0.2
59.01385	0.3
60.28953	0.2
70.79055	0.2
71.02614	0.2
126.30681	0.2
214.21332	0.3
232.25682	0.2
279.23303	100.0
280.23611	2.6
285.27451	0.3
287.11533	0.2
346.59323	0.2
374.95389	0.3
452.24884	0.3
524.35297	0.3
581.45593	40.6
582.45715	2.2
599.40045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.2
57.03458	0.8
59.01386	1.2
61.98832	100.0
71.01381	1.0
72.71091	0.2
73.02943	0.2
83.01380	0.4
85.02946	2.1
86.03294	0.8
89.02467	0.3
89.65699	0.2
99.00926	0.3
101.02447	0.4
108.02185	0.2
111.00893	1.1
113.02442	0.3
121.02962	1.2
122.03318	0.2
123.04499	0.3
123.08190	0.2
124.04782	0.2
127.04023	0.2
129.01924	0.7
136.43544	0.2
152.01213	0.4
153.05614	0.5
154.05936	0.2
167.03558	1.1
168.03860	0.2
171.02962	0.2
182.02206	0.3
189.12927	0.2
190.13252	0.2
197.04614	0.8
198.05005	0.2
207.06702	0.2
208.14311	0.5
253.05034	1.9
266.51083	0.2
444.74176	0.2
521.24969	1.4
522.25342	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	582.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69961	0.3
54.25058	0.2
54.53591	0.2
55.60830	0.2
59.01386	17.2
62.94367	0.2
63.72903	0.3
73.39460	0.3
74.33652	0.4
78.95901	18.1
88.63439	0.3
106.39667	0.4
152.99585	2.1
168.04268	3.5
215.74776	0.3
224.06944	7.3
242.08055	1.4
283.26440	100.0
284.26773	0.7
333.16949	0.3
404.14676	0.4
457.67551	0.3
483.56308	0.3
499.67685	0.3
508.34116	55.3
509.34390	0.6
543.24854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53010	0.1
54.03605	0.1
56.65346	0.1
59.01393	14.8
78.95901	5.3
96.17772	0.2
104.13459	0.2
118.63234	0.2
152.99599	1.1
168.04337	1.0
218.35025	0.2
224.07019	0.8
242.08015	2.0
261.83850	0.2
283.26437	100.0
284.26779	2.3
374.61603	0.2
400.43292	0.2
505.99533	0.2
508.34113	27.0
509.34396	0.9
580.53583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82506	0.7
55.01881	7.2
55.68891	0.7
57.03192	1.4
57.03457	29.1
59.01387	20.1
61.39685	0.8
61.98838	1.6
67.01882	1.1
71.01377	5.2
72.99300	1.5
73.02933	1.8
75.00848	1.0
83.01390	17.4
85.02948	100.0
87.00856	1.1
91.01876	3.7
92.12237	1.0
93.03453	50.6
93.69472	1.1
101.02426	2.2
108.02171	15.6
111.00871	27.7
113.02501	1.0
121.02947	37.6
123.00888	1.0
123.04505	17.5
124.01658	1.6
127.62621	1.0
129.01935	65.8
131.05032	1.0
133.06537	1.7
136.01624	1.9
137.02435	34.9
147.03008	2.2
147.04558	1.3
149.06090	3.5
152.01140	23.8
154.99883	3.6
159.04518	2.1
161.06094	1.5
166.02658	0.9
167.03494	40.4
173.00877	5.4
175.89999	0.8
177.05579	26.9
178.87082	0.9
189.05525	4.3
192.04269	1.8
200.16064	1.0
205.05077	14.9
207.06650	2.0
235.06082	10.7
249.04094	8.4
251.05458	1.2
279.05164	1.3
293.03159	4.0
295.04495	3.2
297.06058	5.0
323.04013	3.5
341.05151	1.7
345.39026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01654	0.5
55.01880	4.8
57.03193	1.1
57.03458	26.5
59.01389	5.4
59.48798	0.5
68.99804	1.0
70.90417	0.5
71.01373	5.6
72.99329	1.3
73.02944	1.3
73.28564	0.5
76.96987	0.6
83.01392	4.8
84.02171	2.9
85.02951	100.0
87.00839	0.7
92.12425	2.3
101.02448	0.9
110.00096	0.9
111.00888	15.5
121.02952	11.4
123.00874	3.0
123.04472	1.3
124.01665	0.6
125.02470	1.3
125.99606	2.8
129.01938	42.5
137.02406	6.4
137.99664	0.9
138.03220	2.9
139.00366	2.6
139.04068	0.9
141.01926	1.2
147.02995	6.6
151.04092	0.8
153.01935	2.5
153.05574	23.2
153.99071	0.7
163.04031	0.6
165.05630	1.5
166.06013	1.0
166.99939	1.2
173.00934	9.0
182.02219	3.7
191.01991	2.8
191.98494	0.6
193.05179	2.4
194.05467	0.7
196.03882	1.2
197.04567	15.4
207.06688	0.6
211.06157	22.7
222.05385	0.8
253.05098	2.3
265.07315	6.7
269.04584	1.1
270.04941	2.7
271.05255	0.7
279.08765	3.0
327.07208	5.6
341.08826	4.6
371.06323	1.4
381.61304	0.8
385.07870	2.5
403.08957	3.8
420.19742	0.7
448.66553	0.7
464.32986	0.6
473.46161	0.7
539.27362	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	583.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82738	1.4
57.71353	1.1
59.01372	1.7
63.85997	0.9
73.62542	0.9
78.95901	100.0
96.96002	1.6
96.96964	6.1
99.92578	13.1
100.93359	2.1
105.08606	1.1
115.92064	40.9
116.92851	35.2
134.98491	1.1
150.98027	5.1
152.99594	35.1
164.90471	1.7
167.04625	5.3
171.00562	1.8
172.95419	4.2
178.88432	1.1
179.89218	30.1
180.90048	24.9
181.90837	10.0
196.89505	56.0
205.90735	5.9
206.91505	1.4
208.89499	4.5
231.70470	1.2
235.75063	1.2
235.91823	7.9
236.92685	12.4
253.92920	2.1
255.23294	12.0
307.20645	1.2
355.15823	1.7
411.18445	2.1
475.15662	4.5
492.16034	6.3
535.17523	2.5
547.17786	9.3
583.19885	81.2
584.20325	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	583.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09412	1.1
54.79894	1.2
54.82819	1.3
55.01873	8.8
55.71781	1.3
57.03452	21.0
57.24363	1.2
59.01392	15.7
67.01897	2.1
68.99789	1.4
71.01395	2.6
71.05028	2.0
73.33193	1.4
73.87338	1.4
81.03451	14.5
83.01383	30.3
84.02185	1.6
85.02950	75.3
89.00324	6.5
99.00880	1.6
99.04507	24.2
106.00590	3.0
111.00880	48.2
121.02061	2.4
121.02946	61.2
123.00846	13.3
127.04008	30.2
129.01924	23.2
132.36855	1.6
136.98816	2.1
138.03259	10.6
139.00392	2.6
139.04039	1.7
140.05940	1.7
149.39482	1.7
153.04431	2.5
153.05579	45.9
166.99916	9.5
169.12358	21.5
171.02989	14.2
177.19321	1.7
182.02225	30.1
197.02724	3.3
197.04579	100.0
215.01932	3.1
222.05296	1.7
237.07716	2.5
237.15012	2.6
265.07162	13.1
299.15195	1.6
353.05032	3.1
372.21451	1.6
483.08890	1.6
553.13617	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	583.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12763	0.3
57.03454	2.6
59.01110	0.8
59.01388	15.5
59.45901	0.4
61.98838	16.4
68.93240	0.3
69.03458	0.5
71.01388	7.3
73.02949	4.2
77.73558	0.3
83.01407	3.9
83.05029	0.7
85.02951	4.1
87.00893	0.8
89.02434	2.9
91.93751	0.3
95.00066	0.3
95.01366	5.1
95.04980	0.4
97.02938	0.7
99.00859	0.5
99.04538	0.6
101.02437	5.9
101.16362	0.4
108.27596	0.4
109.06555	0.4
111.00906	0.4
113.02452	3.1
119.03538	0.5
119.08634	0.4
121.06632	0.5
123.00890	29.0
124.01692	0.5
125.02466	1.4
125.06072	0.7
131.03461	0.6
135.08144	0.6
137.06125	0.6
137.09700	3.4
138.03230	16.1
141.05600	0.5
153.05592	6.6
155.20229	0.5
161.09723	2.2
163.07629	4.5
166.99858	37.2
168.00464	0.6
179.10760	1.8
181.01427	0.6
181.08725	4.9
182.02225	100.0
183.02838	0.9
197.04573	95.7
197.11781	3.3
198.04892	1.9
203.10835	0.7
221.11789	0.4
223.09792	5.2
234.24496	0.4
241.10876	3.9
247.09702	1.6
265.10800	1.7
269.04535	0.6
271.05063	0.9
283.11835	0.9
289.16440	0.4
301.56024	0.5
307.11880	0.9
325.12888	1.9
352.55042	0.4
385.15085	8.4
421.20941	5.7
583.20209	7.3
583.26886	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
59.01109	0.3
59.01387	7.0
61.98822	0.4
71.01389	3.1
72.99292	0.2
73.02950	6.6
75.00869	0.3
83.01382	1.1
85.02938	1.2
95.49401	0.2
96.07572	0.2
99.00838	0.3
101.02441	3.2
113.02468	0.4
129.01921	0.2
134.03697	0.3
134.52148	0.2
137.02467	0.3
147.43924	0.2
152.01138	0.8
161.04584	0.3
167.03488	1.2
173.95987	0.2
175.13092	0.2
193.04994	0.4
194.57721	0.3
226.03250	0.2
335.22342	100.0
336.22757	1.8
349.23911	5.5
377.23334	1.7
420.34866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13887	0.4
59.01385	4.9
60.01731	0.5
61.02802	0.4
61.98843	100.0
67.72630	0.4
78.95909	7.8
80.96323	0.6
82.06076	0.4
88.39600	0.4
89.01704	0.5
93.03201	0.4
97.03740	0.4
103.29861	0.5
152.99602	0.9
172.27310	0.5
226.07700	0.7
281.24866	11.3
282.25186	13.0
282.27939	0.5
283.25540	10.8
283.28589	0.7
284.25870	4.9
506.32718	1.1
507.33298	2.6
508.33032	7.0
509.33371	9.3
580.12506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
59.82316	0.2
63.03020	0.2
83.05014	0.9
92.11742	0.7
147.29843	0.2
235.20691	0.8
248.71281	0.2
253.21742	100.0
254.22046	1.1
272.38074	0.2
346.08722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20665	0.6
55.36580	0.8
56.41574	0.7
60.91020	0.6
76.58175	1.0
78.95901	79.6
79.06892	0.8
96.96407	1.2
96.96967	19.0
110.51408	0.9
116.92870	2.0
118.61317	0.9
151.86215	0.7
152.99588	60.3
154.89786	1.3
218.68124	0.7
223.00160	1.0
241.01218	35.9
255.23352	1.3
259.02338	1.0
269.24890	88.6
270.25092	1.5
301.57547	0.9
315.04926	7.0
405.24182	3.2
425.25922	0.9
460.17944	0.9
539.34015	0.9
585.30493	100.0
586.30731	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71106	1.0
58.99607	1.0
78.95903	79.7
79.96329	1.1
96.96954	19.5
101.15350	1.2
102.74474	1.0
106.26955	1.2
107.32065	1.1
109.54413	1.1
115.92048	1.9
128.15181	1.2
131.89203	1.2
150.98022	1.8
152.99605	68.4
222.99973	1.6
241.01215	38.5
269.24878	100.0
270.25381	1.4
315.05008	10.5
405.24200	2.5
585.20245	8.0
585.30463	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	585.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74749	0.5
59.01385	5.1
60.01732	0.8
61.62035	0.4
61.98837	100.0
76.57549	0.6
78.95908	6.5
96.90968	0.5
107.26979	0.6
112.21109	0.5
112.36247	0.5
117.52621	0.5
139.46886	0.5
152.99582	0.9
190.86992	0.5
206.34113	0.6
224.07007	1.0
226.07458	0.6
242.64925	0.7
252.42542	0.6
256.05722	0.6
283.26440	10.2
284.26776	11.8
285.27060	9.7
286.27469	3.9
359.26776	0.5
508.34189	2.2
509.34711	1.2
510.34766	7.7
511.34885	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	587.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
58.00604	0.5
59.01387	72.9
69.03455	2.3
71.01383	52.0
72.99307	0.9
73.02946	36.9
81.03471	1.0
83.01380	2.9
85.02949	7.1
87.00869	2.0
89.02442	63.2
92.11645	1.2
92.65539	0.5
95.01375	0.9
97.02947	2.5
97.66155	0.4
99.00876	100.0
100.01160	0.6
101.02438	12.5
103.12376	0.5
113.02455	13.3
119.03511	0.7
125.02448	7.1
131.03511	15.4
143.03506	3.4
149.04555	47.2
155.03522	5.6
161.04561	4.4
162.47182	0.4
171.95053	0.4
191.05620	26.9
203.05620	16.5
203.07355	0.8
203.96983	0.5
233.06703	9.2
238.93738	0.5
335.09760	2.8
339.28351	0.5
353.10956	0.8
451.55948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
57.03451	11.8
58.00594	1.8
59.01386	100.0
61.98829	1.2
63.04023	0.8
65.36694	0.8
69.03459	1.6
69.15563	0.7
71.01381	58.6
72.99290	3.3
73.02943	19.5
74.59181	0.9
81.03440	1.0
83.01397	3.6
84.95109	1.8
85.02950	31.5
87.00863	1.1
89.02439	92.1
92.12419	1.9
92.64368	0.9
93.03456	1.7
95.01381	12.3
96.96000	1.2
97.02904	1.3
99.00874	42.4
99.04500	4.0
99.84678	0.9
101.02435	24.6
111.00941	1.6
113.02448	52.9
119.03499	3.8
125.02440	3.7
131.03514	19.8
135.36467	0.9
137.09729	1.2
143.03485	7.2
149.04555	63.2
160.73932	0.9
161.04573	10.5
191.05634	17.2
203.05670	1.3
230.26735	1.0
233.06644	16.6
253.05099	6.5
293.08594	6.3
374.59274	1.2
391.18918	1.0
443.19424	6.5
485.20337	5.5
525.23071	3.4
543.25659	1.3
587.23798	6.0
592.13434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90474	0.7
55.01859	1.7
55.38052	0.6
58.00599	1.0
59.01387	85.4
61.53975	0.8
69.03461	2.8
71.01379	54.4
72.99307	1.8
73.02943	40.7
81.03440	1.6
83.01364	3.3
85.02953	7.5
89.02434	74.2
95.01363	1.3
96.95984	1.1
97.02937	1.2
99.00867	100.0
101.02422	13.9
102.32803	0.8
113.02433	16.3
119.03481	1.2
125.02444	9.0
131.03491	18.0
143.03485	4.3
147.56677	0.7
149.04543	53.7
155.03508	7.4
161.04544	4.4
168.88730	0.7
191.05629	34.5
203.05614	17.7
233.06670	13.0
335.09854	4.2
345.15540	0.8
353.53061	0.9
366.79272	1.0
379.21661	0.8
514.44604	0.9
527.24915	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.5
57.03458	32.2
58.00590	1.0
59.01387	100.0
71.01382	40.3
72.99301	3.2
73.02949	13.3
81.03435	1.4
83.01393	5.5
85.02459	1.1
85.02947	16.9
85.32966	0.7
87.00858	1.3
89.02442	30.7
95.01374	3.7
97.02946	1.0
99.00862	1.6
99.04503	11.0
101.02435	40.0
111.04488	1.4
113.02446	17.9
114.38985	0.9
118.62839	0.6
119.03484	12.1
123.08190	1.0
125.02441	1.0
143.03471	1.4
149.04541	1.0
161.04561	3.8
167.00858	0.7
189.12805	2.6
219.14063	1.0
222.83916	0.8
237.14859	0.9
251.00426	0.7
333.65262	0.7
425.18234	1.1
443.19269	86.4
444.06537	0.7
444.19772	3.7
485.20319	54.9
486.20264	1.4
525.23621	10.7
587.23535	53.8
588.24286	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87407	0.4
53.40524	0.3
53.63110	0.4
54.42959	0.4
57.49876	0.5
58.02976	1.1
62.24165	0.4
62.97910	0.5
63.00858	0.4
63.24610	0.4
67.03021	0.4
71.35812	0.4
72.00913	6.5
74.02480	1.0
75.70545	0.4
82.02983	2.7
84.04546	1.1
85.92427	0.5
91.05534	3.1
99.05630	1.7
105.64189	0.4
109.04078	6.5
112.04078	0.8
118.06628	0.8
122.04845	1.0
124.02779	1.1
127.05138	28.2
128.03540	100.0
145.06209	0.5
147.04527	29.7
155.37346	0.6
162.05577	0.6
164.07184	64.9
185.07109	0.6
213.10390	4.8
231.11371	0.9
237.71579	0.5
257.09326	10.4
275.10437	21.8
293.11478	59.4
294.11768	1.8
374.66354	0.5
421.10034	0.4
458.90179	0.5
556.17120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	2.2
67.02998	0.4
72.00911	7.9
73.14555	0.3
74.02471	1.9
80.40245	0.4
82.02978	3.0
84.04539	2.6
86.02474	0.8
91.05540	4.6
91.53378	0.4
99.05619	2.1
101.07205	0.4
109.04084	7.8
109.30567	0.4
111.60275	0.4
112.04010	0.9
118.06638	1.9
122.04868	0.9
124.02753	0.7
127.05128	29.1
128.03528	100.0
145.06213	0.6
147.04521	28.0
159.29015	0.4
164.07169	62.1
171.09349	0.8
185.07214	0.8
213.10294	4.9
231.11470	0.6
239.63475	0.4
249.12564	0.5
257.09372	9.6
275.07407	0.7
275.10403	20.2
293.11462	53.9
294.11710	0.8
370.09241	0.5
440.43307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73211	0.3
59.01390	0.6
78.95905	58.7
87.50792	0.4
92.92807	0.6
93.84517	0.4
96.96958	6.3
110.57491	0.4
113.09708	0.7
130.79543	0.4
150.98012	0.9
152.99605	100.0
171.00636	0.7
276.02734	3.1
279.20398	0.9
279.23331	18.4
279.26395	0.7
293.21210	4.7
294.21567	1.8
308.05472	2.7
358.57333	0.5
415.22656	0.6
433.23743	2.8
556.26849	0.8
588.29541	36.3
589.29840	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	589.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99918	0.5
55.01873	3.6
57.03453	5.4
57.03666	0.5
57.25787	0.6
58.00607	0.8
59.01386	100.0
69.03458	1.1
71.01380	52.1
72.99308	1.0
73.02944	34.3
81.03448	1.1
83.01378	6.0
83.05040	0.9
85.02461	1.1
85.02942	20.1
87.00882	1.6
89.02441	32.5
92.11745	1.5
95.01405	4.8
97.02936	2.8
99.00873	85.8
101.02437	25.9
109.48122	0.8
113.02444	24.8
113.03182	0.9
119.03465	3.1
125.02402	4.4
131.03506	10.6
137.90558	0.7
143.03506	3.5
149.04553	28.3
155.03529	1.6
159.02910	0.9
161.04576	8.1
191.05630	29.2
203.05632	11.9
209.15582	1.3
233.06728	6.6
253.04973	1.2
335.09897	1.5
371.20642	1.4
413.21924	1.5
503.24991	13.7
545.26135	66.7
546.26300	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	591.1
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.2
59.01380	0.5
60.99314	7.0
61.80519	0.2
66.79491	0.2
67.11475	0.2
67.54021	0.2
81.03461	0.8
83.01401	0.4
85.02953	1.6
88.98804	39.7
91.01883	0.4
96.96014	2.0
98.95600	0.9
99.04490	0.2
100.54028	0.2
109.02924	0.2
111.00873	1.0
115.92047	0.3
116.92828	1.0
121.02905	0.3
122.00082	0.2
127.03971	0.5
128.03423	0.2
133.02950	1.2
134.03754	1.0
137.02422	2.1
137.57930	0.2
141.20908	0.2
153.01910	0.2
155.03519	0.3
167.03632	0.4
171.03001	0.2
181.01442	1.3
181.06610	0.3
190.06668	0.3
193.05087	0.5
196.05286	0.3
197.06148	0.5
208.05319	0.8
209.06100	1.1
223.03909	0.8
224.04845	1.7
225.05566	0.7
228.09006	0.2
252.04309	2.0
253.05092	100.0
254.05467	1.3
397.09094	0.8
591.16449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03452	2.6
59.01394	3.5
60.99321	19.6
65.00336	0.6
68.45470	0.4
70.11703	0.4
70.20352	0.4
71.00291	0.4
71.01397	1.0
72.99283	0.4
81.03459	5.6
83.01400	3.6
85.02962	8.8
88.98811	100.0
89.49901	0.5
91.01879	0.5
93.03453	0.6
95.05004	0.8
96.07391	0.5
97.08931	0.6
98.76614	0.4
99.04549	4.2
105.03462	4.5
109.02930	0.7
111.00877	6.2
117.03452	0.9
121.02954	9.7
122.00098	0.7
123.00894	2.0
123.04538	2.9
126.27976	0.5
127.03993	5.9
129.01938	5.0
133.02963	11.6
134.03751	4.6
135.04587	0.6
137.02452	6.1
137.81865	0.5
138.03203	0.6
145.02953	0.5
152.01123	0.5
153.01933	0.6
153.05548	7.1
155.03526	2.1
163.03983	0.8
166.99886	0.8
167.03496	3.4
168.07210	0.5
171.03041	2.9
173.02625	0.5
177.01906	3.5
181.01433	4.3
182.02145	3.5
193.05112	2.2
197.04567	13.5
211.55515	0.5
215.02065	1.1
216.91309	0.4
218.86256	0.5
252.04266	1.9
253.05084	52.0
265.07251	1.0
269.04489	0.9
411.16718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48441	0.6
55.01886	6.0
56.37780	0.7
57.03459	17.4
59.01112	0.9
59.01389	17.4
64.34458	0.7
65.00315	1.6
67.01896	1.5
71.01389	6.7
72.99295	1.7
73.02953	3.4
75.00865	1.7
81.03430	1.3
83.01380	13.5
83.05029	1.3
84.02177	6.6
85.02950	89.5
87.00869	1.2
89.22235	0.9
91.01899	13.5
94.24911	0.8
95.01352	1.6
95.04987	0.8
97.02809	0.9
99.00848	3.4
99.04519	19.5
101.02441	3.8
103.94580	0.7
108.02177	18.2
109.02937	5.2
109.06584	8.3
111.00881	27.6
111.04551	1.6
111.08179	1.5
113.02452	3.3
113.06126	0.8
121.06570	5.7
123.00916	5.7
123.04519	53.4
123.08182	1.2
124.01683	6.8
125.02427	0.9
129.01941	17.0
134.03712	1.2
136.01680	1.1
139.00293	0.8
139.07661	15.9
146.01208	1.0
147.04497	3.4
149.06053	2.6
150.68761	1.0
151.00293	1.0
151.03995	1.3
152.01157	20.2
154.99834	0.8
155.03458	0.7
163.04012	1.4
166.02734	1.6
167.03499	100.0
167.07129	13.3
168.03925	1.0
174.03195	1.8
189.05571	1.2
192.04289	7.5
207.06659	9.4
211.06163	9.9
225.77544	0.9
235.06142	27.4
236.97559	0.8
255.05124	4.5
263.55881	0.7
269.04453	1.0
279.04987	4.1
282.76636	0.9
291.07394	1.0
297.06180	1.9
323.03955	1.3
325.19980	1.0
341.05243	1.5
379.10413	2.9
441.10361	1.2
547.27985	7.2
547.83051	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48216	0.4
55.01897	6.7
57.03244	0.5
57.03465	8.7
59.01384	3.6
65.00323	2.1
67.01884	1.1
68.79041	0.5
68.99822	0.5
69.03441	0.6
69.71236	0.4
71.01366	2.6
72.99304	2.0
80.02650	0.6
81.03439	0.9
83.00921	0.8
83.01388	16.8
83.04998	1.0
84.02158	5.8
85.02948	48.3
91.01884	16.8
91.13659	0.5
93.03439	2.8
94.04220	0.7
95.04996	0.9
99.00857	0.8
99.04504	29.1
108.01450	0.9
108.02172	22.4
109.02979	4.9
109.06581	18.0
110.03722	1.8
111.00874	27.0
111.04525	5.4
111.08161	4.3
111.08790	0.5
121.06567	7.9
123.00864	3.4
123.04509	56.2
123.08071	0.6
124.01637	3.0
124.05300	0.9
125.02414	0.7
127.05088	0.5
129.01913	13.1
136.01630	1.1
137.06036	0.8
139.00308	0.6
139.07642	18.7
147.03008	0.7
149.06088	2.0
151.04010	2.0
152.01146	32.0
164.04768	0.7
166.02713	2.3
167.03488	100.0
167.07143	10.9
174.03218	0.6
192.04306	4.5
207.06731	4.7
211.06119	12.2
229.07111	2.2
235.06136	16.2
237.04073	0.6
255.05038	3.2
273.06189	1.0
279.05106	1.7
297.06204	1.9
323.03949	2.0
341.05164	1.0
379.10312	1.0
381.28180	0.6
441.10690	0.9
533.13190	0.6
547.27698	0.8
569.48193	0.6
584.99811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	9.9
57.03456	25.2
57.03740	0.8
59.01383	5.4
61.98848	0.6
64.38331	0.4
65.00321	2.2
67.01881	3.6
68.99825	0.7
71.01385	3.6
72.99302	2.6
73.02949	0.7
75.00851	0.6
80.02658	0.4
81.03444	0.8
83.01385	32.9
84.02173	3.3
85.02948	100.0
86.03270	0.5
87.00865	0.9
88.98811	0.4
89.02462	0.5
91.01890	11.9
92.11753	1.1
93.03439	1.0
95.01382	2.0
96.96000	0.6
99.00887	2.1
99.04517	19.3
101.02425	0.9
103.00378	0.5
104.94099	0.4
108.02171	31.6
109.02975	3.3
111.00879	64.9
113.02405	0.6
116.92892	0.4
123.00878	12.6
123.04514	54.9
124.01657	11.8
124.04843	0.6
125.02430	1.0
127.00377	0.5
129.01932	61.1
133.02986	0.5
136.01663	4.2
136.98862	0.8
137.02422	1.8
138.03302	0.5
139.00378	0.9
139.07726	0.8
146.03658	0.7
147.02972	2.6
147.04514	1.8
150.03148	0.4
151.00374	0.7
151.04025	0.8
152.01147	38.3
153.05528	0.8
154.99847	3.5
156.13348	0.4
161.02344	0.6
163.03993	5.2
164.04825	4.9
166.02699	3.9
167.03491	99.9
167.07152	1.9
168.03909	0.8
173.00951	3.7
173.02174	0.5
174.03210	4.4
175.03976	0.8
176.04773	1.1
177.01939	0.6
181.05104	1.0
189.05582	2.6
190.02750	1.0
191.02007	0.5
191.03529	0.4
191.07124	0.9
192.04297	18.6
202.02786	0.8
205.04935	0.5
207.03009	1.9
207.06645	27.0
215.01976	0.5
220.03789	2.9
229.07233	0.7
233.04578	1.0
235.06129	44.2
251.05721	0.7
261.04031	1.9
273.06207	4.5
279.05109	14.2
291.07175	1.8
297.06247	4.3
323.04187	7.7
341.05444	1.4
425.56860	0.5
441.10223	3.8
447.09546	0.6
547.24805	0.5
572.09082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
55.26651	0.8
57.03460	9.1
58.00608	1.0
59.01388	99.9
71.01382	28.7
73.02931	5.0
81.03451	1.3
83.01369	4.9
83.05028	1.8
85.02955	15.1
85.11196	1.1
87.00881	13.8
88.98785	4.1
89.02445	35.1
95.01388	3.8
95.05025	1.4
96.96042	1.1
97.06584	2.4
99.04504	1.5
101.02430	14.2
105.03469	1.2
107.05009	8.7
109.06654	1.1
111.00842	1.8
113.02451	9.9
117.03466	1.0
119.03513	10.6
120.05815	1.6
121.02917	2.0
123.04515	1.6
127.04004	2.2
131.03441	1.1
133.02930	7.9
134.03764	1.5
135.04527	4.3
137.02417	1.2
152.04877	1.5
159.08289	1.2
159.11815	1.6
161.04517	1.9
161.09723	20.1
161.13356	7.8
163.11304	4.8
167.03482	1.3
169.16415	0.9
177.01852	1.7
179.05643	1.9
179.10744	1.7
181.01375	2.1
185.09653	1.3
185.13333	3.6
187.11296	28.2
189.09137	12.7
193.05066	1.7
197.04579	1.7
203.10748	6.9
205.12370	9.7
207.10271	4.1
223.13432	51.0
229.12297	2.5
231.10205	1.2
249.11333	5.6
253.04948	2.4
265.07028	1.5
267.12408	25.3
291.12244	2.1
309.13531	4.5
339.14761	8.2
341.10886	6.6
347.90051	1.2
357.13556	1.3
369.15717	45.2
411.16800	1.7
429.17712	100.0
591.23022	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48297	0.4
53.42653	0.4
55.91797	0.4
60.65364	0.4
63.02388	0.5
75.69280	0.5
85.02945	0.7
86.66927	0.5
107.01376	3.0
108.02163	4.2
109.02979	0.6
111.40741	0.5
119.05033	0.9
132.02135	0.6
135.00900	1.1
145.20532	0.5
151.00392	2.7
152.01129	8.0
162.55067	0.6
163.00343	1.1
163.03998	0.6
178.99843	0.8
183.04576	1.0
185.06180	0.6
185.79918	0.6
187.03931	0.6
211.04062	1.2
227.03503	40.7
228.04086	0.9
229.05034	4.5
235.61716	0.6
239.03517	0.6
255.02991	77.4
256.03723	5.5
257.04572	3.2
283.02515	1.0
283.06049	0.6
284.03268	100.0
285.04007	22.9
447.11313	0.9
593.15198	62.2
594.15295	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18692	0.1
64.86404	0.1
71.01379	0.1
103.49911	0.1
108.02029	5.7
118.89598	0.1
121.02908	0.2
124.30466	0.2
126.03094	0.2
128.03526	1.0
151.02609	100.0
152.03065	0.2
153.46031	0.1
164.07025	0.2
170.63829	0.1
172.33835	0.1
180.06532	0.2
199.97356	0.1
251.10327	0.2
283.06845	34.5
284.07141	0.2
293.99911	0.1
309.11002	0.2
444.04044	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	593.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50414	0.8
59.01363	0.9
72.00912	8.9
82.02985	1.5
84.04526	1.6
85.32635	1.0
86.51188	1.0
91.05541	1.7
93.03459	6.7
99.05663	1.2
101.07134	1.0
109.04070	6.1
121.02927	1.2
127.05121	32.0
127.06003	1.7
128.03529	100.0
137.02455	16.5
147.04523	27.5
150.75536	0.9
164.07169	59.8
195.35059	1.1
203.13228	1.1
213.10373	5.0
257.09320	10.1
275.10400	19.1
293.11469	49.0
294.11679	1.7
299.07846	1.1
366.37103	1.1
370.49515	1.2
395.00745	1.1
509.50818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
78.95899	76.7
83.65965	0.4
92.12306	0.6
96.96947	18.4
97.83551	0.4
105.85093	0.4
125.90689	0.4
150.98006	0.8
152.99588	62.4
173.63097	0.5
223.00116	1.8
241.01207	33.2
259.02191	1.8
277.21741	66.0
277.42334	0.5
278.22083	1.7
315.04904	7.6
348.67865	0.4
413.20978	5.7
593.27423	100.0
594.27728	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	593.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56111	0.3
59.01389	4.4
62.41938	0.2
63.74386	0.2
68.98142	0.3
78.95911	2.6
81.62348	0.3
96.36531	0.3
108.81113	0.3
125.09715	0.7
151.81256	0.3
221.19130	0.5
239.20180	100.0
240.20328	1.1
251.00113	0.3
269.24783	0.6
394.52426	0.4
448.10522	0.3
448.53922	0.3
457.61914	0.3
504.03271	0.3
593.34485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66718	0.9
52.81440	0.9
72.89561	1.1
283.26440	64.0
309.28030	100.0
427.83594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49324	1.5
57.03458	2.6
59.01391	27.3
78.95909	34.0
85.02961	9.8
121.02966	4.0
122.21867	2.1
152.99602	4.4
168.04323	3.0
171.10144	2.4
195.13927	18.9
224.07008	8.1
242.08105	4.0
246.57674	2.5
277.21771	22.2
295.22797	71.4
520.30518	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	594.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54761	0.6
71.23943	0.5
72.41372	0.5
78.95901	11.6
79.28696	0.5
85.02950	0.7
104.85565	0.6
112.00713	0.6
113.09726	13.0
122.00143	1.0
140.01198	5.9
141.09236	0.8
141.68161	0.5
152.99686	0.7
159.10272	100.0
196.03824	3.2
255.20605	1.3
255.23289	39.1
256.23822	0.7
277.27063	0.6
420.45963	0.7
452.27811	2.6
503.07861	0.7
594.37903	24.2
595.38312	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	594.396
Annotation	Unknow
Peak:m/z	Relative Intensity
63.44637	0.6
67.44539	0.5
69.96814	0.5
72.11484	0.5
75.47299	0.5
99.92583	100.0
100.92606	0.6
115.92068	7.7
116.92846	3.9
131.91594	0.6
141.93605	1.1
159.50803	0.6
210.32021	0.6
255.23311	22.0
296.82507	0.7
338.15598	22.1
352.13373	0.8
450.78073	0.7
539.41644	0.8
594.39673	57.0
595.39960	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	595.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.3
57.03191	1.0
57.03456	23.3
59.01381	3.1
63.84388	0.6
68.99812	0.7
71.01383	6.7
71.61150	0.6
72.18759	0.5
72.99286	0.7
73.02945	0.7
77.78178	0.5
83.01388	6.0
84.02157	1.4
85.02948	100.0
87.00838	0.7
90.02029	0.6
90.91949	0.5
92.05035	6.1
92.11758	0.8
101.02430	1.0
111.00871	10.9
115.00331	1.1
121.02947	18.0
122.95046	0.6
123.00906	1.5
129.01932	27.8
136.04047	11.6
137.02426	0.6
137.04381	3.6
138.03258	1.5
139.00371	1.2
139.04022	1.4
147.03004	7.8
147.04463	2.1
149.02451	20.1
153.05576	9.0
164.04793	13.0
166.99899	1.0
170.36177	0.6
173.00876	7.0
175.00424	0.9
179.07144	1.1
181.76653	0.6
182.02194	3.9
190.02737	2.9
191.01913	6.0
197.04567	15.7
205.05112	2.9
208.03798	0.9
209.03082	0.8
222.05455	1.0
223.06165	13.7
253.05238	1.2
255.61952	0.7
265.07208	4.8
291.08768	1.5
327.07224	6.6
371.06290	1.2
373.25916	0.7
389.07486	3.0
397.07904	1.0
576.77814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30226	0.4
55.01897	4.6
57.03460	23.0
59.01384	2.7
61.34833	0.4
67.25175	0.4
68.99810	0.8
71.01378	2.5
73.02942	0.5
77.16783	0.3
83.01384	7.5
84.02164	2.8
85.02947	100.0
87.00864	1.6
89.00309	0.5
93.03461	0.4
101.02466	0.6
106.00582	0.9
109.02820	0.4
111.00872	11.6
121.02943	22.4
123.00873	0.9
129.01920	19.6
138.03230	2.4
139.00374	0.6
147.03001	10.0
147.04346	0.6
149.02432	9.9
153.05569	15.2
153.55124	0.4
164.04810	6.2
173.00912	6.3
175.00410	1.8
177.01929	0.6
179.07175	0.7
182.02266	2.7
190.02669	4.0
191.01956	6.3
191.03462	0.8
193.01416	0.5
196.03745	0.4
197.04553	23.0
202.55104	0.4
205.05054	4.8
208.03796	1.9
209.02968	0.7
223.06082	5.8
228.04024	0.4
233.04463	0.7
237.07614	0.6
254.75322	0.4
255.03075	1.7
256.03442	0.7
265.07172	4.9
284.03323	1.7
285.03830	1.6
286.03915	0.6
291.08801	3.0
327.07126	5.4
353.08887	0.7
371.06143	5.5
389.07272	2.7
397.07681	0.5
594.15369	0.6
595.15833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82453	0.5
55.01894	4.0
56.42365	0.4
57.03458	21.9
59.01397	3.9
63.89092	0.4
67.01897	0.5
69.89375	0.4
71.01378	2.9
72.99310	0.8
75.00867	0.6
79.47147	0.4
83.01398	5.9
84.02187	1.8
85.02960	100.0
111.00887	11.4
120.36489	0.5
121.02956	11.0
123.00895	1.9
123.68824	0.4
129.01936	29.0
138.03236	1.2
139.00403	2.1
139.04070	0.8
147.03024	9.4
147.04562	1.1
149.02457	21.0
153.05573	6.5
163.04065	0.5
164.04807	11.5
165.46986	0.5
166.99899	0.9
173.00908	9.0
182.02261	3.2
190.02867	0.9
191.02017	7.1
197.04552	11.8
199.30193	0.4
205.05153	1.0
208.03857	0.8
209.03069	1.0
222.05260	1.9
223.06151	15.2
237.07597	0.7
265.07208	5.1
291.08743	0.9
327.07312	5.5
353.08932	1.0
371.06503	2.0
389.07480	2.4
397.07971	2.4
415.09024	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	595.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59099	0.4
53.63156	0.4
55.01895	4.7
57.03459	25.1
58.11872	0.4
59.01384	2.2
71.01418	1.4
73.02933	0.5
80.84540	0.5
83.01392	6.3
83.35577	0.4
84.02168	1.7
84.18601	0.4
85.02956	100.0
86.98508	0.5
87.00883	0.5
91.01908	0.4
111.00865	10.7
119.04961	0.4
121.02943	13.1
123.00877	2.6
126.42416	0.4
129.01932	32.5
138.03247	2.7
139.00365	0.8
139.04042	0.7
139.87106	0.5
147.03006	8.9
147.04434	0.8
149.01256	0.9
149.02434	20.8
149.03564	0.8
153.01837	0.6
153.05557	8.1
153.95802	0.5
157.97762	0.4
161.69865	0.5
163.04086	0.6
164.04791	14.4
166.99831	0.5
173.00912	6.3
179.07024	0.6
182.02225	4.1
190.02774	2.0
191.01997	6.0
193.01479	0.7
197.04543	14.8
197.06242	0.6
205.05070	2.5
207.03094	0.5
208.03886	1.0
209.03049	1.7
211.06113	0.7
222.05310	0.8
223.06134	15.1
237.07735	1.7
259.87103	0.5
265.07065	4.2
291.08795	1.6
327.07388	5.5
371.06210	1.7
389.07440	0.7
397.07877	1.1
415.08966	2.3
460.78491	0.5
490.32684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.7
57.03453	21.9
59.01385	3.0
60.91096	0.4
67.31488	0.4
71.01375	2.8
72.99304	0.8
75.00856	0.5
83.01380	5.5
84.02163	2.5
85.02945	100.0
86.03283	0.4
87.00874	0.7
99.00868	0.4
103.00372	0.5
103.20292	0.5
111.00865	11.7
121.02944	8.3
123.00838	0.8
129.01927	25.7
138.03189	0.9
139.00345	1.7
145.01511	0.6
147.03003	9.1
147.04358	0.7
149.02429	14.6
153.05547	5.1
164.04764	8.7
166.99892	0.9
173.00902	7.0
179.07126	0.5
182.02272	2.0
182.12396	0.4
190.02692	0.8
191.01956	11.5
197.04559	11.6
205.05042	0.6
208.03860	0.5
209.03035	3.8
222.05463	0.5
223.06120	10.7
226.68822	0.5
237.07642	0.5
265.07150	4.1
327.07202	5.7
353.09042	0.5
371.06201	1.8
389.07269	5.0
397.08038	1.0
415.09140	0.9
417.58310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03459	4.6
57.14581	0.4
59.01389	27.7
61.98817	0.4
63.02415	0.4
65.00322	0.9
71.01366	2.8
71.97398	0.4
73.02929	2.0
75.39925	0.4
81.03423	1.0
83.01380	2.0
85.02470	0.5
85.02953	12.0
89.02406	1.1
93.03466	0.8
95.01383	0.5
101.02429	1.0
107.01366	2.2
108.02171	29.5
111.00851	0.9
113.02437	0.7
117.03412	0.6
119.05019	0.5
121.02972	0.8
123.04516	16.2
125.02437	9.6
129.01912	3.6
133.02957	0.5
145.02930	2.6
147.03008	0.8
149.02428	2.3
151.00366	5.2
152.01155	71.4
152.76073	0.4
153.01926	1.9
153.05568	0.7
164.04854	0.6
167.03494	100.0
171.10294	0.6
172.05295	1.0
178.99873	0.9
179.10727	2.0
191.02022	0.9
197.04576	1.6
197.06151	0.7
215.07167	1.9
223.06136	0.7
241.05069	1.0
243.06786	0.5
247.09781	0.8
259.06128	11.3
269.01941	0.6
269.04590	12.8
287.05637	2.1
307.11813	0.6
328.64185	0.5
329.23303	1.8
347.24475	2.3
351.18027	1.5
351.64819	0.5
367.13947	0.9
418.35028	0.5
427.16644	0.5
436.87662	0.5
491.19223	10.0
491.27148	0.7
491.28381	0.6
509.29727	2.0
535.18365	2.0
551.30664	9.4
577.13562	0.7
595.14722	2.8
595.22034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.3
57.03445	7.1
59.01385	100.0
67.17894	0.5
69.03468	1.1
71.01379	32.5
72.99318	1.1
73.02943	26.0
75.00874	1.3
83.01379	6.4
85.02946	30.5
87.00885	2.9
89.02437	7.7
95.01385	1.5
97.02922	1.3
99.00849	5.6
99.04534	0.8
101.02428	27.8
106.07233	0.6
111.00886	3.1
113.02443	11.0
119.03502	1.5
121.02943	1.2
125.02429	2.9
129.01923	4.1
131.03485	1.5
149.02469	2.9
153.05667	0.8
155.08627	0.8
161.04512	7.6
164.04753	0.9
183.11839	1.0
185.13362	2.8
191.01974	1.1
197.04694	1.2
199.11452	1.0
207.08661	0.8
211.11293	10.8
215.14496	0.9
220.61456	0.7
221.13454	2.7
223.06026	1.1
223.14909	20.7
237.12837	4.0
239.14459	3.6
241.15991	19.5
243.53368	0.8
253.05029	10.4
255.10223	4.3
257.15341	0.7
267.13898	4.4
285.15155	1.4
329.14020	13.5
403.21365	3.7
421.22345	6.1
451.21851	1.5
507.22452	9.6
509.20334	0.8
544.27301	2.7
551.21411	65.0
551.29749	2.3
552.20667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08235	0.8
55.01883	5.4
57.03452	15.2
59.01384	100.0
60.01731	1.5
71.01379	29.1
73.02945	27.3
75.00862	4.6
83.01398	9.5
85.02949	45.3
87.00876	4.5
89.02465	7.8
93.03454	1.6
95.01382	2.0
96.95985	1.6
97.02935	1.5
99.00867	5.2
99.01994	0.9
99.04483	2.1
101.02435	27.3
108.02193	1.4
111.00875	5.1
113.02443	12.1
116.92862	1.6
119.03520	1.4
121.02976	4.0
125.02449	1.8
127.05061	1.1
129.01929	8.1
130.08751	5.7
131.03452	1.2
137.02382	1.3
138.03174	1.0
141.06682	1.4
147.03001	1.9
149.02505	7.5
152.01178	6.6
155.08644	1.6
161.04562	5.1
164.04793	1.8
167.03508	8.8
170.09413	1.0
173.00946	1.4
173.09718	2.0
183.08173	1.9
185.13364	5.6
191.02025	1.2
193.77155	1.1
197.04559	4.4
199.71497	1.3
211.11331	16.1
223.06152	2.0
223.14920	23.1
231.11203	1.7
237.12975	1.7
239.14462	5.4
240.19473	1.2
241.15990	30.3
255.10283	7.2
267.13965	8.5
285.14828	2.3
310.63293	1.2
311.13025	1.3
329.14011	14.7
403.21301	1.1
404.19498	1.6
421.22244	1.6
451.21988	2.5
507.22357	12.8
543.77026	1.1
551.21356	87.9
551.77185	1.2
552.20630	1.3
552.76892	1.6
553.27338	1.7
573.26135	1.8
573.75983	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	595.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89861	2.2
57.03457	5.6
59.01116	4.5
59.01392	100.0
71.01402	29.0
71.02388	2.1
73.02953	35.1
77.43214	2.4
79.97259	2.8
83.01368	13.8
85.02952	29.8
89.02446	5.4
101.02438	30.6
111.00930	3.2
113.02395	9.3
124.56320	2.5
129.01950	5.0
134.39638	2.5
144.06065	2.6
149.02495	5.3
161.04579	5.7
223.06006	3.0
238.12018	2.5
386.10861	2.7
417.01532	2.9
504.74527	3.1
543.96942	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	595.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00691	0.5
54.82519	0.5
55.01888	7.7
57.03457	58.7
58.00589	1.0
58.03773	0.5
59.01387	71.5
60.01710	0.5
65.17052	0.5
66.92909	0.5
69.03448	0.6
71.01383	61.8
72.99304	2.1
73.02538	0.9
73.02945	21.0
75.00882	2.8
75.17419	0.5
75.75427	0.5
81.03465	1.0
83.00928	0.7
83.01391	12.3
84.02168	0.5
85.02950	47.8
86.03286	0.7
87.00881	3.8
88.98795	0.9
89.02440	15.7
91.22102	0.5
95.01389	5.4
97.02928	2.9
99.00867	11.0
99.04530	7.0
101.02437	55.9
103.00425	0.6
111.00883	2.1
112.01595	0.6
113.02445	31.1
116.92849	0.7
117.77928	0.5
119.03501	3.4
121.02965	3.9
122.02484	0.7
124.54342	0.5
125.02443	11.6
129.01921	3.3
129.64284	0.5
131.03476	1.0
143.03490	2.8
149.02455	0.9
159.02965	3.2
161.04562	15.9
164.04869	0.7
167.03519	0.5
181.57344	0.5
197.04590	1.1
221.06702	0.7
269.04520	0.8
289.16577	9.8
306.46854	0.8
317.97629	0.6
327.07159	0.6
331.17612	1.1
424.89386	0.6
433.20639	2.1
451.21915	100.0
452.22290	2.7
493.22998	39.6
494.22882	0.7
533.25934	5.7
544.26758	0.9
551.20923	0.6
595.26099	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	595.29
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.08570	0.4
53.31330	0.3
56.03072	0.4
69.77924	0.5
78.95903	69.4
80.99659	0.5
86.77834	0.4
92.11748	0.9
96.96951	16.2
96.97560	0.8
150.98021	1.1
152.99594	65.1
223.00198	2.2
241.01204	34.4
279.23312	88.3
280.23560	1.8
315.04910	8.7
353.40042	0.6
415.22708	4.2
443.27252	0.6
474.74036	0.5
595.28998	100.0
596.29346	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	595.2901
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.02707	0.5
53.32626	0.5
57.03446	0.9
59.01374	1.3
61.98831	0.6
63.89613	0.5
65.16126	0.6
65.35793	0.5
70.68956	0.6
78.95903	100.0
83.01344	0.6
85.02939	4.3
95.47891	0.5
96.96328	0.9
96.96951	19.0
115.27547	0.6
118.98606	0.5
125.02482	0.6
129.01964	0.6
150.97960	1.2
152.99588	87.6
160.15172	0.6
171.00655	12.9
191.01961	0.7
196.68631	0.5
204.82414	0.6
223.00150	15.3
239.18193	0.6
241.01183	19.1
247.46768	0.6
279.23306	19.9
295.22803	2.4
296.23065	2.0
315.04837	2.6
333.06000	7.8
398.56757	0.7
405.49133	0.8
499.91980	0.8
503.24133	1.3
520.30603	0.9
521.30792	2.7
595.28979	69.2
596.29779	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.5
56.75156	0.6
57.03466	8.4
59.01394	100.0
60.16194	0.5
60.99303	0.6
61.98834	0.9
68.76196	0.5
71.01394	19.6
72.99317	0.8
73.02956	7.8
75.00878	1.3
83.01398	5.7
85.02952	34.2
87.00875	2.8
89.02441	7.7
89.22596	0.6
95.01370	2.3
97.06539	0.5
99.00902	4.8
99.04487	0.7
101.02438	13.5
102.97805	0.6
108.72661	0.6
111.00893	3.9
113.02441	6.8
119.03483	2.8
120.10410	0.7
121.02925	4.1
122.03722	4.3
123.04597	0.6
125.02431	0.9
125.09732	0.6
129.01942	5.8
131.03490	2.4
137.06073	2.4
147.03018	1.0
149.02417	2.7
153.05591	2.6
161.04616	2.7
164.04823	1.5
167.03568	0.7
169.29436	0.6
173.00873	1.0
182.02184	0.9
191.01894	1.3
192.75711	0.6
197.04570	3.3
223.06136	1.5
253.05008	5.4
265.07001	0.9
287.22321	1.4
311.21957	0.6
316.77365	0.6
329.23407	1.1
347.24280	2.8
431.26276	0.8
447.29639	8.8
451.35724	0.8
471.24240	1.2
491.28625	4.1
509.29636	4.1
529.26813	4.5
529.77008	2.4
533.29620	1.0
551.30823	72.8
552.31952	1.9
552.76776	0.8
595.20551	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39948	0.3
55.01883	6.8
57.03463	11.5
58.84540	0.3
59.01395	4.5
60.01722	0.3
65.00318	0.5
67.01901	0.8
68.99830	1.0
70.73592	0.3
71.01395	4.6
72.99304	0.6
75.25269	0.4
75.29976	0.3
81.36919	0.4
83.01398	12.4
84.02164	1.8
84.85184	0.4
85.02960	59.9
88.72845	0.4
89.00323	0.7
89.38999	0.4
95.01402	0.7
99.00896	0.7
101.02409	0.7
106.00602	0.9
109.02983	0.7
111.00885	21.2
113.02427	0.6
115.05563	0.7
121.02952	100.0
123.00884	6.5
124.01704	0.5
125.02467	0.6
127.00352	2.6
129.01953	9.3
131.05022	5.7
133.02943	1.5
133.06587	18.3
135.04510	0.8
135.67711	0.4
136.98781	1.5
137.02440	4.7
137.99539	0.6
138.03223	8.7
139.00374	11.1
139.01369	0.6
139.03996	1.6
141.01906	0.7
143.05023	2.5
147.04536	0.5
151.00394	0.6
153.01978	1.0
153.05585	17.9
154.02734	0.7
155.03485	0.9
159.04523	4.5
161.02464	0.6
161.06091	20.7
163.04016	1.8
166.02682	0.8
166.99878	2.5
173.00893	0.6
178.02715	0.4
179.03510	2.7
181.01465	0.8
181.05135	0.5
182.02200	8.6
187.03915	0.9
189.02003	1.9
189.05579	18.7
191.03569	0.9
193.05095	0.9
194.05986	0.6
196.03801	2.1
197.04576	26.1
204.04372	0.8
207.02997	2.9
217.01453	1.0
219.02931	0.5
219.06512	0.6
222.05318	6.2
233.04613	6.1
235.02524	0.5
237.07697	5.5
243.98276	0.5
250.04881	1.7
251.05643	0.7
265.07187	23.3
277.03625	2.1
291.04935	0.6
295.04712	0.7
309.06189	2.7
348.09250	0.4
431.10086	0.8
560.38092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82649	0.2
55.01888	5.5
57.03459	3.2
59.01398	1.8
65.00342	0.2
66.74458	0.2
67.01907	0.8
68.99816	0.2
71.01383	1.3
71.44363	0.2
72.99307	1.1
76.47763	0.2
77.03969	0.2
80.83170	0.2
83.01392	12.4
83.01897	0.4
84.02156	0.6
85.02950	17.7
85.38756	0.2
87.00854	0.2
89.00347	1.9
89.02446	0.3
91.01892	0.5
93.03400	0.3
95.01393	1.2
99.00898	0.4
101.02416	0.4
106.00601	2.0
111.00883	20.5
112.01273	0.3
113.02446	0.3
115.05535	1.8
121.02951	100.0
122.03291	1.4
122.85275	0.2
123.00874	9.1
127.00378	1.3
129.01959	3.3
131.05025	6.5
133.02953	2.3
133.06593	24.6
134.06879	0.3
135.04527	0.9
136.98807	0.8
137.02446	1.1
137.09763	0.5
138.03220	6.7
139.00372	2.7
139.04008	0.6
143.05037	3.7
153.02095	0.3
153.05577	19.7
154.02725	0.5
154.99861	1.0
158.03720	1.0
159.04520	4.0
161.06087	22.4
162.06369	0.4
163.07658	0.3
166.02724	0.3
166.99861	8.3
171.04469	0.3
173.00861	0.3
173.27325	0.2
177.05568	0.2
179.03415	0.3
181.01408	0.4
182.02213	20.0
187.04066	0.3
189.05582	16.7
191.03439	0.4
196.03806	0.9
197.04570	45.3
198.04907	0.5
207.03111	0.5
213.92961	0.2
217.01506	0.3
222.05424	1.9
233.04572	5.4
237.07661	2.0
250.04825	0.4
251.05617	0.4
259.02634	0.9
265.04605	0.4
265.07211	6.9
277.03653	1.6
291.05341	0.2
295.04645	0.5
309.06152	1.6
335.30145	0.2
353.05225	1.8
355.08511	0.3
431.09360	0.3
597.29486	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.9
57.03196	0.4
57.03456	7.7
59.01374	1.8
65.00321	0.3
67.01873	0.5
67.05064	0.3
67.81777	0.3
68.99798	0.7
69.51814	0.3
71.01375	3.5
72.99305	1.3
73.02908	0.4
74.47065	0.3
78.95872	0.5
83.01385	8.6
84.02158	1.3
85.02943	38.9
86.03268	0.3
87.00844	0.4
87.73254	0.4
88.98795	1.7
97.02957	0.4
99.00874	0.5
101.02441	0.6
106.00576	0.5
111.00875	12.5
115.05536	1.3
121.02939	100.0
122.03266	0.7
123.00853	4.1
124.01619	0.4
125.99575	0.4
127.00433	1.1
129.01926	5.6
129.61124	0.4
131.05008	5.4
133.02951	2.2
133.06578	21.3
135.04515	1.8
136.98799	1.2
137.02434	2.5
138.03214	3.6
139.00375	4.8
139.04008	0.5
143.05042	0.4
151.00372	0.3
153.01944	0.5
153.05568	8.8
153.06691	0.5
153.99084	0.4
154.99841	1.3
158.03702	0.6
159.04509	3.1
161.02444	0.8
161.06067	18.9
166.99841	1.8
173.00894	0.6
176.04768	0.4
179.03511	0.7
181.05260	0.3
182.02188	3.0
189.02007	1.2
189.05574	21.7
190.05930	0.4
191.03477	0.4
196.03831	2.1
197.04562	13.8
207.02937	0.5
217.01460	0.4
222.05324	2.2
223.05757	0.3
233.04561	3.3
237.07687	3.5
244.22884	0.3
250.04779	0.8
251.05664	1.4
259.02667	0.5
265.07159	11.4
266.07599	0.4
269.04572	1.8
277.03693	0.5
309.06018	0.5
369.10190	0.4
417.08377	0.5
431.09863	0.5
437.44116	0.4
476.25482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24072	0.4
55.01878	5.2
57.03458	22.8
58.21735	0.4
59.01384	4.9
71.01381	3.5
72.99302	0.9
73.02942	1.0
75.00868	0.8
83.01389	7.0
83.81512	0.4
84.02159	1.8
85.02945	100.0
85.09480	0.6
85.98902	0.5
86.03289	3.0
87.00866	0.8
96.25212	0.5
101.02464	0.9
103.00360	0.6
106.00531	0.8
111.00877	13.1
120.75549	0.6
121.02946	9.8
123.00872	0.8
123.04494	0.7
127.03952	0.6
129.01936	24.7
131.41281	0.5
133.06909	6.6
134.07220	1.2
137.02464	0.6
138.03265	1.0
139.00401	2.5
139.03979	0.6
147.02971	6.5
148.67088	0.5
149.02483	1.0
149.06094	0.6
151.04010	9.8
153.05566	7.5
165.05559	3.4
166.06406	3.6
166.99928	0.5
172.46048	0.5
173.00894	9.5
182.02261	2.5
191.01996	3.9
193.88928	0.6
197.04567	13.3
207.06584	0.9
209.03024	0.8
225.07698	16.9
262.11227	1.0
265.07205	4.0
293.10419	2.4
310.56183	0.5
311.88272	0.6
327.07224	6.0
355.10461	2.1
371.06299	3.1
399.09247	2.6
417.10388	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	597.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.5
55.92382	0.5
57.03464	4.5
58.00593	0.9
59.01385	40.9
71.01379	17.0
72.99293	1.4
73.02929	2.2
78.95890	0.7
79.05510	0.6
81.76730	0.5
83.01391	4.3
83.05022	1.0
85.02955	10.6
87.00880	5.2
89.02445	13.6
92.11723	1.6
95.01362	1.1
97.06564	0.6
99.00896	0.8
99.04513	2.1
101.02423	9.8
109.06556	1.0
111.00882	4.2
113.02454	7.3
119.03458	4.9
119.08678	1.9
121.02957	18.7
121.06597	1.1
122.03260	1.2
123.00854	2.3
131.05014	1.4
133.06642	4.3
135.08202	4.7
135.11813	1.3
137.09723	16.3
137.24850	0.6
138.03221	1.1
149.09622	0.6
153.05612	4.2
153.09163	1.2
161.06087	5.4
161.09717	6.5
163.07648	13.3
166.99921	0.7
167.10800	0.9
177.12833	1.0
179.10776	8.3
181.08688	7.3
182.02240	3.4
189.05571	4.6
193.12311	7.3
195.10323	0.9
197.04544	9.1
197.11800	4.1
211.13391	1.1
221.11876	2.3
223.09692	3.2
241.10794	1.2
265.07040	1.4
286.66327	0.6
326.47491	0.6
373.18661	6.0
455.22394	0.6
461.95212	0.6
485.73975	1.0
519.25226	0.7
535.29083	3.0
537.27002	2.7
557.01740	0.6
597.29254	100.0
598.29669	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	597.3056
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
54.83384	0.5
73.69672	0.4
78.95910	70.9
85.40189	0.6
88.89047	0.5
94.83913	0.5
96.77663	0.5
96.96964	18.0
147.56532	0.5
152.99597	66.2
164.35738	0.5
169.27640	0.6
180.70642	0.5
205.73833	0.6
213.92961	0.6
223.00130	2.1
241.01202	33.3
259.02155	0.6
281.24872	99.4
282.25192	2.4
315.04871	9.5
396.58426	0.6
403.17880	0.5
417.24185	4.9
597.30566	100.0
598.30536	3.9
616.65692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	0.4
59.01373	1.3
59.79160	0.3
61.56920	0.3
71.01384	0.4
81.03452	15.1
83.05024	54.5
85.02923	0.4
88.99775	0.3
92.95384	0.3
100.07673	9.1
108.04604	0.4
126.05579	1.7
127.04022	0.4
182.15488	0.5
199.18175	11.4
207.15071	0.7
224.17700	0.7
225.16106	11.9
243.17149	24.5
269.15076	1.9
286.04782	0.3
309.21777	1.3
331.96371	0.4
341.29575	0.4
353.20859	9.9
425.35135	0.4
433.32144	0.5
451.32950	3.8
469.34027	20.1
469.40793	0.7
579.37769	4.5
597.38800	100.0
598.38867	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	599.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.2
59.01379	0.1
62.34424	0.1
72.31519	0.1
78.95880	0.6
79.95731	1.6
84.10345	0.1
85.02945	1.5
86.03290	0.2
89.42371	0.1
92.12390	0.2
95.43008	0.1
96.95999	100.0
97.95963	0.1
114.93412	0.3
121.02946	0.2
129.01915	0.2
133.73625	0.1
147.02908	0.2
165.25087	0.1
209.06296	0.1
253.05080	9.1
254.05391	0.2
268.74188	0.1
269.04599	0.8
294.11972	0.1
327.78922	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	599.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.7
57.03450	16.1
59.01145	0.5
59.01385	7.7
68.99819	0.4
71.01376	3.9
72.99293	1.8
75.00861	2.3
83.01400	3.0
84.02139	2.1
85.02943	100.0
86.03291	0.4
87.00874	1.6
89.02450	0.8
99.35655	0.4
101.02428	1.9
103.00374	0.8
110.02451	0.5
111.00887	4.3
115.00352	0.4
119.05015	3.2
129.01956	6.1
133.01450	0.5
145.02963	0.4
145.40273	0.4
147.02994	10.9
163.02701	0.5
163.04016	3.6
173.00868	1.6
191.01970	30.8
209.03029	14.0
243.06358	0.5
337.05722	0.8
355.06741	18.2
355.11166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81430	0.5
54.03005	0.5
58.02972	0.7
59.01392	36.7
59.01693	1.3
68.40916	0.6
71.01393	1.5
72.00914	1.5
74.02484	2.9
79.95756	1.0
85.02964	2.2
88.04051	5.2
89.96991	0.6
96.96006	95.0
98.02451	0.7
109.04073	0.8
115.00358	2.8
116.03556	1.1
121.02956	0.9
127.05119	5.5
128.03539	28.2
131.03798	0.8
132.03017	3.4
132.04556	2.5
137.02443	0.7
144.04564	4.2
146.06143	3.8
147.04495	6.4
147.08154	0.9
148.04720	0.6
157.07774	0.7
164.07170	13.0
172.04085	0.8
189.06664	5.7
190.05193	1.0
213.10582	0.7
225.11334	32.9
244.52078	0.6
257.09402	2.4
261.08786	5.2
275.10385	4.0
287.48987	0.7
293.11475	12.6
305.07074	100.0
306.07495	1.3
361.54034	0.7
512.50018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43105	0.4
59.01387	35.6
61.86243	0.4
62.30556	0.4
70.03003	0.7
71.01363	2.5
72.00898	2.1
72.04507	0.5
74.02076	0.5
74.02475	9.9
78.14357	0.5
79.95726	1.1
84.04523	1.0
85.02948	2.7
88.04032	7.7
91.05533	0.5
92.12376	0.9
96.96004	80.6
98.02458	2.7
109.04049	0.5
115.00404	3.4
116.03529	5.5
118.06605	0.6
127.05135	6.4
128.03539	24.6
128.04974	0.8
131.03708	0.6
132.02994	3.2
132.04532	4.1
144.04526	4.9
144.33586	0.5
146.06123	5.4
147.04527	4.4
147.08168	0.8
157.07726	0.6
164.07188	13.7
171.05664	0.9
172.04013	2.4
189.06726	5.7
190.05090	1.1
201.06754	1.9
219.07800	0.5
225.11348	29.0
257.09341	3.0
258.71045	0.6
261.08807	11.0
275.10461	4.5
293.11481	15.3
305.07111	100.0
306.07584	2.5
341.19366	0.5
347.88971	0.5
423.77643	0.5
450.67993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42781	0.4
57.03450	0.9
58.02983	0.5
58.69363	0.6
59.01387	25.4
67.66776	0.5
70.02974	3.3
70.04871	0.4
71.01390	6.1
72.00911	2.1
72.04544	1.2
74.02473	37.1
78.06212	0.5
79.95753	1.1
84.04531	1.0
85.02959	3.7
88.04041	21.3
91.05497	0.5
96.96005	54.2
98.02467	9.7
103.05458	0.5
104.45818	0.5
109.04088	2.1
111.66293	0.5
112.59872	0.6
115.00371	12.3
116.03537	20.3
116.05012	1.1
118.10455	0.4
127.05157	6.4
128.03537	26.4
128.04985	1.1
129.01900	0.6
130.63356	0.5
132.02116	1.0
132.03046	13.0
132.04541	17.7
144.04556	18.2
146.06126	20.6
147.04520	5.4
147.08151	0.8
148.40355	0.5
162.05640	3.1
164.07169	13.9
171.05659	2.2
172.04018	7.5
175.08731	0.7
189.06718	21.9
190.05173	4.6
191.02077	0.6
199.08778	0.6
201.06702	5.7
219.07762	2.2
225.11368	19.7
242.00018	0.6
243.07780	0.5
257.09366	3.0
258.85846	0.5
261.08826	38.2
262.09213	0.8
275.10452	6.1
293.11478	13.7
305.07419	100.0
306.07751	2.6
313.17139	0.6
342.92386	0.6
461.49649	0.6
511.41559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.5
57.03453	6.5
58.00595	8.9
59.01387	58.5
64.04422	1.2
65.23592	1.3
71.01385	15.6
72.99310	2.3
73.02944	9.0
74.35197	1.4
83.01390	5.9
85.02950	18.3
85.64587	1.5
87.00857	3.7
87.04503	3.2
88.98756	1.5
89.02438	6.9
96.57793	1.6
96.95992	13.0
97.02959	1.7
99.04525	1.9
101.02406	14.7
111.00869	2.2
112.56337	1.4
113.02425	7.5
113.06093	6.2
119.03483	1.7
119.08676	1.5
121.02924	2.4
122.03676	2.1
123.04516	2.2
123.08139	6.6
130.81476	1.7
134.03734	3.4
137.02463	1.9
137.09731	3.6
143.03502	1.9
150.03220	45.4
161.04587	2.8
161.09723	2.5
162.03316	1.6
163.07610	6.8
165.05540	34.7
167.03535	3.8
180.04248	2.7
181.08690	2.7
193.05122	3.0
195.06635	18.1
213.63693	1.5
233.11766	2.7
241.15941	1.6
243.17458	2.5
259.16946	19.8
261.18539	2.8
269.04535	25.1
270.05008	2.2
279.19656	2.3
289.18060	3.6
303.16055	2.4
327.17685	1.5
351.18158	100.0
351.21716	3.8
352.18594	2.4
495.22284	3.4
520.14398	1.7
551.21313	3.4
555.24573	58.6
556.25244	1.9
581.22949	10.6
599.14771	2.8
599.23541	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00127	0.8
57.03450	1.3
59.01388	55.0
69.84863	1.0
71.01382	19.3
73.02943	29.8
76.85966	1.0
80.91663	4.4
83.01376	7.4
85.02939	6.4
87.00862	1.0
87.35929	0.9
88.37036	0.9
89.02431	9.5
95.01380	1.0
95.05011	1.2
100.19540	1.0
101.02441	22.9
111.00885	1.5
113.02444	5.1
119.03496	4.0
123.08133	4.0
160.41914	0.9
161.04440	1.1
185.11935	1.1
241.16003	1.7
243.17409	1.1
259.17068	8.2
261.18680	1.8
269.04529	8.3
271.17017	7.8
277.17905	1.0
289.18167	5.3
333.17114	59.0
484.14014	1.1
536.25806	1.0
551.14215	1.0
555.24542	100.0
573.91418	1.0
599.22845	1.6
600.73358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11417	0.3
55.01889	1.7
57.03444	0.5
58.00597	0.7
59.01387	71.8
59.90442	0.4
60.01718	0.6
61.98843	0.6
69.03454	1.5
71.01382	27.6
72.01690	0.3
72.99310	0.8
73.02945	40.5
75.00887	0.5
81.03479	0.5
82.95442	0.7
83.01384	8.8
83.66341	0.3
85.02955	6.9
87.00852	0.6
87.42572	0.3
89.02443	9.5
95.01393	0.6
97.02917	0.5
99.00882	1.3
101.02437	29.2
108.02182	0.7
111.00861	0.5
113.02450	8.0
119.03481	3.7
123.04502	0.6
123.08162	0.3
125.02441	1.2
131.03525	1.8
143.03473	0.6
149.04588	0.5
152.01175	2.4
158.54361	0.3
159.03320	0.3
161.04565	1.7
167.03537	2.1
179.05669	0.4
241.16077	0.6
243.13864	1.4
243.17575	0.4
259.17047	3.8
261.18665	0.5
269.04575	1.5
271.17038	2.8
289.18152	4.7
303.15823	0.5
305.17389	0.4
307.19183	1.5
333.17126	10.4
513.23480	0.6
525.23993	0.4
555.24524	100.0
556.25043	4.6
558.15527	0.4
599.23792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3211
Annotation	CHEMBL3780056
Peak:m/z	Relative Intensity
64.43301	0.4
70.69164	0.3
78.95905	67.6
92.11822	0.5
96.96957	14.6
152.99583	56.8
223.00145	2.3
241.01205	29.8
283.26440	85.8
284.26678	1.7
297.24258	2.3
315.04996	6.3
364.70764	0.4
370.65497	0.5
389.48920	0.4
419.25650	4.2
430.92856	0.5
599.32123	100.0
600.32678	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	601.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42457	0.5
57.03438	3.6
58.22085	0.5
61.98843	0.6
66.77398	0.5
78.08324	0.6
78.95061	0.6
92.12440	2.8
95.05016	0.7
97.06588	12.6
123.08177	5.5
125.09721	100.0
126.10055	0.9
131.40363	0.6
131.85907	0.6
143.10780	0.8
169.08701	3.5
187.09764	70.1
188.10103	1.1
261.13443	11.0
342.84265	0.6
386.69373	0.7
408.13733	0.7
431.22760	10.7
601.32416	51.1
602.32806	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	601.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22005	1.0
61.88868	0.9
69.86733	1.0
78.95898	13.7
110.98528	11.2
118.17992	1.2
167.01138	4.5
171.10265	94.6
261.22028	1.5
277.21844	1.2
279.23297	100.0
339.12064	1.7
447.25211	1.9
598.42139	1.3
601.35303	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	603.1
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15812	0.2
55.01874	0.3
56.90013	0.2
57.03440	0.5
59.01388	17.1
60.01712	0.2
60.46111	0.2
60.99307	0.2
63.02393	1.3
65.00325	1.0
71.01381	3.6
73.02935	1.4
75.00846	0.5
76.57253	0.2
81.67837	0.2
82.95431	0.3
83.01378	1.0
84.95122	0.2
85.02950	3.8
87.00864	0.9
88.98782	0.5
89.02442	2.7
91.01872	0.4
95.01356	0.8
96.95997	0.5
99.00880	2.1
101.02447	3.0
107.01382	1.5
108.10921	0.2
113.02454	3.3
113.04759	0.2
119.03458	0.3
123.04500	0.3
125.02428	0.3
131.03479	0.5
132.02127	0.5
133.02953	3.6
135.04500	0.9
135.93687	0.2
141.03351	0.2
143.03493	0.3
146.07872	0.3
149.04544	0.5
152.01334	0.2
157.02924	0.4
159.04457	1.8
160.01376	0.2
161.04623	0.4
169.06555	1.0
180.05820	1.0
181.06570	1.6
183.04506	1.1
196.05260	0.4
197.06099	1.1
199.04082	0.4
201.05623	1.2
208.86154	0.2
209.06038	0.3
213.05695	0.3
223.04063	0.4
224.04782	0.9
225.05583	1.5
227.03458	0.3
240.04387	0.3
241.05147	0.4
253.05098	1.3
268.03857	1.6
269.04584	100.0
270.04984	2.2
271.06055	0.3
283.06110	0.3
291.06693	1.0
311.05661	1.0
335.05814	1.1
348.59152	0.2
455.09872	0.4
499.29590	0.4
552.26703	0.8
561.84918	0.2
573.78027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70543	0.7
56.49052	0.8
57.03453	4.8
59.01388	87.7
67.01911	0.8
68.99824	0.8
69.03448	1.2
71.01386	36.3
71.66570	0.7
72.99317	6.4
73.02943	3.9
75.00874	22.5
83.01403	1.6
84.95130	6.4
85.02958	39.9
87.00879	14.2
89.02460	13.5
95.01392	10.0
96.96004	10.9
98.42649	0.7
99.00877	17.5
101.02402	3.2
103.00360	5.1
111.00890	1.9
113.02451	55.8
115.00385	2.0
117.01933	4.7
129.01958	4.0
131.03499	1.4
147.29012	0.8
150.06828	1.1
161.13326	9.6
173.68222	0.9
175.02475	3.6
187.11304	3.3
205.12347	20.6
249.06166	25.3
250.80467	0.8
267.07236	100.0
290.83191	0.9
455.19266	51.1
487.90875	1.0
499.18311	21.7
517.18933	6.1
559.20343	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82309	0.1
56.76971	0.1
59.01384	0.5
59.66693	0.1
63.58504	0.1
68.08666	0.1
71.01383	18.1
77.03959	0.1
80.24915	0.1
82.42542	0.1
82.95418	0.9
84.95118	2.5
85.02966	0.1
89.02441	0.2
96.96017	0.1
99.04538	0.1
101.02428	0.2
115.00370	8.9
121.02952	100.0
122.03273	1.1
125.02446	0.7
145.08604	0.1
187.00800	0.1
187.02472	0.2
191.68343	0.1
203.12917	0.2
237.04063	12.1
283.63190	0.1
307.14032	0.4
365.18134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96452	0.7
55.01885	1.4
56.70889	0.6
57.03460	1.7
58.00593	1.2
59.01389	79.4
63.48269	0.8
64.96338	0.6
67.97173	0.8
69.03452	1.2
71.01387	40.7
73.02950	32.3
81.28568	0.7
83.01377	3.5
85.02941	12.0
87.00880	1.6
89.02443	35.9
94.98808	0.9
95.01397	3.1
95.83336	0.8
97.02936	3.6
97.54086	0.8
99.00874	78.5
101.02443	17.2
113.02441	23.8
119.03502	3.5
125.02438	3.5
125.06109	0.9
131.03482	10.1
133.86612	0.8
136.05295	1.3
138.06883	6.8
139.07674	1.2
143.03467	1.3
149.04550	14.9
151.07625	4.0
152.08437	12.3
153.09212	31.0
155.03494	2.6
161.04529	7.2
161.09711	1.8
163.11319	1.3
165.09169	0.9
170.16136	0.9
187.11288	1.5
190.09988	1.8
191.05638	17.0
203.05562	5.7
205.12366	30.1
205.14189	1.5
220.52890	0.8
223.13422	4.6
233.06653	2.8
271.86108	0.8
350.18961	0.8
367.17737	10.5
385.18726	4.4
427.19724	11.5
499.21860	5.9
517.22852	23.1
518.23694	1.0
545.16638	0.8
559.24023	100.0
560.24426	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	603.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98651	0.8
57.03464	3.6
58.00624	1.0
59.01391	78.0
59.71143	0.9
60.98943	0.8
69.03465	1.6
70.86002	1.0
71.01389	44.5
72.99299	1.5
73.02951	34.2
75.00876	4.5
82.95420	16.9
82.99916	1.0
83.01382	4.9
84.95113	5.0
85.02955	23.6
87.00848	2.1
88.98810	8.3
89.02443	41.2
92.11666	1.0
95.01369	2.5
97.02943	1.2
99.00877	100.0
99.04507	1.5
101.02435	16.5
113.02452	28.8
119.03447	2.6
119.04977	2.2
125.02446	2.5
131.03499	12.2
143.03459	4.5
145.02905	1.6
147.60757	0.9
149.02438	5.4
149.04556	28.8
155.03476	2.0
157.07913	1.0
158.53122	1.1
161.04558	6.2
161.09720	1.9
163.03978	1.7
164.04750	2.3
187.11252	5.9
190.09865	1.7
190.54765	1.0
191.05624	26.6
203.05608	12.3
204.11597	1.2
205.12360	9.5
223.06105	4.4
233.06630	11.9
233.11757	1.3
267.07202	11.1
267.52304	1.1
269.04556	2.0
293.08752	1.3
335.09946	1.7
361.22034	1.2
455.19183	2.2
499.18674	1.4
517.23022	4.7
525.75385	1.3
559.24133	60.9
560.24762	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	3.1
59.01386	58.3
60.24750	1.5
61.98813	1.7
65.84139	1.4
66.86252	1.3
70.71013	1.6
71.01385	44.3
73.02938	1.6
78.95925	5.8
83.01388	3.4
85.02927	7.0
87.00858	7.1
89.02443	44.8
95.01360	1.7
101.02438	18.3
102.76471	1.9
113.02438	19.8
115.32846	1.8
116.92832	2.3
119.03479	13.7
119.59887	1.5
128.03555	1.9
128.28896	1.7
143.03499	2.7
149.04579	1.7
150.66779	1.7
152.99686	5.1
161.04543	8.2
164.59509	1.6
179.05643	13.0
279.23318	100.0
280.23596	3.2
293.24973	2.8
321.24255	2.1
323.09836	10.7
341.10916	34.4
412.97903	2.2
504.35529	1.9
553.50287	2.2
603.33435	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	603.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25424	1.5
52.20985	1.4
54.83076	1.7
55.01883	2.3
55.32261	1.4
58.00594	1.9
59.01102	2.6
59.01386	42.9
63.90574	1.6
67.98031	1.5
70.11423	1.8
71.01379	41.3
73.02946	11.5
78.95915	4.2
83.01392	9.1
85.02940	14.7
87.00878	44.5
89.02431	33.3
90.95152	1.5
95.01389	4.0
101.02436	24.8
113.02452	26.8
114.95818	1.9
116.92873	2.5
119.03500	10.0
128.03558	2.7
129.01971	2.2
143.03517	2.1
151.01387	1.7
152.99628	2.2
161.04578	9.2
169.23747	1.6
179.05634	9.7
275.23712	2.1
279.23318	100.0
280.23676	2.9
293.24881	35.5
321.24417	11.3
323.09875	15.1
341.10898	43.1
400.42853	2.2
479.28281	2.0
571.49487	2.1
585.15424	2.0
603.33209	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	603.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	77.7
59.71931	1.9
61.98834	3.1
67.56762	1.9
71.01384	62.5
72.99271	2.2
73.02943	2.8
78.95903	5.6
79.15146	2.3
81.93720	2.1
83.01381	15.2
85.02953	11.6
85.34288	2.4
87.00864	12.7
89.02439	72.6
95.01354	2.6
101.02435	27.4
113.02450	29.5
116.92889	3.8
119.03507	22.3
128.03508	2.3
131.03481	2.6
143.03520	3.5
161.04552	3.6
179.05649	15.9
189.72522	2.4
197.18918	2.4
279.20404	4.1
279.23303	88.2
323.09952	10.7
341.10883	100.0
439.40952	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	604.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25856	0.3
54.54511	0.3
54.59110	0.4
55.01880	1.0
55.14528	0.3
56.50809	0.3
57.03452	3.0
59.01390	0.9
68.05051	0.6
69.03468	3.3
70.02980	3.8
71.01374	2.4
72.00905	1.0
73.02958	0.4
82.02991	0.5
82.82382	0.4
83.01358	0.5
83.50922	0.4
84.04551	0.6
85.02956	49.7
86.02480	1.0
86.03293	0.5
86.06113	0.8
87.04515	7.0
90.48534	0.4
94.03017	1.0
96.04554	100.0
97.02948	8.8
98.02477	2.6
99.00881	4.2
99.04536	0.5
101.02444	0.5
108.04562	0.6
109.02934	0.4
110.02518	0.5
111.04546	0.9
112.04041	4.6
114.01971	0.8
114.05592	0.8
115.04017	4.4
116.03561	0.5
122.02444	0.7
126.05643	0.9
128.03546	5.9
129.01935	12.2
131.03609	0.4
138.05627	0.5
139.04005	0.8
140.03548	4.2
141.01947	3.4
142.01459	15.8
144.03033	1.7
156.06757	0.5
158.04585	25.0
159.02922	3.7
172.02525	3.2
188.05493	0.6
200.05711	2.5
201.04115	0.5
202.03604	11.6
207.00159	0.4
218.06737	2.6
219.05151	2.2
221.70647	0.4
262.05701	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06757	0.2
57.03194	0.4
57.03456	9.9
59.01107	0.5
59.01387	9.5
71.01385	4.3
73.02946	4.1
74.62128	0.3
76.84128	0.2
79.35486	0.3
80.69698	0.3
81.03445	4.7
83.01385	5.6
85.02952	3.1
89.02430	3.2
95.01380	0.3
95.05019	0.3
96.96001	4.7
97.02920	0.6
99.00876	5.9
99.04527	0.4
101.02443	2.7
103.00381	0.4
105.03446	0.5
107.01394	0.3
108.02178	1.1
113.02451	3.3
119.03517	0.4
123.04513	31.1
123.08266	0.4
125.02435	100.0
126.02780	0.5
131.03510	0.4
137.02443	0.4
139.03995	0.6
143.03505	0.4
147.04491	0.3
149.02443	6.8
149.04541	1.8
150.86571	0.3
151.00377	1.5
152.01137	1.0
161.04506	0.6
163.03992	0.5
166.02713	0.4
167.03491	87.2
168.03807	0.5
171.14294	0.3
179.03548	1.2
179.05522	0.3
189.12816	0.3
191.03548	1.3
191.05586	1.8
203.05629	1.2
209.04553	1.6
209.72829	0.3
221.04515	0.4
253.05080	5.7
257.06680	0.4
289.62701	0.3
297.76398	0.3
299.07764	2.6
341.08621	0.5
401.10745	0.4
412.30081	0.3
419.11942	3.1
447.39682	0.3
461.13083	29.6
462.13232	1.1
501.16278	0.4
501.23270	0.4
503.14142	16.0
511.68790	0.3
519.24243	0.6
525.20190	0.3
543.17090	2.3
561.25806	2.7
605.17267	20.5
606.17712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33595	0.3
53.55109	0.2
57.57702	0.3
59.01394	5.7
69.75565	0.3
71.01392	2.6
73.02954	3.3
75.05389	0.3
83.01370	0.7
83.74371	0.3
85.02950	0.7
85.50335	0.3
92.11709	0.4
93.03445	1.2
101.02432	2.4
108.02152	0.5
109.02971	0.5
113.02457	1.6
121.02948	6.4
122.03735	3.9
124.01664	0.4
134.03711	0.6
135.04486	0.5
136.01654	79.6
137.02458	3.3
145.02930	0.4
149.06084	0.4
151.04008	100.0
152.04359	0.4
159.04454	0.6
160.05305	1.5
161.02414	0.3
161.04565	0.6
162.03218	1.4
163.04008	1.4
175.03992	0.5
175.07608	1.1
176.04913	0.3
177.05591	1.6
179.03474	0.5
187.03972	0.4
189.05547	0.3
219.08069	0.4
226.43242	0.3
235.07635	1.7
247.07738	0.4
253.08748	0.6
263.07114	2.9
269.04456	1.2
281.08209	5.4
291.06735	1.1
293.08170	2.3
296.10480	0.5
308.10565	0.5
309.07706	16.3
323.09241	1.4
324.10043	7.1
339.12469	12.0
340.12402	0.3
342.11212	4.6
357.13477	71.1
358.13873	1.7
441.52377	0.3
538.24335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25439	0.3
55.01902	2.8
57.03244	0.4
57.03469	5.3
58.00605	0.6
59.01394	66.0
64.91277	0.3
69.03443	0.5
71.01388	19.9
72.99290	0.9
73.02593	0.5
73.02952	8.7
75.00861	0.4
77.54717	0.4
81.48422	0.3
83.01398	6.0
85.02467	0.7
85.02953	16.7
85.06568	0.6
86.00066	0.9
87.00877	1.4
89.02407	1.9
95.01389	2.9
96.95980	1.7
97.02940	0.6
99.00867	3.8
99.04510	0.4
101.02433	16.4
105.88000	0.3
111.00867	2.4
113.02451	10.0
125.02381	1.7
127.05164	0.5
129.01898	0.9
143.10753	1.7
159.02988	0.7
161.04558	2.6
229.18159	3.3
313.27554	2.7
406.44113	0.4
457.31534	0.7
475.32773	3.9
501.30728	1.8
519.31805	2.9
561.32831	100.0
562.33502	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	606.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89914	0.3
78.95900	11.3
122.00098	0.7
125.09731	0.4
127.11285	2.4
140.01207	5.3
153.09221	0.8
171.10272	100.0
172.10623	2.0
196.03821	2.6
211.05190	0.4
214.17285	0.5
255.23325	41.1
256.23618	0.9
350.14093	0.4
452.27975	4.1
523.56647	0.4
606.37933	17.3
607.37909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37920	1.0
56.89243	0.9
59.01110	1.2
59.01390	21.2
61.98832	1.6
67.91185	0.9
78.95905	23.1
79.83693	0.9
85.02950	1.8
95.49850	1.1
116.92902	1.1
152.99603	4.3
163.63031	1.0
168.04311	4.5
224.06921	8.8
275.65692	1.2
307.26474	100.0
308.26810	2.4
370.57620	1.3
399.16010	1.2
532.34106	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78534	0.2
54.82783	0.3
55.01876	0.7
57.03463	3.1
59.01385	2.9
60.99313	19.2
60.99627	0.6
62.05191	0.3
64.14207	0.2
68.17191	0.3
71.01388	0.4
73.02946	0.3
78.32568	0.3
81.03448	1.8
83.01372	3.0
84.02174	0.3
85.02948	14.9
88.98802	100.0
91.01890	0.5
99.04517	2.3
111.00870	6.2
121.02937	5.3
123.00903	0.7
123.04519	0.4
127.03990	2.6
129.01967	3.6
133.02985	0.4
134.03729	6.2
137.02455	0.6
138.03256	1.2
139.00406	0.7
146.51349	0.3
149.29655	0.3
153.01932	0.4
153.05548	3.0
160.01643	0.5
166.99850	0.6
171.03012	0.5
175.04018	0.4
178.02718	0.4
182.02213	2.1
189.04066	0.4
193.05066	5.4
197.04585	8.3
197.06288	0.5
207.02971	0.3
215.01982	0.4
222.05457	0.4
233.03012	1.3
245.95000	0.3
265.07224	2.0
268.03741	1.7
269.04568	29.9
270.05008	1.0
305.71188	0.3
311.05692	1.9
327.07312	0.6
481.29254	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93979	0.3
52.83650	0.4
55.01890	0.9
57.03468	3.1
59.01393	2.5
60.99319	17.8
71.01394	0.9
78.67647	0.4
81.03456	2.6
83.01378	3.5
85.02463	0.8
85.02952	15.9
88.98804	100.0
99.04520	2.4
107.64949	0.4
111.00879	6.6
121.02946	6.6
127.04025	3.8
129.01913	3.9
133.02972	0.5
134.03732	8.4
137.02531	0.6
138.03223	2.0
139.00386	0.6
147.30179	0.4
149.06107	0.6
153.05608	5.4
163.67393	0.5
166.99908	0.9
173.00893	0.4
175.03903	1.2
178.02634	1.2
181.06775	0.4
182.02193	1.9
193.05075	5.5
194.81827	0.5
197.04570	9.3
202.66858	0.5
222.05334	0.6
237.07710	0.6
257.26624	0.4
265.07214	0.8
268.03922	1.6
269.04562	26.0
311.05780	1.7
444.66898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82607	0.6
55.01895	6.2
57.03457	19.2
59.01386	12.7
66.23652	0.6
66.83929	0.6
67.01900	0.9
68.99819	0.6
69.03448	0.9
71.01383	3.7
71.05032	1.6
72.99334	0.9
73.02953	1.6
81.03469	9.5
83.01398	13.9
84.02171	3.1
85.02959	100.0
89.02434	0.6
95.01411	0.9
97.02966	1.3
98.03869	0.7
99.00901	1.0
99.04516	10.8
101.06097	0.7
101.15750	0.7
106.00560	0.9
109.02960	1.1
111.00868	22.2
111.01564	1.1
117.03460	4.8
119.65688	0.8
121.02943	26.6
123.00900	6.6
125.02454	1.2
127.00359	1.1
127.04011	20.2
129.01938	18.5
134.03731	54.9
137.02440	4.1
138.03200	9.3
139.00371	11.3
139.04025	1.3
147.02988	4.1
149.06111	6.3
153.02000	1.0
153.05565	17.4
153.99101	0.7
154.99817	0.7
160.01633	6.7
161.02293	0.7
166.02718	1.2
166.99902	3.0
167.03511	1.1
171.02991	6.2
173.00830	0.9
175.03999	8.3
178.02737	7.1
179.03476	1.6
181.01309	0.9
181.04962	0.9
182.02203	6.8
189.01857	0.8
189.04131	0.9
193.05060	48.9
196.03748	3.0
197.04561	34.6
204.04379	1.2
207.02971	1.2
215.01981	4.4
217.01389	0.8
222.05380	4.7
223.06096	1.4
233.03032	1.5
237.07677	4.6
250.04903	1.1
261.07693	2.6
265.07184	20.3
309.06305	2.5
327.07187	4.0
329.96014	0.9
342.24036	0.8
367.06891	1.1
369.07999	1.7
371.06186	1.1
437.81012	0.8
562.26093	3.5
563.26062	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	607.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29340	0.6
51.87336	0.7
52.48861	0.7
55.01886	11.4
57.03453	22.9
59.01387	15.3
64.33204	0.7
67.01884	1.6
68.99803	0.9
71.01372	3.6
71.05017	4.9
72.99301	1.5
81.03456	25.9
83.01388	34.5
84.02155	4.5
85.02950	98.7
89.00323	5.3
91.01884	7.2
97.02940	1.3
99.04521	26.6
106.00613	5.8
108.02164	4.7
109.02945	1.9
111.00874	53.3
112.40497	0.8
117.03493	5.7
121.02950	82.1
123.00865	14.2
123.04510	13.5
124.01658	1.4
127.00349	3.2
127.04014	31.6
128.27194	0.7
129.00999	1.3
129.01933	36.2
134.03735	62.4
136.06946	0.8
137.02451	3.1
138.03218	13.5
139.00378	7.3
139.04053	1.8
147.02986	1.4
149.02457	7.3
149.06104	6.5
152.01147	9.1
153.05583	48.1
154.99855	1.1
160.01648	5.1
163.04041	1.0
164.04822	4.5
166.23318	0.9
166.99870	13.6
167.03513	22.7
171.02995	16.2
173.00964	1.3
175.03970	7.6
178.02718	10.1
181.01488	1.0
182.02219	30.9
189.04033	3.6
190.02711	1.1
191.03526	1.2
192.04346	1.3
193.01338	1.0
193.05067	49.9
197.04562	100.0
205.05049	1.0
207.03011	1.2
215.02023	7.4
222.05324	4.0
223.06201	6.9
233.02922	3.6
235.06198	4.3
237.07744	4.3
251.81407	0.8
261.07611	3.4
265.07202	14.7
297.06317	1.0
304.66550	0.8
309.06003	1.3
327.07303	1.7
335.28210	0.9
353.05069	3.5
366.53763	0.7
369.08337	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94896	0.6
55.01908	5.1
57.03462	19.2
59.01387	10.0
59.10363	0.6
64.34492	0.7
67.01891	1.7
68.99812	0.8
71.01376	4.8
71.05010	1.6
74.08453	0.6
75.96537	0.6
81.03459	10.4
83.01397	14.0
84.02164	4.5
85.02957	100.0
87.00863	0.7
89.00323	0.8
89.04002	2.4
89.89159	0.6
90.97857	0.7
92.11758	1.3
97.02919	0.6
99.04520	16.2
101.02442	0.7
101.72700	0.8
111.00883	23.6
117.03461	7.3
121.02948	18.4
123.00880	5.5
125.02486	0.8
127.00359	1.5
127.04004	33.4
129.01944	23.0
134.03737	88.2
136.98804	1.1
137.02441	5.3
138.03242	6.0
139.00372	7.4
139.04002	2.9
147.03009	3.9
149.02448	1.7
149.06100	8.4
153.02010	0.7
153.05598	13.2
154.99860	1.7
160.01662	1.6
164.04831	1.5
166.99886	2.9
167.03481	1.0
171.03014	8.1
173.00899	0.7
175.04031	3.7
177.58418	0.7
178.02699	11.3
179.03452	2.5
181.01662	0.8
182.02225	4.7
189.02200	0.7
189.03868	1.9
191.03490	1.0
193.05064	82.9
196.03804	1.4
197.02740	0.9
197.04570	26.9
202.08093	0.7
215.01964	3.0
217.28590	0.7
222.05368	3.7
223.06197	0.8
233.02995	1.4
237.07593	5.2
261.07678	2.5
265.07162	15.3
280.27698	0.7
291.05411	0.7
309.06329	1.6
327.07227	4.3
353.33179	0.7
369.08435	1.6
371.06097	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24518	0.6
55.01892	6.8
57.03469	21.0
59.01396	25.9
60.99331	1.1
62.93623	0.7
67.01892	1.3
71.01390	6.4
72.99305	0.9
73.02952	3.3
81.03452	4.6
83.01395	28.1
85.02956	100.0
87.00886	1.2
88.98805	6.9
89.00341	1.8
89.02444	3.1
92.65275	0.8
99.00881	1.8
99.04525	5.1
101.02445	1.9
106.00587	1.0
111.00882	61.7
113.02470	0.9
117.03455	1.3
121.02956	26.9
123.00887	4.3
123.04510	0.8
127.00383	1.7
127.03980	8.1
129.01942	31.6
134.03738	36.5
136.01657	1.3
137.02429	5.3
138.03238	5.5
139.00381	9.2
139.04016	1.6
147.03008	3.9
149.06096	3.1
151.04019	1.9
152.01183	1.8
153.05573	18.0
154.99887	4.9
160.01685	1.7
166.99815	3.2
167.03511	1.9
171.03004	3.6
173.00941	4.6
175.04037	3.6
178.02737	7.7
179.03496	1.1
182.02173	7.3
189.01909	1.2
189.04025	1.3
191.02034	1.4
193.05055	19.0
193.06633	1.1
196.03926	1.3
197.04570	33.6
207.02950	1.8
209.08330	1.0
219.06647	1.1
222.05391	4.8
233.03056	9.0
237.07684	7.6
251.04065	1.3
261.07748	1.4
265.07236	13.5
269.04565	4.2
291.05225	1.2
309.06183	3.5
327.07297	3.9
353.05069	1.1
358.13574	1.2
359.13916	0.9
371.06348	3.5
431.08212	4.5
471.66595	0.9
563.26837	1.0
607.26361	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	607.131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82885	0.7
55.01884	9.4
57.03195	1.1
57.03456	26.8
57.73679	0.7
59.01377	13.7
60.99306	1.2
67.01881	1.3
71.01378	5.2
71.05014	1.5
72.99290	1.8
73.02930	1.1
78.10004	0.8
79.31995	0.8
80.48208	0.7
81.03460	16.1
83.01385	20.3
84.02163	2.1
85.02949	100.0
88.98809	7.7
89.00336	3.6
89.51056	0.8
91.01868	3.7
95.01394	0.9
99.04520	18.5
101.02495	1.1
106.00580	4.3
108.02129	1.1
111.00876	33.0
117.03427	1.4
121.02950	57.7
123.00874	9.9
123.04504	1.4
127.00373	1.6
127.04007	27.0
129.01936	30.2
134.03732	45.5
136.98778	1.3
137.02422	2.1
138.03217	11.1
139.00371	3.3
139.04024	1.1
147.02974	4.4
149.02435	1.8
149.06090	3.4
152.01192	1.0
153.05574	41.7
160.01659	1.7
166.99878	9.5
167.03505	6.3
171.03009	13.0
173.00888	5.2
175.03928	4.4
178.02676	3.4
182.02191	24.9
189.04053	4.3
191.01866	1.7
193.05063	23.3
196.03751	1.2
197.04568	89.2
215.02016	4.0
223.06076	1.0
233.03001	11.5
237.07741	1.8
251.04253	1.1
261.07620	1.5
262.36432	0.9
263.09631	0.8
265.07175	12.9
269.04562	11.6
327.07358	5.9
353.05161	4.8
371.06116	7.2
431.08261	1.9
546.90637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.0
57.03458	18.6
58.38551	0.5
58.65453	0.5
59.01384	10.7
63.43917	0.5
66.39687	0.6
67.01873	0.9
68.99844	0.7
69.03453	1.2
71.01381	4.1
72.99310	1.1
73.02925	0.6
80.86070	0.5
81.03450	7.9
83.01393	12.7
84.02168	3.9
84.74268	0.6
85.02951	100.0
87.00856	0.8
89.00312	1.0
91.01895	0.8
94.95734	0.6
95.01324	1.1
95.03595	0.6
97.02934	1.4
99.00854	1.2
99.04515	10.9
108.02146	0.9
109.02947	1.1
111.00885	24.1
115.00679	0.7
117.03459	4.2
121.02948	27.4
123.00883	5.9
123.04556	0.7
125.02460	2.6
127.00391	1.0
127.04019	19.7
129.01927	21.4
132.02193	1.0
134.03738	50.1
136.98790	0.9
137.02454	6.7
138.03242	7.1
139.00375	9.2
139.03970	1.3
147.02977	3.0
149.06090	6.3
153.01900	2.6
153.05569	20.4
160.01678	9.2
161.02409	1.1
166.02698	0.9
166.99829	2.4
167.03539	1.0
171.02979	8.8
173.00882	1.0
175.03998	12.9
178.02693	5.6
179.03517	1.2
181.05022	0.7
182.02191	8.5
189.02005	1.2
189.04044	0.7
190.02678	0.9
193.05063	44.6
196.03801	1.5
197.00850	0.8
197.04565	38.4
207.02971	1.5
215.02049	2.5
217.01579	0.8
217.08693	0.7
222.05467	4.4
233.03053	2.9
237.07701	5.0
253.04984	0.7
261.07770	3.9
265.07175	16.7
309.06354	0.9
323.07483	0.7
327.07224	3.5
335.98788	0.7
371.06439	0.9
417.64526	0.7
484.61432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12740	0.2
55.01875	0.9
57.03455	4.1
59.01378	2.8
60.99319	2.3
63.29043	0.2
67.01902	0.2
68.99800	0.3
71.01367	1.0
71.04440	0.2
72.99306	0.3
73.02940	0.5
80.60765	0.2
81.03452	1.4
83.01389	2.0
84.02164	0.4
85.02947	22.2
86.37115	0.2
87.00861	0.9
88.98799	12.1
89.02436	0.5
91.01885	0.4
92.12377	0.5
93.02386	0.2
98.26022	0.2
99.00859	0.3
99.04531	1.7
99.51216	0.2
111.00880	4.2
113.02428	0.3
114.36794	0.2
117.03462	0.5
121.02943	3.9
123.00901	1.7
123.04552	0.2
125.02443	0.2
127.03984	3.4
129.01949	3.8
132.02151	0.2
133.02933	0.9
134.03741	7.3
135.00833	0.4
137.02425	1.0
138.03226	1.0
139.00360	1.2
139.04048	0.4
147.02980	0.9
149.06068	0.4
152.37222	0.3
153.01936	0.4
153.05583	3.2
160.01711	0.7
166.46304	0.2
167.03462	0.3
169.10120	0.2
171.02963	1.2
173.00964	0.5
175.04030	1.6
178.02765	0.4
179.03519	0.3
182.02182	1.3
189.04092	0.2
191.01965	1.1
193.05061	4.6
196.03738	0.3
196.05347	0.3
197.04576	5.7
197.06239	0.5
207.03040	0.3
208.05498	0.4
209.06102	1.1
215.01968	0.4
222.05370	0.5
223.03935	0.3
224.04796	1.1
225.05658	0.5
233.03018	2.8
237.07767	0.8
252.04395	0.3
253.05087	100.0
254.05458	2.0
261.07794	0.5
265.07169	3.5
327.07309	1.5
371.06195	1.1
436.81070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12740	0.2
55.01875	0.9
57.03455	4.1
59.01378	2.8
60.99319	2.3
63.29043	0.2
67.01902	0.2
68.99800	0.3
71.01367	1.0
71.04440	0.2
72.99306	0.3
73.02940	0.5
80.60765	0.2
81.03452	1.4
83.01389	2.0
84.02164	0.4
85.02947	22.2
86.37115	0.2
87.00861	0.9
88.98799	12.1
89.02436	0.5
91.01885	0.4
92.12377	0.5
93.02386	0.2
98.26022	0.2
99.00859	0.3
99.04531	1.7
99.51216	0.2
111.00880	4.2
113.02428	0.3
114.36794	0.2
117.03462	0.5
121.02943	3.9
123.00901	1.7
123.04552	0.2
125.02443	0.2
127.03984	3.4
129.01949	3.8
132.02151	0.2
133.02933	0.9
134.03741	7.3
135.00833	0.4
137.02425	1.0
138.03226	1.0
139.00360	1.2
139.04048	0.4
147.02980	0.9
149.06068	0.4
152.37222	0.3
153.01936	0.4
153.05583	3.2
160.01711	0.7
166.46304	0.2
167.03462	0.3
169.10120	0.2
171.02963	1.2
173.00964	0.5
175.04030	1.6
178.02765	0.4
179.03519	0.3
182.02182	1.3
189.04092	0.2
191.01965	1.1
193.05061	4.6
196.03738	0.3
196.05347	0.3
197.04576	5.7
197.06239	0.5
207.03040	0.3
208.05498	0.4
209.06102	1.1
215.01968	0.4
222.05370	0.5
223.03935	0.3
224.04796	1.1
225.05658	0.5
233.03018	2.8
237.07767	0.8
252.04395	0.3
253.05087	100.0
254.05458	2.0
261.07794	0.5
265.07169	3.5
327.07309	1.5
371.06195	1.1
436.81070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52708	0.3
50.84423	0.3
54.39217	0.3
54.83001	0.4
55.36001	0.4
78.95903	100.0
92.12440	1.0
95.44947	0.5
96.96936	2.9
97.06594	1.5
102.94408	0.4
113.23149	0.4
119.33950	0.4
119.50695	0.4
125.09711	10.7
152.99594	23.1
162.65462	0.5
187.09764	7.5
279.23486	0.4
283.26434	30.3
323.08957	0.9
330.39716	0.5
419.25671	2.3
437.26889	0.6
607.36383	22.4
607.46277	0.8
608.37421	0.6
625.85052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54103	0.4
56.82859	0.4
58.02986	39.4
65.17937	0.5
69.14514	0.5
76.56979	0.4
79.32996	0.5
85.02942	0.9
92.12283	0.8
96.93607	0.5
100.62889	0.6
110.84215	0.6
147.28960	0.6
153.05579	0.6
168.13943	39.1
197.04544	0.7
199.03958	1.2
212.04715	0.6
212.12988	1.2
227.03568	4.1
227.07220	1.2
241.05049	1.0
242.05891	13.2
255.06744	11.5
257.08224	14.7
270.07727	4.5
272.09143	1.0
287.13348	0.8
303.16595	1.0
337.14545	0.7
380.14804	0.7
408.18188	1.3
423.20605	6.5
426.22562	0.7
438.22919	29.5
439.22797	1.2
592.35144	0.7
607.37646	100.0
608.37946	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	607.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19638	0.4
54.37162	0.4
57.03451	0.5
58.02983	40.1
59.01388	1.0
72.31915	0.4
78.95897	0.7
82.72591	0.4
85.02974	3.7
99.04499	0.6
111.00869	1.9
119.35327	0.4
119.45779	0.5
121.02926	2.9
121.65147	0.4
127.04076	0.4
129.01898	0.6
134.03740	2.7
147.45412	0.5
153.05573	0.8
154.21790	0.4
166.14194	0.5
167.90327	0.6
168.13939	40.2
182.02173	0.5
186.06802	0.6
193.05005	1.9
197.04524	2.0
199.04022	2.7
212.04803	0.7
212.12892	1.9
213.05501	0.6
218.05951	0.5
227.03577	4.0
227.07018	0.9
239.03413	0.8
241.05060	0.6
242.05858	15.9
242.08096	0.8
243.06519	0.6
255.06694	12.1
256.07382	0.7
257.08215	14.7
270.07764	4.4
272.09293	0.6
302.07813	0.8
337.14716	0.7
380.14752	0.7
383.54007	0.5
408.18478	3.3
409.19736	0.5
423.20514	7.5
426.22977	2.6
426.84558	0.5
438.22940	29.2
439.22729	2.8
592.34961	0.9
607.37634	100.0
608.37909	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	608.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82554	0.7
56.83249	0.8
57.27570	0.7
59.01150	0.9
59.01389	15.1
71.99238	0.8
72.86454	0.7
78.95907	19.4
92.12321	1.4
104.99823	0.8
106.28088	0.8
129.11774	0.8
139.71590	0.8
152.99561	4.3
168.04318	3.8
224.06915	7.2
242.08052	1.3
309.28043	100.0
310.28397	4.0
534.35699	54.0
535.36316	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46009	0.4
55.39332	0.5
59.01369	0.6
63.02399	0.6
65.00307	0.5
70.57920	0.5
72.06978	0.5
83.01398	0.4
85.02932	1.9
98.50894	0.5
104.14520	0.4
107.01360	3.5
108.02219	0.6
109.02943	0.5
112.46075	0.5
132.02142	0.6
135.00879	1.9
137.10913	0.5
146.63919	0.4
146.67957	0.5
151.00365	3.5
152.01172	0.6
159.04437	0.8
163.00403	1.2
169.06656	0.5
171.04572	0.6
183.04460	0.7
184.29305	0.5
185.06149	2.0
187.04019	2.0
189.05624	0.8
199.03914	0.7
211.04068	2.8
213.05591	1.2
227.03520	46.7
228.03954	1.0
229.05032	6.5
235.38458	0.6
239.03485	1.0
255.03008	85.1
256.03827	5.7
257.04572	5.0
271.02521	0.8
283.02542	2.1
284.03284	100.0
285.04059	42.1
300.02704	1.9
429.08160	1.1
609.14764	69.0
610.14648	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	6.7
57.03185	1.3
57.03456	24.3
58.22506	0.6
59.01390	8.9
67.01874	1.7
71.01389	5.8
71.05031	0.9
72.99312	5.2
73.02950	1.5
75.00863	0.8
75.02188	0.8
81.03462	6.9
83.01388	15.8
84.02169	3.3
85.02948	100.0
86.03265	1.3
87.00880	0.9
89.00329	0.8
92.11692	3.1
96.29575	0.7
97.02952	0.8
99.04523	7.9
101.02457	1.2
108.02124	1.2
111.00880	26.4
111.01647	1.2
119.04996	1.0
121.02945	19.3
123.00888	3.8
123.04512	4.7
125.02425	1.3
127.03997	14.7
129.01933	33.4
134.03745	1.0
135.04564	1.4
136.05305	10.7
137.02454	3.7
138.03232	3.2
139.00368	3.1
139.04010	0.8
147.02989	3.1
149.02437	22.9
151.04013	3.4
152.01176	1.2
153.01956	5.8
153.05576	16.5
164.04819	13.5
165.05487	1.1
166.99895	1.3
167.03506	3.6
171.03032	4.4
173.00943	5.7
173.02257	0.7
182.02193	4.3
189.04120	0.9
189.05698	0.9
190.02730	1.0
195.06656	21.5
196.03717	1.1
197.04550	25.0
205.04988	2.6
207.03082	0.7
207.06714	1.6
208.03699	1.7
211.06203	6.5
213.41125	0.8
215.02097	1.3
223.06100	16.0
225.07770	5.2
235.06226	1.3
236.06932	1.0
237.07866	1.0
250.04837	1.0
263.09238	3.6
265.07138	4.4
269.04630	4.7
279.08578	3.7
329.21341	0.9
341.08926	12.9
361.16443	3.1
369.08371	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	609.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97853	0.3
54.82391	0.4
55.44662	0.4
57.03449	0.7
59.01388	0.8
61.34620	0.4
65.99639	0.4
72.00905	3.0
73.17452	0.4
74.56104	0.4
76.05942	0.4
85.02935	2.5
91.05535	2.4
96.96015	1.0
100.04029	1.1
112.04046	1.9
118.06658	0.5
121.02936	1.0
127.05135	1.1
128.03540	12.2
130.05057	0.9
136.00136	0.5
145.06255	0.8
147.04524	1.7
150.01746	12.3
152.03296	16.5
157.06190	0.5
161.03328	0.6
164.07202	1.8
167.04384	14.5
168.01564	4.7
168.02693	4.0
179.04366	4.1
186.02544	1.5
195.02672	0.6
212.01733	1.7
212.04266	0.6
223.02138	3.9
228.33850	0.5
241.03214	1.7
242.08006	5.4
262.17694	0.5
269.09125	3.2
271.10687	9.1
293.11691	0.5
297.08624	14.2
306.19235	0.5
315.09695	100.0
316.10059	1.8
555.17426	0.5
609.20862	2.2
628.30054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	9.9
57.03447	0.6
59.01385	34.8
59.86436	0.3
67.55659	0.3
71.01382	7.8
71.04992	0.4
72.99296	0.6
73.02946	0.8
75.90369	0.3
83.01382	0.7
85.02946	6.6
86.03291	0.4
87.00859	0.5
89.02447	6.4
95.01377	0.5
96.96008	2.7
101.02426	5.8
108.25826	0.4
111.00864	0.5
113.02448	3.4
115.00339	0.4
115.05498	1.5
119.03482	2.6
121.02945	3.1
123.04505	1.7
131.05019	8.2
133.06584	100.0
134.03745	0.7
134.06888	0.7
134.26790	0.4
137.02414	0.4
150.03224	0.5
153.05623	0.5
158.03702	0.5
159.04500	10.8
161.04568	0.4
163.00385	0.8
163.03990	0.7
163.11276	8.8
170.99632	0.4
177.05565	4.2
193.05093	0.9
197.04495	0.6
203.03532	4.2
207.10307	4.6
221.04555	32.9
225.11388	0.8
255.03259	0.5
284.03122	0.5
285.07715	1.9
305.07080	2.6
313.07132	2.6
343.08295	0.6
347.27493	0.4
387.16617	65.4
388.16895	1.6
475.12756	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	9.9
57.03447	0.6
59.01385	34.8
59.86436	0.3
67.55659	0.3
71.01382	7.8
71.04992	0.4
72.99296	0.6
73.02946	0.8
75.90369	0.3
83.01382	0.7
85.02946	6.6
86.03291	0.4
87.00859	0.5
89.02447	6.4
95.01377	0.5
96.96008	2.7
101.02426	5.8
108.25826	0.4
111.00864	0.5
113.02448	3.4
115.00339	0.4
115.05498	1.5
119.03482	2.6
121.02945	3.1
123.04505	1.7
131.05019	8.2
133.06584	100.0
134.03745	0.7
134.06888	0.7
134.26790	0.4
137.02414	0.4
150.03224	0.5
153.05623	0.5
158.03702	0.5
159.04500	10.8
161.04568	0.4
163.00385	0.8
163.03990	0.7
163.11276	8.8
170.99632	0.4
177.05565	4.2
193.05093	0.9
197.04495	0.6
203.03532	4.2
207.10307	4.6
221.04555	32.9
225.11388	0.8
255.03259	0.5
284.03122	0.5
285.07715	1.9
305.07080	2.6
313.07132	2.6
343.08295	0.6
347.27493	0.4
387.16617	65.4
388.16895	1.6
475.12756	0.8
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
52.59309	0.4
57.03463	6.1
59.01387	100.0
61.98821	0.6
66.19621	0.5
69.03440	0.6
71.01375	5.1
71.05021	0.6
71.19036	0.5
72.99300	0.8
73.02921	2.4
75.00850	1.1
83.01383	0.7
83.05013	2.3
85.02944	4.7
87.00863	9.3
89.02402	1.1
97.02944	1.3
99.00854	1.3
99.04494	2.5
101.02445	4.3
109.06575	2.3
113.02420	3.2
119.08656	3.0
121.06571	2.4
123.04588	0.7
125.06035	0.9
133.10211	3.2
135.08168	3.9
135.11790	1.3
137.09724	8.2
151.11218	0.8
159.11742	4.1
161.09753	6.9
163.07597	4.5
163.11206	0.8
177.12799	0.9
179.10774	9.5
181.08711	15.9
195.10289	0.9
197.11853	46.0
205.08745	1.3
221.11806	1.0
223.09773	13.7
234.24075	0.5
241.10838	47.7
265.10812	0.8
283.11902	24.4
307.79047	0.6
313.12994	10.0
343.14023	39.3
352.91504	0.5
401.14261	0.7
403.16153	49.9
528.98730	0.6
609.29156	30.3
610.29578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.51
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11969	0.2
55.72065	0.2
65.36796	0.2
67.11533	0.2
74.55624	0.2
85.29810	0.2
167.16821	0.2
177.93991	0.3
248.45946	0.2
261.22226	0.2
279.23306	100.0
280.23654	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	611.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15234	14.5
57.51485	16.0
58.66990	14.4
59.01399	13.9
61.98834	33.4
63.11937	16.9
65.46931	18.5
68.51611	19.6
78.95906	100.0
113.07402	19.3
113.72861	18.3
114.39797	21.0
151.90141	18.5
152.99612	22.1
157.06157	24.6
159.76999	17.0
166.61774	21.0
258.69235	18.7
279.23160	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	611.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	7.7
57.03463	17.6
58.34600	1.0
59.01388	11.2
59.89910	0.7
60.45170	0.7
60.99324	0.7
61.49244	0.8
61.98832	2.1
67.01868	0.9
68.58491	0.7
71.01374	4.5
71.05032	2.0
71.72579	0.9
72.99303	4.5
81.03459	15.2
83.01385	23.4
84.02175	1.7
85.02950	67.0
88.98796	4.9
89.00323	4.6
91.01867	1.8
95.01343	1.4
97.02933	0.9
99.00891	0.9
99.04507	19.3
100.06541	0.8
101.02400	1.8
102.19650	0.8
103.98455	1.1
106.00586	4.3
111.00157	1.6
111.00879	38.9
119.03522	0.9
121.02942	80.9
123.00864	17.3
124.01669	1.0
125.02450	0.8
127.00374	3.6
127.04000	16.8
129.01935	29.8
135.04587	1.5
136.98840	1.1
137.02446	2.0
138.03214	11.8
139.00388	5.3
147.03033	1.0
153.05563	43.7
154.02730	0.8
165.93178	0.9
166.99840	13.8
171.02988	11.6
173.00980	1.3
182.02206	32.8
191.01988	1.8
196.03783	1.0
197.04561	100.0
203.10115	0.8
207.03026	1.0
215.01968	4.4
222.05324	1.7
237.07617	2.1
256.03662	0.9
265.07196	14.4
327.07263	1.4
353.05191	1.1
370.08182	1.0
371.06235	1.1
377.15195	0.9
431.08472	1.0
518.09131	0.9
612.49768	0.9
630.27997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09366	0.3
54.14580	0.2
55.01884	0.8
57.03454	3.7
59.01389	38.4
61.29689	0.2
66.04041	0.3
67.18717	0.3
71.01379	0.5
72.82348	0.4
79.95746	1.5
83.01374	1.5
84.02198	0.3
85.02950	21.5
91.80962	0.3
96.95998	89.7
97.06599	0.7
98.95537	0.3
111.00867	1.6
120.52835	0.3
121.02944	2.1
125.02499	0.4
129.01926	3.1
135.08167	0.5
147.02991	2.0
147.08154	2.3
149.02435	0.4
150.03191	0.7
152.01147	1.5
153.05638	1.2
165.05524	0.6
165.09167	0.6
167.03519	2.3
173.00958	0.3
181.12457	0.4
182.02295	0.5
184.25479	0.4
191.01974	4.8
195.06702	0.4
197.04564	2.6
209.03059	1.6
225.11339	30.8
226.11710	0.6
279.70847	0.3
305.07040	100.0
306.07333	3.5
389.07394	3.8
567.17798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82814	0.3
55.01870	2.4
57.03438	0.7
58.00590	0.5
59.01389	28.8
70.94893	0.3
71.01383	10.5
71.20141	0.3
72.99292	2.2
73.02950	16.5
75.00867	2.4
83.01376	2.1
85.02963	4.7
87.00857	0.9
89.02454	2.9
92.12307	0.7
95.01351	0.5
96.96001	2.0
99.00869	1.6
101.02441	6.2
109.06618	0.4
113.02433	2.6
119.03451	0.5
124.01660	0.5
125.02472	0.4
129.01865	0.4
135.08067	0.4
137.02425	0.9
137.09747	0.4
141.07080	0.5
145.10184	2.0
147.93320	0.4
149.06061	0.4
155.08658	4.3
156.05759	0.5
156.16820	0.4
157.06470	0.4
161.04524	0.6
161.09709	0.7
163.11310	0.5
165.05551	1.7
171.08203	2.6
171.11650	0.4
181.08705	0.4
181.10158	1.5
183.11798	22.9
184.12042	0.5
185.13397	0.5
196.08788	0.4
197.09776	0.8
199.07645	1.4
199.11304	2.2
201.12863	1.9
209.09753	0.4
209.26892	0.3
211.11331	2.1
211.14931	7.9
212.15288	0.6
213.12834	0.7
213.16516	6.1
215.10735	0.4
224.12083	1.5
225.07719	4.1
227.10796	15.2
227.14417	2.4
228.11122	0.4
229.12474	0.6
229.15988	13.6
230.16292	0.4
231.17549	2.5
237.12903	1.6
239.14435	33.0
240.14798	0.8
243.06705	1.5
245.11852	2.5
255.10228	0.5
255.13934	1.7
257.15500	24.7
259.17032	0.7
271.09814	13.2
271.12903	0.7
271.17056	0.7
275.16602	7.5
281.15628	0.7
283.13425	6.8
299.16409	0.8
301.14484	8.9
302.14844	0.5
317.13858	0.4
319.15558	1.8
327.12503	3.7
345.13458	11.5
363.14526	22.4
364.14917	0.5
405.15610	3.8
416.93372	0.4
437.21976	0.4
507.18558	0.4
523.21991	0.6
525.19733	9.9
549.19794	1.8
567.20898	100.0
568.21063	7.0
611.25848	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	611.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73796	0.1
64.33908	0.2
66.39981	0.2
72.00911	8.1
74.02471	12.7
82.92513	0.2
88.94542	0.2
103.13277	0.2
116.05058	38.7
117.05399	0.4
130.06621	1.1
140.38412	0.2
142.06624	11.7
157.07718	0.2
159.09276	9.7
186.05606	2.3
203.08287	100.0
204.08589	2.4
214.67723	0.2
360.81818	0.2
579.79425	0.2
634.57623	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03451	2.0
58.00592	0.7
59.01389	68.9
60.01717	0.5
62.88453	0.4
67.05551	0.6
68.91281	0.5
70.72298	0.4
71.01384	7.9
72.99297	0.9
73.02928	1.9
82.10448	0.4
83.01376	0.6
85.02946	2.8
87.00869	2.7
89.02443	6.8
95.01400	0.5
97.02970	0.6
99.04510	2.5
101.02435	8.6
109.06567	0.7
113.02452	4.1
114.40849	0.5
119.03503	2.8
119.08631	1.2
121.06582	0.6
123.00892	0.6
123.53355	0.5
124.01654	2.6
124.05331	0.5
131.03583	0.6
135.08130	1.1
135.11856	1.8
137.02473	0.8
137.09732	7.8
139.04027	1.8
142.39629	0.5
143.10753	0.6
147.08144	0.9
161.08415	0.6
161.09737	3.1
163.07657	4.0
163.11287	32.6
171.10284	2.5
179.10799	5.3
181.08640	4.4
189.11452	0.5
194.09880	0.5
197.11824	7.0
221.11812	0.6
223.09744	2.9
241.10899	2.7
257.15549	1.2
275.63187	0.5
283.11768	1.0
293.52209	0.5
363.14490	3.3
369.15475	0.8
387.16605	19.6
549.27081	3.0
551.25043	4.3
567.20612	4.9
593.26111	3.1
611.27185	100.0
612.27618	5.1
616.07288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23772	0.3
56.46234	0.3
57.03461	2.4
58.00632	0.4
58.24771	0.3
59.01388	75.7
60.08374	0.3
71.01383	10.3
72.99326	0.5
73.02963	2.8
75.27510	0.4
77.52015	0.3
83.01396	1.4
83.05025	0.8
85.02956	2.8
87.00867	3.7
89.02439	8.3
93.03413	0.6
95.01410	0.7
95.05019	0.4
97.02910	0.4
99.00908	0.6
99.04518	1.7
100.98839	0.4
101.02430	8.8
102.77869	0.4
109.06599	0.8
113.02461	4.5
119.03494	2.9
119.08666	2.3
121.06586	0.6
123.18336	0.4
131.03505	0.4
133.10182	0.5
135.08170	2.8
135.11845	0.5
137.02495	0.8
137.09721	9.4
159.11757	0.6
161.09720	2.0
163.07712	4.4
163.11296	5.4
167.10741	0.5
178.45801	0.4
179.10791	5.1
181.08693	4.4
182.09212	0.5
195.10304	0.4
197.11896	5.1
207.10301	10.6
221.11801	0.5
223.09787	2.1
241.10722	2.9
242.11133	0.5
269.04303	0.5
279.57211	0.4
283.11923	0.7
343.13849	0.8
344.14343	0.5
369.15524	2.3
387.16629	20.8
403.16190	0.6
404.16373	0.9
405.16092	0.5
413.12610	0.4
499.21881	0.4
549.27020	3.5
551.25281	4.9
551.77954	0.5
593.25867	2.0
611.27167	100.0
612.27454	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	611.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	2.0
57.03446	3.4
57.63046	1.5
59.01385	100.0
61.98824	9.4
71.01379	17.8
71.05022	1.7
73.02941	6.9
75.00860	1.7
75.90506	1.4
85.02942	8.9
87.00852	2.2
89.02452	6.9
92.11628	2.6
95.01357	2.4
96.95985	6.9
101.02415	4.0
113.02434	4.1
117.14172	1.4
135.08179	2.8
135.39919	1.6
137.09694	3.6
155.08580	1.7
161.04559	1.8
161.09642	3.4
163.07683	2.9
171.10274	2.7
179.10840	3.5
181.08672	8.7
182.02461	1.6
183.11745	3.3
197.11830	16.9
211.15154	1.8
223.09729	8.7
239.14455	9.9
241.10814	7.6
257.15546	6.6
283.11765	2.7
301.14490	1.9
343.14212	2.4
345.13300	2.0
363.14511	4.2
401.14703	3.1
410.51303	1.9
567.20673	27.3
568.21075	4.0
611.30975	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32288	0.2
54.82309	0.2
62.03210	0.2
72.85088	0.2
73.02950	0.3
78.95885	0.5
92.12428	0.7
99.92581	6.1
116.92855	100.0
116.97220	4.0
117.01939	0.5
117.92863	1.0
152.99609	0.4
163.20293	0.2
252.75600	0.2
255.23294	1.3
261.06757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10720	0.1
54.82700	0.1
59.01374	0.2
73.02928	0.4
78.95895	0.6
87.04408	0.2
99.00887	0.2
99.92574	5.4
108.23479	0.2
115.02359	0.1
116.92851	100.0
116.97227	1.6
117.01953	1.3
117.92845	1.1
184.77724	0.2
201.20996	0.2
255.23276	0.7
334.24844	0.2
425.97968	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	9.3
57.03458	26.0
59.01380	4.3
65.00330	1.0
66.03761	0.4
67.01887	2.4
68.99821	0.7
71.01383	3.1
71.80939	0.4
72.99311	2.0
75.00876	0.4
81.03442	0.5
83.01391	23.4
84.02162	1.7
85.02952	87.8
86.78674	0.4
87.00867	0.7
91.01886	12.5
92.12412	1.3
93.03458	3.4
95.01392	2.5
99.00861	1.5
101.02456	1.1
108.02176	30.0
109.02996	3.8
111.00882	44.3
114.12912	0.4
121.02062	0.7
121.02955	35.0
123.00893	12.8
123.04520	49.8
124.01674	10.4
125.02428	0.7
127.00433	0.5
129.01944	52.7
133.06549	1.8
135.04530	0.7
136.01666	3.8
136.98824	0.6
137.02426	3.0
139.00334	1.4
143.04851	0.5
147.02998	3.5
147.04510	2.0
147.17827	0.4
151.03998	2.4
152.01160	39.6
154.99852	2.6
159.04492	0.7
161.06090	1.8
163.04045	4.6
164.04791	5.1
166.02679	4.6
167.03500	100.0
167.91843	0.5
168.03882	0.7
173.00905	3.2
173.02318	0.5
174.03253	4.4
175.04047	0.8
176.04823	1.0
177.01909	0.6
179.07089	0.7
181.05194	0.6
184.29703	0.5
189.05560	5.2
190.02753	0.7
191.03542	1.7
191.07115	0.6
192.04306	19.6
197.04576	0.6
202.02643	0.9
205.04958	0.5
207.02927	1.0
207.06653	28.4
207.08652	0.9
208.07066	0.4
217.05202	0.4
220.03795	4.0
233.04529	1.0
235.06145	50.3
236.06366	1.0
237.07716	0.5
251.05626	2.0
257.27750	0.5
261.04053	1.0
269.45447	0.5
279.02264	0.7
279.05133	12.4
295.04605	1.9
297.06158	5.2
319.39957	0.5
323.04117	5.9
341.05182	1.7
360.54898	0.5
387.16632	0.6
390.11740	0.5
401.08011	0.6
447.09503	0.8
463.08755	1.1
613.28607	2.4
632.76776	0.5
635.95764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15524	0.3
52.58814	0.4
54.38461	0.3
54.82753	0.5
55.01884	7.9
55.38468	0.4
57.03456	9.4
58.85850	0.4
59.01116	0.5
59.01386	12.2
61.50321	0.4
65.00323	1.6
67.01879	1.0
68.99809	0.5
71.01379	3.4
72.99296	2.3
73.02934	0.8
75.00867	0.8
82.11417	0.4
83.01383	15.0
84.02148	0.7
85.02946	48.7
87.00867	0.6
91.01885	12.5
95.01349	0.8
99.00855	1.8
101.02434	0.8
108.02173	23.8
109.02951	1.7
111.00875	26.4
115.05476	1.6
121.02947	44.3
123.00900	3.7
123.04514	45.6
124.01659	3.9
125.02369	0.5
129.01927	11.6
131.05026	6.6
133.02969	2.8
133.06583	25.1
136.01666	0.9
139.00354	0.9
143.04993	4.3
147.03027	1.6
151.03990	1.0
152.01149	41.4
154.99916	0.5
158.03793	0.7
159.04523	5.7
161.06073	27.0
163.04001	0.5
164.04861	0.6
166.02689	2.3
167.03487	100.0
168.03766	0.6
174.03256	0.8
176.04800	0.6
177.05637	0.4
181.05081	0.5
189.05566	17.0
192.04289	3.9
207.06621	5.5
220.03725	0.5
233.04564	6.9
235.06126	20.3
240.94670	0.4
243.12416	0.4
251.05663	0.9
259.02301	0.5
277.03564	2.9
279.05099	2.6
297.06116	0.7
323.04163	2.4
341.05396	0.8
378.79034	0.4
386.85730	0.4
463.08838	2.0
562.21301	0.4
613.28381	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	613.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83165	0.2
55.08630	0.2
57.03453	2.6
57.28794	0.3
59.01392	2.7
60.24299	0.3
66.55645	0.3
67.01033	0.3
71.01364	0.6
82.51131	0.3
84.37471	0.3
85.02964	2.6
88.04031	0.6
88.04633	0.2
96.96017	2.1
99.04507	1.8
101.02399	1.2
102.75832	0.3
107.30637	0.3
113.02473	0.4
125.02441	1.2
129.01959	0.4
130.07817	0.5
130.08733	12.6
131.09055	1.8
132.02139	3.5
132.03021	0.9
135.00897	0.5
137.06029	0.3
150.68051	0.3
153.01923	0.6
167.03522	0.3
172.09792	5.6
173.10126	1.5
179.03514	0.3
181.05028	0.4
182.02284	0.3
195.04553	1.4
208.05325	1.5
213.30820	0.3
223.04037	7.2
223.12976	0.3
224.04774	2.4
251.03479	5.6
251.07614	0.3
251.11316	0.4
252.04291	55.7
253.05048	12.9
293.12570	0.3
295.05975	0.7
395.15582	1.9
396.15802	0.5
415.10406	100.0
416.10654	2.5
613.17542	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	613.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.2
57.03443	4.6
59.01153	1.3
59.01390	22.7
61.45187	1.0
67.01900	1.7
68.99813	2.3
69.03429	1.7
71.01389	23.0
72.44449	1.1
72.99312	9.3
73.02941	2.4
75.00883	17.4
76.57631	1.1
81.03465	1.6
85.02959	28.5
87.00874	5.4
89.02450	6.2
91.01876	4.3
93.03456	4.7
94.73671	1.1
95.01356	7.2
96.95986	7.1
99.00879	12.9
102.72304	1.1
103.00390	2.3
108.02170	8.5
109.02944	5.2
111.00861	4.9
113.02435	20.1
115.00388	1.9
117.01902	2.8
121.02931	6.7
122.03730	4.9
123.00898	1.5
123.04526	31.0
125.02331	1.2
129.01900	2.6
149.02426	14.7
150.03226	53.1
151.00336	8.1
151.04065	13.5
152.01147	21.4
153.01909	8.1
156.32565	1.2
164.04794	2.6
165.01947	2.7
165.05554	47.0
166.02612	1.4
167.03491	62.0
180.04236	4.8
181.05049	4.9
183.97826	1.1
189.04042	1.3
191.03070	1.2
195.06664	7.7
221.56209	1.2
225.11330	1.7
226.04773	2.7
227.05612	4.4
231.05193	1.8
241.07211	5.3
249.06149	45.1
256.07443	4.7
267.07083	1.2
271.09830	1.9
305.06992	5.1
315.08661	4.4
355.10208	1.6
399.09329	1.8
416.09586	7.3
417.10257	9.1
431.12103	2.0
565.16028	4.3
595.16632	6.2
613.17798	100.0
614.18054	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	613.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80494	0.7
54.82316	0.9
55.01883	3.3
56.02304	0.9
57.03443	4.9
59.01387	64.8
63.26304	0.7
66.32304	0.7
71.01385	11.5
73.02932	4.3
74.87740	0.9
74.92735	0.7
75.00874	0.9
83.01375	5.5
85.02945	19.5
87.00860	3.9
89.02419	5.2
91.01895	1.7
96.95995	10.1
99.00851	1.6
99.04514	1.4
101.02426	9.8
108.02151	4.9
111.00879	4.7
113.02444	5.8
119.03501	3.0
121.02948	12.3
121.03845	1.0
121.04126	0.8
123.04527	11.9
128.76372	0.9
129.01971	4.0
131.04962	0.9
133.06598	4.9
135.08186	1.5
137.02385	1.8
137.09740	7.1
152.01183	9.6
161.06088	4.9
161.09714	1.1
163.07631	2.1
163.11301	1.2
167.03513	21.9
179.10811	4.9
181.08698	3.5
189.05609	4.1
192.29858	0.8
225.11403	1.2
227.07216	1.9
235.06073	3.5
337.45947	0.9
364.57690	0.9
371.17136	4.2
389.18176	22.1
470.23492	9.8
551.28845	1.9
553.26367	5.3
583.80969	1.8
595.27936	1.4
613.28766	100.0
614.29449	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	613.542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52419	0.1
50.84386	0.1
61.98819	0.1
67.12637	0.1
85.47860	0.1
107.60670	0.1
122.18788	0.1
123.33569	0.1
137.66513	0.1
255.23328	100.0
256.23682	2.7
329.16071	0.1
429.09473	0.1
479.92474	0.1
546.57239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62318	0.1
53.70873	0.1
53.87584	0.1
57.03456	0.3
59.01392	0.2
63.44806	0.1
68.29757	0.1
79.95742	1.3
82.95425	4.3
83.01395	0.2
85.02965	1.7
92.11791	0.2
96.96010	100.0
97.22182	0.1
101.02419	0.1
111.00877	0.2
121.02934	0.5
129.01978	0.3
137.02521	0.1
137.59332	0.1
153.05582	0.2
175.00298	0.1
182.02141	0.1
197.04601	0.6
220.36957	0.1
240.04378	0.2
269.04562	9.8
339.99149	0.1
451.74396	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46553	0.1
57.03459	0.1
59.01383	2.2
62.70244	0.1
64.95153	0.1
71.01378	0.7
73.02929	0.4
73.61636	0.2
78.95888	0.2
79.95737	2.0
80.68237	0.1
82.95435	0.2
83.01379	0.3
85.02931	0.8
96.96002	100.0
97.93127	0.3
99.36847	0.2
101.02445	0.3
114.93380	1.1
129.01987	0.2
133.02953	0.2
134.03850	0.2
150.03191	0.2
176.19135	0.2
193.05026	0.3
245.15501	0.2
269.04572	8.6
275.16617	0.2
291.16006	0.3
367.17532	2.7
571.24237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40489	0.1
57.03469	0.1
59.01396	0.8
60.13116	0.1
68.95004	0.1
71.01385	0.2
73.02946	0.4
75.86270	0.1
78.95908	0.7
79.95741	1.7
85.02949	0.2
92.64764	0.1
96.63789	0.1
96.96002	100.0
97.06155	0.1
97.93121	0.2
101.02451	0.4
111.14340	0.1
113.92664	0.4
114.93391	0.8
133.02924	0.2
179.69696	0.1
209.20332	0.1
268.03827	0.5
269.04562	7.8
270.04861	0.2
311.05405	0.2
336.74124	0.1
401.86151	0.1
498.51212	0.1
571.27142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00793	0.3
54.26196	0.3
55.01856	0.4
57.03443	1.4
58.00589	0.7
59.01384	60.0
64.34764	0.3
69.03453	1.6
71.01377	25.9
72.99303	0.7
73.02940	43.4
75.00847	0.5
79.49601	0.4
82.95383	0.7
83.00921	0.6
83.01386	9.8
84.29179	0.3
84.95127	0.4
85.02938	5.1
87.00859	0.5
89.02436	6.2
95.01383	0.5
96.96001	0.7
97.02930	0.5
99.00900	0.4
99.04484	0.6
101.02429	32.6
111.00922	0.4
113.01711	0.6
113.02445	9.7
113.06053	0.5
113.96420	0.4
119.03469	2.3
125.02425	1.8
131.03481	3.0
133.64148	0.4
143.03496	2.5
149.04550	5.1
152.01143	0.9
155.03435	0.7
161.04552	10.6
191.14452	0.5
203.05638	1.5
217.16029	0.7
221.06686	5.2
231.17522	1.4
245.15492	2.7
259.06100	0.7
269.04565	2.3
273.18506	0.5
285.18735	3.0
287.05399	0.5
287.20218	0.7
303.19528	2.9
305.21310	1.9
331.19092	3.6
349.20203	7.9
365.19507	2.2
367.21271	100.0
368.21530	2.1
416.08105	0.4
465.56851	0.4
616.17004	0.8
634.64630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81678	0.9
59.01389	1.7
61.72566	0.8
64.23067	0.8
76.57860	0.9
85.04074	2.1
94.06606	2.2
95.03757	2.3
96.08150	1.0
105.05857	2.2
107.03769	3.8
114.93913	1.0
120.08182	50.6
121.05271	1.1
122.06117	75.2
124.07693	8.4
125.92428	0.9
126.90928	1.0
128.03552	7.2
134.06148	1.3
136.07666	3.8
144.04527	8.4
146.06110	1.3
152.07149	1.5
157.06192	3.8
160.04076	2.0
161.04936	1.2
162.05643	5.0
164.07158	2.1
172.07648	0.9
173.04852	1.8
174.05609	8.2
184.55696	0.9
188.03575	2.2
200.07176	1.6
203.05894	8.8
222.07953	4.4
223.08722	6.7
223.12456	1.7
224.83656	0.9
225.14003	2.0
235.08702	1.4
236.09552	9.9
237.10315	6.1
238.11151	1.9
239.08276	1.2
241.13484	1.7
247.12524	1.0
249.10280	6.5
249.13963	4.9
250.07460	2.1
250.11086	5.2
251.11925	63.2
252.12573	5.1
253.09918	1.1
254.10686	1.1
262.07376	1.9
263.08255	11.7
263.11987	11.3
264.09036	7.8
264.12585	2.1
265.09839	4.4
265.13489	9.7
266.10486	3.3
267.11377	1.7
268.08597	7.7
269.12839	1.3
275.08298	1.2
275.12015	1.4
276.09055	9.9
277.09848	49.7
278.10617	14.9
279.11435	5.4
280.08783	1.1
282.10086	5.2
283.10892	1.7
285.12421	2.1
287.14078	1.7
290.10751	1.3
291.11420	51.3
292.12195	58.9
293.12997	44.8
294.13470	1.6
295.10852	4.5
295.14441	1.2
296.11734	4.4
297.12442	2.3
302.69009	1.1
303.62238	1.0
306.10071	2.0
309.12317	1.2
310.09552	1.4
318.09879	1.5
319.10846	6.3
320.09167	4.7
321.09586	1.6
324.11267	18.3
325.11783	3.6
326.12857	1.4
327.13635	3.8
330.12750	1.3
335.10437	16.6
336.11169	17.8
337.11914	10.7
345.14667	1.4
358.15750	1.4
361.17877	1.1
372.16934	3.8
372.21039	1.7
374.18854	13.3
375.19363	4.2
376.20255	1.6
386.15024	3.8
387.16116	1.3
388.16473	1.4
400.16727	1.6
401.17676	2.0
402.18155	1.8
405.16791	1.5
414.18115	4.6
415.19122	2.2
416.19916	29.1
417.20471	2.3
420.19385	15.0
442.17676	1.4
448.22574	1.8
460.18878	53.4
461.19620	25.1
492.21436	100.0
493.22067	7.5
495.28235	1.9
497.25565	6.4
539.26672	36.0
545.97894	1.2
565.24854	1.8
583.25726	79.7
584.26215	3.6
615.28259	34.1
616.28888	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	615.3157
Annotation	Chondramide C
Peak:m/z	Relative Intensity
52.82490	2.7
59.01399	27.4
65.55334	2.7
71.01381	27.9
74.43414	2.8
78.95895	6.2
83.01381	6.3
85.02933	5.3
86.84931	3.1
89.02442	31.6
98.55420	3.2
101.02423	6.7
113.02428	18.6
119.03523	3.7
125.09752	12.1
134.01469	3.6
152.99529	5.7
161.04596	3.7
173.78859	3.2
179.05629	4.7
255.23300	39.4
281.24869	3.7
323.09799	19.8
341.10934	100.0
421.60834	3.1
448.58295	3.5
453.26682	4.1
579.33832	18.9
615.31537	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3157
Annotation	Chondramide C
Peak:m/z	Relative Intensity
51.21216	6.7
51.24952	7.5
51.79927	7.2
60.34258	7.8
65.16798	6.4
66.01785	7.7
73.93781	7.1
78.95895	13.8
85.02958	8.3
105.11156	8.0
108.03964	8.1
109.83163	6.9
116.92812	8.9
136.56786	8.5
152.99628	11.0
159.65514	7.8
197.02245	12.1
208.10828	7.6
230.85431	9.6
230.87723	8.6
253.64297	8.5
453.26221	36.8
615.31506	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	615.316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10512	3.4
54.13175	2.4
56.83982	2.9
59.01387	42.8
59.47231	2.8
64.64973	2.7
71.01386	33.9
78.95916	5.5
87.00869	4.6
89.02434	39.8
101.02430	17.5
104.82273	2.9
113.02450	6.5
119.03512	21.0
152.99582	6.1
165.78690	3.8
179.05644	21.2
195.22391	3.3
215.03337	15.1
255.23300	100.0
269.24969	6.8
323.09927	31.2
326.96481	3.3
340.32776	3.1
341.10999	42.8
352.31760	3.2
386.86780	4.0
392.67523	3.3
445.78668	3.2
449.26578	3.6
467.62253	3.8
534.82526	3.3
579.33966	82.1
589.21826	3.4
615.31683	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91956	2.5
54.69814	2.3
59.01388	28.4
63.87386	2.5
67.38454	2.5
71.01388	24.6
73.02936	6.9
78.95905	5.7
85.02959	6.2
87.00874	40.6
89.02432	29.9
92.65712	3.2
101.02435	19.9
113.02451	25.2
116.92876	3.4
143.03476	4.4
152.99579	4.5
161.04573	13.4
179.05658	5.8
191.33716	3.4
228.12781	3.0
255.23323	100.0
268.58664	3.3
269.24860	58.5
293.17993	3.9
297.24335	12.7
323.06143	5.1
323.09674	36.9
341.10876	61.2
390.34323	3.1
453.26242	28.4
579.33978	99.4
615.31641	83.0
624.38367	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	615.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11144	1.5
59.01391	3.1
60.05722	1.9
61.98830	1.9
76.61399	1.8
78.95879	3.7
83.83543	1.9
85.02983	2.5
87.00871	2.8
89.02441	1.9
98.94704	1.5
105.28011	1.6
113.02464	4.4
128.52899	1.7
148.35352	1.5
166.00642	1.7
249.76088	2.1
255.23332	100.0
307.32904	1.8
323.09863	39.9
469.84314	1.7
579.34076	8.2
615.31384	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	616.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.3
57.03456	2.7
59.01113	0.6
59.01388	13.4
61.98840	23.8
71.01369	3.0
73.02956	3.1
81.02175	0.5
81.03479	0.4
82.29150	0.5
83.01396	4.2
83.05036	0.9
85.02946	1.8
89.02404	0.5
92.11758	0.5
95.05005	0.5
96.96011	19.6
96.96936	0.6
98.95587	0.8
99.04516	1.0
101.02428	2.2
108.01450	1.0
108.02180	25.9
109.06627	0.5
111.87082	0.5
112.07954	0.4
113.02416	0.7
115.92120	0.6
116.92859	3.9
119.08677	0.8
121.06546	0.5
123.04519	14.7
125.02460	0.7
125.06074	0.6
135.08131	0.6
137.09717	3.0
138.09242	0.8
147.19536	0.4
152.01161	71.7
153.01927	0.6
161.09749	2.1
163.07654	4.1
166.08771	0.6
167.03496	100.0
177.09229	0.4
179.10777	1.7
181.08693	4.8
184.09773	0.6
195.10196	0.6
196.85634	0.4
197.11830	2.4
198.11424	0.7
203.10843	0.9
205.08795	0.7
205.44095	0.5
223.09726	2.8
223.21130	0.5
229.08713	0.8
241.10811	3.1
247.09865	1.0
247.63089	0.4
265.10706	1.0
267.23630	0.4
269.04565	8.8
270.04852	0.8
307.11911	0.9
325.13046	2.0
376.99274	0.5
385.15070	9.2
429.72153	0.6
553.19336	44.3
554.19916	0.9
578.38971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39951	0.2
52.41785	0.3
57.03446	0.4
58.02980	1.4
59.01378	1.9
65.32045	0.3
65.72278	0.2
66.59422	0.2
70.02985	0.6
71.01381	6.9
72.00914	0.4
85.02973	0.5
85.04082	0.3
88.04037	88.1
89.04371	0.3
91.05518	2.6
96.96009	1.3
96.99312	0.4
99.04467	0.3
103.20589	0.3
105.58009	0.3
114.01968	4.5
115.00375	15.6
121.02937	0.4
123.04501	0.3
128.03546	0.6
132.03024	100.0
133.03331	0.6
134.06108	1.2
135.04524	3.2
136.04085	0.3
138.87860	0.3
147.04567	1.6
157.06137	0.5
164.07152	3.6
167.03514	1.2
198.59683	0.3
201.59698	0.3
206.08237	7.9
215.99454	0.3
218.38983	0.3
228.08824	0.3
232.06154	0.6
250.07231	75.8
251.07571	1.2
286.10446	0.5
378.09665	0.3
465.32581	0.3
483.63992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84025	1.0
69.45044	1.4
71.01372	6.9
80.64507	1.4
82.03005	2.1
85.04086	41.1
85.76876	1.9
85.97990	1.2
87.05646	11.3
88.04030	7.9
102.00198	5.9
109.04078	3.0
119.02788	2.5
119.79261	1.4
127.05117	9.2
128.03534	74.6
128.04498	2.9
135.05641	3.4
137.81723	1.6
145.06194	2.9
152.08310	8.8
153.06688	3.4
157.06178	54.1
159.07764	2.1
166.06212	5.9
174.02234	11.9
178.06250	2.7
179.04575	7.0
184.07233	1.8
191.04968	5.8
191.17004	1.5
196.07277	13.2
197.05786	1.8
224.10236	1.9
242.11555	1.9
268.09286	3.1
286.10507	14.0
302.08356	1.5
320.09238	100.0
616.32611	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	617.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31597	0.5
53.32516	0.5
59.01389	2.8
62.47982	0.5
71.01377	1.0
77.69246	0.6
78.95901	0.7
79.95718	1.0
85.02908	0.5
96.96008	76.0
97.95952	1.5
98.95593	33.7
98.96419	6.7
99.92580	21.8
100.93373	2.1
101.58871	0.6
103.00364	0.7
113.02406	0.7
115.92078	26.6
116.92859	100.0
117.92834	0.9
117.93613	0.7
122.99242	0.6
141.93648	3.2
142.94420	1.4
167.06389	0.6
168.94368	0.6
184.91814	1.4
188.58490	0.6
212.95045	0.8
224.94876	0.7
242.96082	2.3
243.96930	0.8
261.97769	0.7
269.04544	15.0
270.04932	2.8
271.05203	1.3
346.97372	0.6
347.98065	2.1
352.97861	4.9
368.97116	1.3
380.97913	0.6
428.76602	0.7
466.73917	0.6
531.02118	1.2
573.03668	2.9
573.28998	1.1
617.02594	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	617.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43340	0.5
73.02945	6.5
73.03283	0.8
78.95900	2.8
85.02950	1.5
107.05016	5.3
109.06586	23.9
116.92876	1.2
127.07641	71.3
150.04762	0.7
152.99590	2.6
171.06628	100.0
255.23241	4.8
316.98254	0.9
354.98123	6.3
390.06146	0.8
392.97693	0.7
402.98254	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82349	0.9
55.01897	9.2
57.03455	10.0
59.01389	55.2
60.01722	1.6
61.12627	0.8
62.31071	0.9
62.55999	0.7
64.34161	1.0
65.00335	1.9
67.01903	1.3
67.78027	0.9
71.01384	11.9
72.99309	3.7
73.02954	2.4
75.00866	3.8
79.68600	0.9
83.01378	21.0
83.05029	1.5
83.46040	1.0
84.02178	6.5
85.02950	51.4
87.00889	2.2
89.02428	3.4
91.01891	12.4
93.03448	3.8
95.01387	1.6
96.96015	1.6
99.00887	5.7
99.04510	33.2
101.02451	5.3
106.04209	1.2
106.42830	1.0
108.02184	18.7
109.02959	5.4
109.06584	18.2
111.00881	27.4
111.04536	5.6
111.08159	2.2
113.02448	5.2
117.03474	5.0
121.06569	9.4
123.00884	1.3
123.04518	54.2
123.08147	1.2
124.01660	2.0
129.01959	15.1
131.03429	1.4
134.03734	45.1
137.02466	1.7
138.23682	0.9
139.07655	20.6
141.54602	1.0
147.93250	1.0
149.06107	6.6
152.01157	28.9
152.02357	1.5
160.01671	1.8
166.02727	1.5
167.03496	100.0
167.07117	17.2
173.01050	1.1
174.03342	1.1
175.04028	2.0
178.02718	6.9
192.04301	2.3
193.05060	40.0
207.06680	1.9
211.06129	13.2
216.31410	1.0
235.06139	12.8
237.04138	1.3
253.05164	1.3
255.05110	4.8
261.07620	1.4
273.06204	2.0
279.05139	1.3
297.06454	1.9
323.04105	4.3
417.36655	1.1
467.11356	1.0
479.24304	1.5
485.24158	5.6
536.25500	5.4
536.75562	1.8
570.40375	1.2
582.78912	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35346	1.6
53.49458	1.6
57.03457	100.0
59.01385	68.4
61.98833	4.2
63.82089	1.7
68.31344	1.8
68.99550	2.5
71.01380	10.6
78.95891	8.7
81.03403	2.6
89.02431	10.9
96.96005	14.0
99.04511	64.1
101.02403	16.6
113.02451	4.3
116.92863	12.3
117.92886	2.6
119.03480	4.1
125.02451	33.1
140.04720	1.9
143.03500	2.0
152.99608	3.3
196.03822	4.0
279.23059	6.2
347.38559	2.2
455.33456	2.2
473.34985	9.1
515.36536	2.4
558.26434	4.1
617.39349	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	618.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87660	0.5
54.63036	0.5
57.02974	0.5
59.01394	0.7
61.98840	1.3
68.51099	0.6
77.70182	0.6
78.95904	11.9
83.01684	0.6
88.92975	0.7
92.65234	0.6
105.55856	0.6
113.09729	5.3
116.92822	0.9
140.01218	5.4
143.10742	2.3
152.99593	0.7
159.10274	36.5
196.03770	2.8
237.23695	0.6
273.00784	0.8
279.23309	100.0
280.23471	1.3
297.24567	1.0
356.14841	3.3
440.85550	0.6
476.28558	0.7
618.37927	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99167	0.6
56.01223	0.7
56.36192	0.9
59.53777	0.7
59.97079	0.8
61.98840	0.9
78.95908	14.2
96.96003	1.1
96.96968	1.3
99.88609	0.8
113.09718	10.9
116.92899	0.8
121.37818	0.8
139.61719	0.7
140.01208	5.7
157.08696	1.0
159.10269	100.0
168.47583	0.7
196.03789	3.6
279.23294	31.7
476.27924	1.7
567.24774	1.0
618.37878	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	619.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89816	0.3
58.02974	0.6
67.42775	0.3
68.93995	0.3
70.02960	0.4
72.00909	3.4
74.02462	2.4
82.02972	2.0
83.08794	0.3
84.04552	1.6
86.02486	0.5
93.03456	3.3
97.04049	0.5
99.05657	0.6
101.07185	2.4
106.04234	0.4
107.05033	0.4
109.04082	6.1
112.04002	0.7
113.03546	0.4
114.51871	0.3
119.05022	11.9
123.05653	2.6
127.05128	23.1
128.03529	100.0
132.73323	0.3
134.06081	0.7
136.07631	0.5
141.06709	4.1
163.02971	0.4
163.04007	14.2
167.04623	14.4
180.06668	54.4
181.06950	0.5
184.00826	0.3
185.05711	2.4
217.83482	0.3
247.10867	5.7
291.09891	17.1
309.10944	68.5
310.11224	1.5
390.76880	0.3
518.79559	0.3
623.80304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69123	0.2
58.02975	0.8
59.01360	0.4
62.64477	0.3
63.28507	0.3
71.01379	0.5
72.00912	3.1
73.76107	0.3
74.02473	2.4
78.95844	0.3
81.18485	0.3
82.02971	1.7
84.04549	1.6
86.02487	0.4
87.57327	0.3
93.03438	4.1
99.05640	0.6
101.07202	2.0
106.04301	0.4
107.05050	0.4
109.04079	6.5
112.04070	0.6
115.04021	0.4
119.05021	11.8
123.05650	3.2
127.05136	22.2
128.03537	100.0
134.06131	0.7
136.07733	0.5
141.06715	3.4
142.05457	0.3
145.06320	0.3
163.04024	13.9
167.04628	13.9
180.06679	54.5
181.06998	0.4
185.05696	2.2
201.06717	0.4
237.75493	0.3
247.10831	4.1
262.99561	0.3
265.11874	0.5
273.08835	0.6
291.09927	18.2
291.13232	0.6
294.42584	0.3
309.10968	61.6
310.11200	0.5
407.50574	0.4
533.53809	0.3
589.33002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82531	0.4
58.02988	0.5
59.01379	0.7
65.06466	0.4
69.11858	0.4
70.02952	0.5
71.01390	0.5
72.00906	3.3
73.02924	0.6
74.02477	2.2
82.02970	0.9
84.04533	2.4
85.02940	1.7
86.02493	0.4
93.03460	3.8
96.95996	0.8
97.04076	0.6
99.05650	0.6
101.02443	0.8
101.07202	2.0
109.04071	5.8
111.00828	0.5
112.04054	0.5
115.04021	0.5
117.11870	0.4
119.04169	0.6
119.05003	11.1
123.05672	3.6
127.05130	21.5
128.03534	100.0
134.06125	1.7
136.07594	0.7
141.06696	3.8
141.42427	0.4
162.05693	0.5
163.04012	14.8
167.04623	14.4
180.06673	61.2
181.07016	0.6
185.05673	2.6
209.34895	0.4
212.26721	0.4
221.12962	0.4
247.10893	5.8
273.08932	0.5
291.09909	18.9
309.10971	64.7
310.11304	0.8
331.89981	0.4
593.07092	0.6
623.95081	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	619.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82425	1.1
55.01875	1.8
55.13461	1.0
57.03443	5.2
58.00596	0.9
59.01398	73.3
60.01708	0.9
64.49223	1.0
66.02484	1.1
71.01393	30.0
73.02961	9.8
83.01379	5.6
84.55531	1.1
85.02957	16.9
87.00848	4.6
88.98814	2.1
89.02460	17.3
92.11743	2.4
95.01369	2.1
96.96004	23.5
97.02956	2.4
98.95564	19.5
98.96387	2.0
99.00860	5.1
99.04521	1.1
99.35635	1.0
99.92575	10.3
101.02443	19.4
113.02473	12.9
115.92062	11.3
116.92860	54.0
117.92856	1.5
119.03478	2.7
119.04969	5.0
125.02426	5.5
127.03945	1.3
129.01941	1.2
131.03435	4.1
134.03740	1.3
143.03517	2.5
149.04565	1.3
151.00339	2.4
153.19487	1.1
156.41339	1.2
161.04492	4.3
167.03502	1.4
179.05507	1.1
198.11153	1.2
225.11389	2.0
233.06308	1.9
235.07846	2.4
243.12253	2.9
244.12743	1.5
251.07130	14.2
253.05235	1.8
261.05273	1.2
263.07111	7.1
264.07950	1.8
269.04581	5.3
271.06027	1.8
278.09363	1.6
279.06693	14.5
289.16565	2.2
294.09009	2.8
295.06125	5.2
307.06177	2.0
322.08472	5.1
323.05722	16.8
338.08090	14.1
353.10336	38.3
421.20752	11.5
471.20895	1.4
575.30774	12.4
583.26190	100.0
584.26147	1.9
619.03851	6.1
619.23755	62.1
620.04419	1.4
620.24640	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	619.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82723	1.7
55.01863	1.6
55.96675	1.5
57.03454	100.0
59.01114	2.9
59.01387	74.7
62.96409	1.6
63.97422	1.6
64.09189	1.7
68.80614	1.6
70.86514	1.6
71.01356	7.0
78.95896	12.9
81.03442	2.6
85.02942	3.7
92.11794	3.3
99.04513	66.9
101.02406	21.2
113.21777	1.7
124.47628	1.6
125.02441	43.7
156.89545	3.3
172.89037	2.8
176.26794	2.1
190.90073	3.9
245.52863	1.9
320.96375	2.3
423.32159	2.2
457.35495	4.1
475.36359	26.2
517.37268	3.3
619.41296	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	621.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69468	0.5
54.99372	0.5
55.01882	5.6
56.67129	0.6
57.03457	12.5
57.09037	0.5
59.01389	11.3
60.25672	0.5
60.99323	1.0
65.00343	0.8
67.01898	1.0
67.88299	0.6
68.99822	0.9
69.03474	0.8
71.01362	3.6
71.05016	2.8
71.36560	0.6
72.99300	0.9
73.02933	0.8
81.03464	15.3
83.01395	16.0
84.02159	2.3
85.02958	44.6
88.98813	6.7
89.00329	4.1
90.90700	0.5
91.01901	2.9
91.05526	4.0
93.03461	3.0
95.01399	1.0
96.95961	2.2
97.02946	0.9
98.95564	0.7
99.00877	1.0
99.04526	17.8
101.02430	0.7
105.03445	2.8
106.00594	4.6
106.04289	1.2
107.05035	9.7
108.02158	1.0
109.02913	1.1
111.00886	23.3
117.03437	0.8
119.04970	1.0
121.02954	66.5
123.00878	10.1
123.04513	4.0
125.02421	1.3
127.00406	0.9
127.03069	0.9
127.04007	22.0
129.01932	21.0
133.02934	1.4
134.03741	20.6
135.04535	18.0
136.01563	0.8
136.98807	1.5
137.02431	5.5
138.03242	8.0
139.00391	4.4
139.03975	1.0
145.02969	1.0
147.03049	1.0
148.01643	1.4
149.02470	1.2
151.04004	1.3
153.01891	1.3
153.05583	44.9
154.99875	1.1
155.03575	1.3
157.87349	0.7
162.03279	0.8
163.04015	19.0
166.99860	8.4
171.03021	10.5
173.02414	0.9
176.01117	1.2
179.03494	1.0
181.01454	4.2
182.02223	21.0
188.04803	0.8
189.04047	0.8
190.02718	1.5
191.03595	0.9
191.50395	0.6
197.04573	100.0
207.03000	18.9
215.02010	3.3
216.04228	1.0
219.06415	0.8
222.05373	1.5
223.06097	1.0
231.06721	0.8
237.07777	1.1
250.04912	0.8
253.56232	0.7
259.02234	0.7
265.07184	9.1
268.03763	2.4
283.06223	5.2
309.06271	0.7
353.05029	4.7
369.08267	1.0
459.12250	0.8
520.23572	0.7
526.52509	0.8
577.27112	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.1
57.03450	11.5
59.01389	83.5
60.99306	2.3
61.98841	1.0
62.97195	1.0
71.00997	1.4
71.01382	26.0
72.99291	1.2
73.02948	26.9
83.01386	16.4
83.81748	0.9
84.02173	5.6
85.02464	2.2
85.02952	41.1
87.00864	4.1
88.98803	18.5
89.00295	1.2
89.02437	6.0
92.12421	3.8
94.85753	1.0
95.01382	3.6
95.05010	6.1
96.96001	1.8
97.02953	1.4
99.00868	1.2
99.04533	4.3
101.02436	28.4
103.00389	9.6
106.00635	1.7
109.02911	1.7
111.00874	18.7
112.96797	1.0
113.02429	9.3
113.06099	7.0
113.62510	1.1
115.00373	1.7
117.03458	1.2
119.03490	1.1
121.02941	27.2
123.00876	8.8
123.04541	4.1
127.03939	1.3
129.01965	14.7
133.02835	1.1
134.03740	21.5
135.04536	1.4
136.01666	20.1
136.98827	1.3
137.02415	10.3
138.03226	2.0
139.00314	4.1
139.04036	1.8
141.05585	8.5
143.03520	2.0
145.02945	4.4
149.02524	2.0
149.04517	1.9
149.06071	5.3
151.00372	9.1
151.04016	29.1
152.01091	1.1
153.05600	17.6
161.04582	5.2
163.04051	4.7
166.02715	24.6
166.99861	5.0
167.03479	2.3
175.03958	1.9
177.02011	1.3
178.02724	2.5
181.05078	26.7
182.02177	9.6
185.04561	4.6
193.05052	18.5
197.04556	29.1
205.48279	1.2
221.06308	1.6
235.07722	1.6
247.07613	1.4
253.04941	1.5
253.08669	4.9
263.07196	11.5
265.07318	6.5
269.04538	7.2
275.07144	1.4
281.08197	27.5
291.06839	8.0
292.07303	4.1
293.08212	6.9
294.08841	1.8
296.10641	2.2
307.10059	1.2
308.10611	6.8
309.07755	100.0
310.08014	1.2
323.09235	15.4
324.10071	47.2
339.12415	80.4
341.10513	2.6
342.11194	2.2
349.36874	1.2
356.12543	1.3
357.13504	30.9
364.06583	1.4
383.09998	2.5
387.10632	12.1
387.15024	1.1
402.13342	5.0
417.15637	41.6
419.16370	1.4
501.18201	1.3
517.30109	1.6
531.25140	1.3
576.30426	1.6
577.32355	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	621.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10032	0.2
59.01150	0.3
59.01386	4.4
69.03413	0.2
70.17546	0.2
71.01382	0.4
83.01350	0.4
84.02155	0.5
85.02949	1.4
85.94177	0.2
92.11732	0.8
93.03430	0.3
95.01393	0.6
99.00851	0.4
108.02233	0.3
109.02969	3.0
113.02458	0.3
119.05016	0.3
119.61131	0.3
121.02934	1.7
122.03714	0.3
123.00904	3.2
123.04536	0.5
125.02385	0.6
133.02905	0.4
135.04506	0.3
136.01654	4.1
137.02443	17.3
138.03191	0.5
139.00372	1.2
139.04010	0.3
149.02443	1.7
150.03262	0.6
151.00377	28.8
151.03989	10.1
152.01175	2.6
152.04779	3.0
153.02020	0.4
153.05557	0.6
159.04492	0.6
161.02287	0.3
162.03232	0.3
163.04094	1.1
164.04881	0.4
165.01927	1.6
166.02710	88.6
167.03511	4.4
173.02469	0.3
175.04016	2.0
177.01956	4.6
177.05579	1.1
178.02725	0.6
179.03528	0.5
181.05069	93.5
182.05391	0.6
184.03767	1.7
188.04764	0.3
189.05621	0.6
190.02757	0.5
190.06361	1.5
191.03548	1.9
192.04289	1.6
193.05101	1.4
195.02956	0.4
202.02701	0.3
205.05086	1.3
205.08687	0.6
207.06699	2.1
209.04581	0.5
219.06641	0.7
224.03307	0.4
231.39211	0.3
235.06143	0.3
269.04501	0.5
301.07272	0.5
314.08347	0.3
316.09589	0.4
327.08508	0.4
329.10355	0.5
341.10208	0.5
342.11115	0.3
357.09720	1.0
357.13556	4.8
359.11447	3.3
371.15158	0.5
387.10889	21.7
402.13214	9.0
417.15601	100.0
418.15933	2.1
501.17422	0.4
529.88660	0.3
561.20197	0.6
577.32721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.3
57.03465	56.8
58.00607	1.6
59.01394	100.0
63.85112	0.8
66.94404	0.7
71.01388	49.7
72.99295	4.0
73.02953	33.9
75.00873	1.0
75.49422	0.8
79.05533	1.9
81.03451	2.2
83.01385	10.6
84.97472	0.9
85.02950	10.7
89.02444	46.7
92.65656	1.0
95.01389	1.8
97.06567	1.1
99.04514	47.0
99.80569	0.8
101.02438	63.5
111.00891	1.2
113.02438	19.6
113.06068	6.3
119.03492	16.3
119.32366	0.8
123.04518	18.1
125.02436	16.4
131.03519	4.3
141.05606	4.7
143.03508	5.9
149.04562	4.5
155.03516	1.0
161.04562	61.9
165.39960	0.8
168.29555	1.0
179.05617	23.6
194.80124	0.9
203.05640	1.9
219.66200	0.9
221.06740	4.1
223.62086	0.9
233.06624	6.3
236.99564	0.9
253.15968	21.2
263.07709	23.1
297.14999	3.7
305.08698	1.1
315.16083	13.0
323.09857	78.8
342.19321	1.1
477.21207	11.8
519.22516	1.4
621.25555	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04829	0.1
55.01868	0.1
57.03445	0.3
57.87673	0.1
58.87880	0.1
59.01141	0.2
59.01389	2.6
59.31959	0.1
62.24277	0.1
71.01370	1.0
73.02946	3.2
76.74942	0.1
83.01379	0.7
85.02953	2.1
89.02432	0.3
93.03434	0.3
99.04491	0.9
101.02429	0.2
109.06584	0.2
111.00852	0.8
112.22779	0.2
113.02447	0.3
121.02958	1.1
123.00925	0.2
123.04504	0.8
129.01941	0.2
135.08157	1.1
137.09731	7.2
139.07616	0.8
152.01123	0.2
153.05595	0.7
155.10785	100.0
156.11072	1.3
166.99800	0.2
167.03459	1.6
167.07129	0.2
182.02223	0.3
184.15761	0.1
197.04625	1.5
199.09773	52.3
200.10114	0.9
211.06181	0.4
300.87350	0.2
407.75040	0.2
577.24701	1.2
577.32501	0.7
585.27667	0.2
619.81873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90870	0.2
57.03458	4.7
59.01383	0.5
65.17535	0.3
69.03458	0.3
70.59721	0.3
78.95902	24.5
83.05014	0.5
84.38200	0.3
87.14819	0.3
89.33559	0.3
91.47034	0.3
92.11742	0.6
95.05038	0.6
96.96965	0.5
97.06584	14.0
98.06912	0.4
99.70734	0.3
105.50700	0.3
106.83524	0.3
117.40924	0.3
122.00118	2.5
123.08163	7.1
125.09713	100.0
126.10075	1.8
140.01187	12.8
143.10773	2.2
152.99614	3.2
157.08714	0.3
169.08720	2.6
187.09763	62.6
188.10057	1.5
196.03815	10.3
207.72943	0.4
230.13994	2.8
239.90988	0.3
255.23326	27.7
256.23694	0.6
269.21176	0.5
299.25891	1.5
366.13281	7.3
384.14297	0.4
452.27881	2.8
513.30078	0.4
529.58301	0.4
622.37366	58.4
623.37555	4.8
646.89117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14345	0.1
57.03442	0.1
59.01385	0.7
61.03557	0.1
63.02395	0.7
64.06508	0.1
65.00298	0.6
70.37229	0.1
71.01361	0.1
74.76717	0.1
76.57727	0.1
78.70367	0.1
83.01415	0.2
85.02948	1.3
88.98851	0.1
89.00305	0.1
89.02424	0.1
91.01880	0.4
92.11731	0.1
96.96060	0.1
107.01382	0.8
111.00841	0.1
113.02460	0.1
121.02940	0.2
127.04021	0.1
129.01874	0.1
132.02158	0.1
133.02943	2.1
134.03722	0.1
135.00865	0.3
135.04539	0.5
150.03241	0.3
151.00371	0.1
155.05020	0.1
157.02910	0.4
157.06580	0.1
159.04510	0.9
161.02461	0.1
166.02708	0.1
169.06569	0.5
171.04524	0.1
176.01163	0.1
179.10864	0.1
180.05788	0.6
181.06583	1.5
182.03758	0.1
183.04512	0.9
195.04489	0.1
196.05264	0.4
197.04533	0.3
197.06136	0.4
199.04059	0.3
201.05606	1.1
210.03160	0.1
213.05595	0.3
224.04771	1.0
224.08195	0.1
225.05609	1.1
227.03581	0.3
233.02884	0.1
240.04320	0.2
241.05057	0.4
259.34930	0.1
265.07312	0.1
267.23502	0.1
268.03827	0.3
269.04568	100.0
270.04901	4.0
372.89438	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	623.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09887	0.0
55.01871	0.1
56.17603	0.0
57.03447	0.1
59.01390	0.6
63.02386	0.5
65.00290	0.4
71.01389	0.1
73.02927	0.1
81.03471	0.1
83.01376	0.3
85.02951	0.6
89.00340	0.1
89.02416	0.3
91.01877	0.4
92.11737	0.1
97.02914	0.1
99.04536	0.1
101.02441	0.1
107.01386	0.9
108.02186	0.1
109.02934	0.1
111.00895	0.2
113.02460	0.1
121.02982	0.1
123.00873	0.1
123.04506	0.3
127.03954	0.1
129.01930	0.3
132.02100	0.1
133.02951	2.3
134.03723	0.1
135.00882	0.3
135.04530	0.4
137.02472	0.1
137.09634	0.1
149.04443	0.1
151.00381	0.1
152.01158	0.2
155.05119	0.1
157.02959	0.2
159.04524	0.9
161.02409	0.2
163.04077	0.1
167.03519	0.4
169.06514	0.4
171.04604	0.1
173.06038	0.1
176.01166	0.1
179.10793	0.2
180.05789	0.5
181.06609	1.1
182.03705	0.2
183.04478	0.9
193.12425	0.1
195.04546	0.1
196.05255	0.4
197.04524	0.1
197.06099	0.5
199.03999	0.4
201.05602	1.0
213.05563	0.4
223.04092	0.1
224.04832	1.0
225.01994	0.1
225.04041	0.1
225.05629	1.0
227.03494	0.2
240.04341	0.1
241.05077	0.3
268.03763	0.3
269.04575	100.0
270.04926	3.5
270.07898	0.1
293.08878	0.1
475.21719	0.1
579.22931	0.2
623.25897	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	623.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94492	0.1
56.62109	0.1
58.99512	0.1
59.01383	0.1
65.79089	0.1
71.01382	18.1
72.12749	0.1
77.03990	0.1
80.77441	0.1
85.02961	0.5
87.00896	0.1
90.03911	0.1
91.08099	0.1
93.03384	0.1
104.24131	0.1
115.00372	9.3
121.02950	100.0
122.03280	0.9
134.47797	0.1
189.07968	0.1
237.04066	11.2
238.04457	0.2
281.13889	0.3
283.29977	0.1
382.03549	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	624.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97387	0.1
51.63694	0.1
53.29226	0.1
58.90488	0.1
59.01376	0.7
59.52231	0.1
70.44861	0.1
71.01360	0.6
78.00967	0.2
82.04087	0.6
85.02960	0.3
89.02432	1.0
91.88490	0.1
107.03641	2.9
108.02043	1.9
118.79765	0.1
119.03510	0.2
119.04958	0.1
126.03091	4.7
133.01563	21.1
134.01878	0.2
150.04219	100.0
151.02655	1.2
151.04584	0.6
164.05771	0.2
167.03477	0.2
192.05377	0.2
193.31004	0.2
282.08469	51.5
283.09015	1.4
341.10800	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	625.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36077	0.4
54.40061	0.4
55.01880	1.1
57.03457	0.5
59.01388	46.7
68.08385	0.5
69.03448	0.5
71.01383	7.1
72.99312	0.7
73.02950	2.9
80.25723	0.5
81.03465	2.2
83.01389	1.3
85.02955	10.0
89.02452	1.0
93.03467	0.8
95.01370	4.0
101.02434	4.7
103.00386	0.6
108.02177	79.0
109.02956	59.3
111.00893	0.9
113.02475	4.4
121.02960	2.5
123.00874	3.8
123.04476	0.6
125.02456	0.8
134.03737	2.8
135.00940	0.6
135.11813	2.2
151.04034	0.8
152.01163	100.0
153.01953	27.7
155.58125	0.6
161.04506	1.3
163.04012	1.1
165.01917	1.0
166.26730	0.6
167.03595	0.6
179.10828	2.4
197.04625	0.9
271.13342	1.1
271.33917	0.5
279.08780	0.6
315.07275	5.0
415.35947	0.6
422.12024	0.8
447.78931	0.6
477.17715	67.8
478.18076	2.9
521.16693	21.8
539.17810	4.1
581.18823	52.6
582.19012	2.6
625.28790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.4
71.01375	1.8
72.00903	3.4
74.02427	1.7
82.02983	2.0
82.49641	1.5
84.04549	1.9
91.05534	2.2
100.50430	1.4
109.04126	1.9
112.04026	2.0
121.02945	8.0
127.05145	14.7
128.03534	55.3
129.10324	8.8
147.04517	11.8
164.07196	24.0
164.47716	1.5
173.68732	1.6
179.18854	1.5
183.01801	8.6
183.99284	59.9
192.08257	1.9
192.99309	45.0
198.97989	3.4
201.12521	1.7
208.98814	1.7
222.12494	15.7
223.10805	2.4
223.12827	2.5
238.99883	42.3
240.13564	8.6
241.13826	2.3
257.09253	2.6
258.14734	2.1
275.10373	6.0
279.02991	2.0
279.91443	1.8
287.07785	3.4
293.11426	17.8
294.04147	2.1
295.02344	11.0
305.08188	2.3
313.05707	2.4
315.09787	2.1
330.16791	28.0
331.06915	56.5
331.17017	19.9
344.77078	1.5
349.07132	13.4
369.44952	1.6
393.06070	2.2
398.10406	5.7
442.09079	3.0
460.10464	20.0
496.14178	15.7
563.18341	6.6
581.19281	1.9
589.16724	2.1
607.17242	16.1
625.18384	100.0
626.18152	2.3
636.42267	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	625.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96799	0.3
57.03423	0.6
59.01366	0.4
70.29182	0.4
71.01381	1.5
72.00896	0.6
73.02935	0.6
74.02457	0.5
84.04539	0.7
85.02929	3.8
87.58952	0.4
93.03410	1.2
95.01347	0.6
101.02416	0.8
101.07214	0.4
108.02155	50.8
109.02955	14.9
109.04098	1.9
110.85931	0.4
119.05007	4.2
121.02961	0.8
123.00884	0.6
123.04499	0.7
123.05618	0.5
123.88281	0.4
127.05119	7.9
128.03523	32.6
129.01994	0.6
132.83612	0.4
141.06705	0.4
144.38399	0.4
151.02611	100.0
152.01147	40.9
152.02972	0.7
153.01938	14.0
163.03987	4.6
165.01909	0.5
167.03458	1.3
167.04614	4.5
180.06650	17.5
185.05646	0.4
191.01807	0.5
247.10867	0.8
283.06836	40.2
284.07251	0.8
291.09918	5.9
309.10941	23.0
314.27197	0.4
315.07248	47.7
316.07550	0.6
355.06555	0.5
597.54553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66786	0.1
55.47478	0.1
59.01379	0.9
68.43856	0.1
70.28941	0.1
71.01384	17.4
71.55649	0.1
72.86816	0.1
85.02937	0.2
115.00370	8.6
121.02953	100.0
122.03292	0.2
155.23502	0.1
229.14485	0.1
237.04060	11.9
243.85930	0.1
372.86029	0.1
387.16721	1.3
390.51755	0.1
537.19470	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	625.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85046	0.1
53.75865	0.1
55.35856	0.1
58.61249	0.1
59.01375	0.7
64.23441	0.1
71.01382	18.2
74.73563	0.1
77.03962	0.2
89.02447	0.2
93.03471	0.1
99.08165	0.2
115.00367	8.6
121.02951	100.0
122.03300	0.5
123.30750	0.1
127.07622	0.7
129.05600	1.4
145.08752	0.1
151.03989	0.1
171.06578	0.1
189.07709	2.1
197.16203	0.1
237.04068	11.5
248.58992	0.1
317.13303	0.1
387.16498	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	625.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12649	0.1
57.03468	0.1
59.01371	0.3
61.91558	0.1
67.66562	0.1
70.04034	0.1
71.01382	17.6
72.25603	0.1
80.96468	0.2
85.02951	0.6
90.55322	0.1
95.25746	0.1
96.00910	0.2
103.97111	0.1
104.69660	0.1
115.00372	10.2
121.02951	100.0
122.03298	0.7
187.14822	0.2
193.13518	0.2
197.04640	0.3
228.17178	0.3
237.04065	13.5
242.01762	0.2
266.50562	0.1
271.02499	0.5
300.02731	0.6
313.18860	0.2
369.21567	0.2
467.54575	0.2
581.29279	1.0
625.14301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03070	0.7
57.03197	1.0
57.03458	23.6
59.01384	6.6
61.03959	0.8
61.55452	0.7
67.76170	0.7
73.02926	1.1
78.00790	0.7
81.03423	1.1
92.12329	1.0
99.04505	14.5
101.02448	5.8
123.04524	0.8
125.02452	13.8
138.18733	0.9
154.11038	0.8
155.09283	0.9
157.23404	0.8
160.90582	0.8
288.78674	0.9
305.08737	1.6
319.22809	100.0
320.22992	2.8
333.24362	4.4
496.54416	0.8
527.96289	1.0
625.32642	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	626.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.4
60.99767	0.6
71.01356	6.0
82.02969	4.1
85.02955	1.2
85.04065	38.4
86.02495	1.4
87.05625	10.2
88.04026	7.1
92.12441	1.5
99.46603	0.7
102.00191	5.7
109.04053	1.4
113.03611	1.0
119.02844	4.5
125.03619	0.8
127.05138	10.8
128.03526	70.7
132.52930	0.7
135.05632	6.8
144.80728	0.7
145.06210	2.8
152.08330	6.3
153.06685	3.2
153.73560	0.7
157.06175	53.1
159.07787	1.4
166.06250	4.8
167.04550	1.0
174.02307	12.0
178.06203	3.7
179.04555	6.4
184.04942	0.8
184.07280	3.4
191.04985	3.4
196.07280	11.8
197.05731	1.0
214.08461	1.3
224.10457	3.2
248.07069	1.4
268.09409	4.5
286.10416	12.2
302.08267	1.4
320.09219	100.0
321.09729	1.4
350.52036	0.8
485.12988	0.8
586.16077	0.9
586.75854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.9
70.43667	0.1
71.01382	17.8
73.02944	0.2
73.42119	0.1
77.03936	0.1
77.29032	0.1
77.62104	0.1
85.02932	0.2
86.15221	0.1
90.67987	0.1
115.00359	8.5
121.02943	100.0
122.03281	1.1
151.87651	0.1
194.60486	0.1
237.04060	11.7
379.17413	0.1
389.18301	0.9
421.18539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26688	0.1
77.64320	0.1
83.43456	0.1
112.55032	0.1
154.27390	0.1
167.94254	0.1
217.78296	0.1
241.00291	0.1
251.23769	0.1
262.42838	0.1
269.24878	100.0
270.25204	2.4
527.53400	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	629.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	5.4
57.03200	1.0
57.03458	27.6
59.01376	4.1
65.00336	0.7
71.01368	1.3
72.99259	0.6
73.02926	1.0
73.44676	0.5
80.14644	0.6
83.00935	0.6
83.01390	14.2
84.02143	0.7
85.02951	100.0
87.00874	0.7
91.01890	6.8
93.03452	43.2
95.01392	1.0
96.96009	2.4
108.02181	14.0
111.00153	1.2
111.00883	29.0
114.38920	0.7
121.02885	4.3
123.00875	1.5
123.04527	27.5
124.01670	1.1
129.01942	57.9
131.04973	0.9
133.06602	0.6
134.03731	0.7
136.01665	2.3
137.02452	26.4
147.03014	4.9
147.04503	1.4
149.06096	3.4
152.01166	26.7
154.99896	1.5
159.04488	1.1
161.06046	0.6
165.60327	0.6
167.03505	63.2
173.00906	4.9
177.05560	20.9
191.02017	1.0
192.04280	2.4
193.04893	0.7
197.04646	1.0
205.05109	12.3
207.06618	3.2
235.06111	14.2
237.65765	0.7
249.04028	6.5
252.51401	0.8
267.05154	0.9
269.04483	1.4
279.05069	1.3
293.03006	2.6
297.06204	5.6
311.04065	0.8
323.04202	2.6
341.05115	9.2
359.06238	2.7
375.24362	0.8
509.09366	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	629.248
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	53.4
83.72291	1.1
96.96953	18.2
104.16457	1.3
116.92836	1.9
152.99596	64.4
161.87054	1.2
169.68443	1.6
176.15109	1.2
183.01140	5.0
222.99971	1.9
223.68552	1.3
234.37093	1.2
241.01193	34.2
247.20520	1.3
255.23314	93.2
256.23642	2.0
278.50848	1.4
278.54871	1.5
301.41699	1.4
311.16907	6.2
312.17197	7.0
313.16757	1.8
315.04865	11.4
513.31201	1.5
571.28925	100.0
572.29321	5.2
612.81122	1.4
629.25214	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	629.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	30.0
67.38869	2.2
68.63348	2.2
71.01388	4.4
76.57983	2.1
85.02933	9.5
104.32388	2.3
113.02449	3.5
113.68067	2.1
118.69630	2.4
122.06108	8.8
125.02479	3.7
135.06862	2.7
136.07660	14.2
157.92212	2.5
184.37100	2.2
198.09129	2.9
214.12366	18.2
228.08879	2.6
229.09787	4.9
241.09859	13.1
242.10527	21.6
257.12961	100.0
301.11957	80.6
312.68106	2.3
484.46194	2.5
612.29205	2.7
629.27094	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	630.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36133	0.3
61.59550	0.3
78.95895	11.9
105.64256	0.4
113.53738	0.4
122.00153	0.8
125.09649	0.5
127.11285	1.5
140.01193	6.0
170.39374	0.4
171.10269	47.4
179.88963	0.4
196.03813	2.8
239.61253	0.4
239.63600	0.4
279.23306	100.0
368.14841	2.6
476.28036	0.6
497.16602	0.4
630.37872	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	630.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28286	0.4
76.53992	0.4
78.95900	13.7
81.83219	0.5
87.84357	0.4
122.00133	0.9
125.09688	0.8
127.11252	2.4
130.47447	0.5
140.01166	5.8
153.09259	0.5
171.10271	100.0
172.10538	0.9
196.03802	3.1
205.42706	0.5
279.23300	36.6
280.23663	0.8
324.74176	0.5
476.28015	4.2
630.37897	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	631.2783
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
51.64577	3.0
53.71171	2.7
54.82649	2.6
55.48957	3.0
57.03435	4.6
58.85531	2.7
59.01372	12.8
60.52956	2.8
61.83568	2.3
65.52106	2.7
66.07015	2.8
67.40766	3.0
79.04665	2.9
80.68459	3.2
82.27790	3.1
91.01665	3.0
92.11658	7.4
92.49266	3.0
94.06590	6.1
101.02440	3.7
108.11439	3.0
108.46420	3.4
110.06093	15.7
111.00848	3.8
118.87691	3.3
122.06103	15.1
127.92403	3.5
136.07617	5.1
157.54335	3.3
171.51213	3.4
174.05661	22.6
203.05835	5.8
239.11902	3.5
241.13394	7.4
243.15015	6.9
261.11642	3.7
267.11435	28.9
287.14047	15.3
312.11014	5.7
372.17307	5.1
400.16678	14.3
414.18152	7.9
415.19162	6.5
436.20309	3.5
518.84161	3.5
519.76044	4.1
555.25964	18.3
557.24463	13.2
599.25311	16.9
631.27917	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	631.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82883	1.4
59.01375	3.1
71.36790	1.4
77.80866	1.5
92.11763	1.8
94.06610	2.5
105.05817	1.4
107.03757	3.3
110.06100	15.8
120.08179	65.4
121.05362	3.4
122.06110	100.0
123.06435	1.7
131.56015	1.7
134.06125	2.7
136.07713	2.0
137.04828	1.7
144.04506	10.7
146.06125	1.7
160.04034	2.2
164.07080	2.9
174.05568	11.1
199.08801	1.7
200.07211	2.3
203.05896	11.0
204.06514	2.6
215.11864	2.6
223.08806	2.4
224.78120	1.6
225.13957	1.8
236.09492	12.7
237.10321	10.6
239.11919	2.4
249.10236	3.3
249.13928	3.4
250.11171	5.9
251.11887	50.6
252.12505	7.1
253.09808	1.7
263.08258	12.2
263.11880	11.6
264.09012	13.5
264.12772	1.7
265.09875	3.1
265.13480	11.8
266.10507	2.5
268.08530	2.9
268.76855	1.5
269.09247	1.5
276.09097	14.4
277.09833	52.2
278.10593	22.9
279.11218	11.8
282.10077	3.2
283.10825	2.7
285.12317	1.9
287.13824	1.7
291.11371	51.8
291.14630	2.3
292.12198	65.3
293.09985	2.0
293.12933	54.6
294.13370	2.3
295.10870	2.2
296.11588	2.6
310.09579	2.8
319.10873	3.1
324.11279	15.1
325.11963	3.5
335.10461	15.6
336.11234	20.5
337.11963	13.9
358.15628	3.4
360.17191	6.6
361.17676	1.9
372.17270	18.2
373.17804	2.6
374.18869	6.8
386.14801	2.9
390.18353	6.9
399.15918	2.1
400.16711	5.6
402.18564	3.5
403.18750	1.9
405.16873	2.4
406.17868	2.3
414.18219	20.9
415.19000	6.2
418.17804	11.4
432.19345	12.5
433.19815	1.9
436.18930	2.2
458.17429	3.4
459.18045	11.1
476.18326	30.1
477.18851	16.4
478.19672	6.2
490.19763	12.0
495.24048	3.1
508.20950	75.6
509.21243	5.9
525.25262	2.7
537.25269	19.7
555.26221	21.7
569.24103	2.6
581.24121	14.8
599.25220	92.9
600.25543	6.3
601.26965	2.3
613.26923	14.1
631.27863	63.4
632.27899	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	631.3861
Annotation	LMPR0106150003
Peak:m/z	Relative Intensity
55.01885	2.8
57.03454	7.5
59.01157	0.2
59.01385	3.5
59.19767	0.2
64.26698	0.2
67.01864	0.3
68.99799	0.9
69.03426	0.4
71.00992	0.3
71.01382	7.0
71.58826	0.2
72.99302	3.6
73.02930	1.1
75.00870	31.4
83.01382	1.8
84.02153	0.9
85.02947	37.4
86.03283	0.2
87.00883	3.4
89.02426	1.0
92.12387	1.0
95.01380	2.6
97.92655	0.2
99.00871	3.4
103.00420	0.3
103.40078	0.2
110.37289	0.2
111.00859	0.4
112.01644	0.9
113.02445	22.7
115.00350	1.1
116.01145	3.6
117.01947	0.4
129.01964	0.8
150.35075	0.2
157.01454	1.7
175.02513	1.4
183.69006	0.2
311.55389	0.2
391.30200	3.7
407.33273	3.9
435.32687	1.1
455.35422	1.1
499.34634	0.2
631.38605	100.0
632.28619	0.4
632.38965	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	631.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95904	0.2
55.31249	0.1
59.01384	1.0
69.85224	0.2
71.01363	0.2
78.95937	0.2
81.85378	0.1
87.17015	0.2
171.10263	0.2
176.82651	0.1
181.34698	0.2
194.51752	0.1
227.94170	0.2
233.22812	0.2
259.20657	0.8
275.20163	0.7
277.21735	100.0
278.22125	1.1
281.24716	0.3
497.43906	0.2
569.52692	0.2
575.43719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.0
59.01386	25.8
64.34495	0.6
69.81371	0.7
71.01378	11.1
73.02946	11.5
76.57571	0.8
83.01371	2.6
85.02940	2.9
87.00928	0.7
89.02448	1.1
97.02924	0.8
99.00865	0.9
99.04505	0.9
101.02434	9.6
109.02921	3.2
111.04510	2.6
113.02446	3.2
114.62891	0.6
119.03442	0.7
120.08151	3.5
121.02948	100.0
122.06103	3.1
124.67081	0.7
189.12859	4.9
198.72690	0.8
200.94342	0.8
201.12872	1.5
215.10837	1.2
219.13948	1.1
251.11864	3.0
252.12186	0.6
278.10388	0.7
292.12329	0.8
293.12772	2.9
318.23984	0.7
337.11847	0.8
467.19357	7.4
489.27292	1.4
531.28210	0.8
547.21930	1.3
589.22968	64.9
590.23242	1.2
600.25256	0.8
601.26630	4.3
602.79840	0.8
603.29034	0.8
615.27466	0.8
626.85931	0.6
633.29224	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	633.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77077	0.5
51.95014	0.6
53.31744	0.6
57.03438	0.8
57.30978	0.5
59.01118	0.7
59.01392	13.3
59.97291	0.6
63.76863	0.6
65.52360	0.6
66.55981	0.6
71.01373	4.6
73.02940	0.9
73.17694	0.6
75.00883	0.9
79.63123	0.6
80.12457	0.6
85.02962	1.5
85.94044	0.6
89.02456	0.9
99.00859	1.1
101.02446	2.4
107.05120	0.7
109.02955	0.9
111.04513	4.6
113.02436	1.7
116.53188	0.7
121.02953	100.0
122.03236	0.9
124.58858	0.8
153.05579	0.9
171.11705	1.2
230.25676	0.8
231.26088	0.6
233.11943	1.1
263.12906	3.3
267.53867	0.7
295.53036	0.7
313.13678	0.7
320.09021	1.0
385.16553	27.0
386.16965	0.9
421.79761	0.8
489.27194	1.3
633.30505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.7
57.03459	100.0
58.00615	0.5
59.01387	64.2
71.01382	13.7
72.99311	1.7
73.02943	2.5
75.00865	15.7
81.03444	3.0
83.01390	1.7
85.02946	19.0
87.00877	2.2
89.02436	13.1
89.02953	0.6
89.89670	0.4
92.12379	2.2
95.01371	1.9
97.02905	0.5
99.00872	1.9
99.04504	61.6
101.02433	18.8
101.03072	0.9
113.02436	16.5
115.00327	0.5
116.01157	1.6
119.03500	4.8
125.02424	33.6
129.01964	0.6
131.03459	0.7
143.03535	3.4
149.04590	0.7
157.01427	0.5
161.04526	4.1
179.05611	5.4
225.09326	0.4
267.81638	0.4
378.35474	0.4
400.95697	0.5
442.26413	0.5
471.33167	5.7
489.34360	12.6
531.35461	2.8
544.24091	0.5
633.39996	53.4
655.85248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	100.0
59.01386	72.2
71.01085	0.8
71.01385	14.0
73.02958	2.3
75.41696	0.9
78.95909	1.9
81.03451	1.9
83.01424	1.1
84.50952	1.0
85.02958	5.4
89.02443	15.9
92.64776	1.0
95.01376	1.5
95.17294	0.9
99.04511	64.4
101.02439	21.5
113.02460	7.3
119.03490	5.2
122.06065	1.2
125.02433	32.7
138.09251	1.4
143.03484	1.9
155.53595	1.1
161.04602	2.6
174.05594	1.2
179.05612	1.9
243.15149	1.3
245.16650	1.8
289.15643	2.0
471.33304	13.7
489.34399	29.9
531.35492	6.7
557.27448	2.1
615.87244	1.4
633.29333	13.4
633.38818	7.6
634.29089	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	100.0
59.01114	2.7
59.01394	67.9
59.01690	2.7
61.98837	1.7
68.55801	1.1
70.77866	1.1
71.01374	9.2
73.02943	1.7
81.03439	2.1
83.01392	1.8
85.02953	6.0
89.02406	1.9
99.04515	60.0
101.02428	20.8
113.02431	2.9
125.02433	41.5
143.03491	2.6
161.04530	2.0
213.18697	1.7
375.23456	1.4
471.33252	22.4
489.34412	34.2
531.34998	1.9
633.39478	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	633.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14524	1.9
57.03190	3.9
57.03463	100.0
59.01392	75.6
61.97516	1.8
64.03454	2.0
71.01385	15.4
72.35870	2.0
78.16164	2.2
85.02976	3.3
89.02444	15.6
99.04525	73.9
101.02457	24.3
113.02411	17.4
119.03535	3.3
125.02435	45.1
143.03418	3.0
179.05690	5.2
201.47835	2.4
262.46631	2.3
446.79797	2.7
477.91351	2.6
489.34448	9.4
508.55795	2.8
531.34637	3.2
589.96265	3.0
633.39392	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	633.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	20.7
59.01388	9.6
60.56538	0.4
69.03468	0.5
69.64069	0.4
71.01382	7.8
72.99268	0.5
73.02939	3.2
73.28386	0.6
75.00862	0.5
78.95873	0.9
81.03439	0.7
82.81010	0.4
83.01383	0.9
85.02955	3.9
87.00880	0.7
95.01372	1.0
99.00913	0.6
99.04521	2.3
101.02442	5.4
113.02467	2.2
114.05602	2.8
114.93394	2.8
125.02439	2.1
182.10870	0.6
220.82683	0.6
279.23251	1.0
281.28558	2.6
323.62039	0.5
325.01724	0.5
327.29071	20.9
341.30688	0.5
369.30014	0.7
471.33246	12.5
489.34393	100.0
490.34723	1.2
531.35388	23.6
571.39124	1.0
633.38672	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	633.402
Annotation	UNII-3TG3M7GRP4
Peak:m/z	Relative Intensity
55.01897	2.0
55.02101	0.2
57.03192	0.3
57.03458	8.4
59.01384	4.5
61.13892	0.2
68.99807	0.3
71.01385	6.0
72.99323	3.1
73.02916	0.4
73.41809	0.2
75.00877	29.0
76.57349	0.2
83.01395	1.3
83.37327	0.3
84.02173	0.5
85.02960	32.7
87.00878	2.8
95.01392	2.4
99.00879	2.6
101.02425	0.4
112.01674	1.1
113.02452	20.3
115.00353	1.3
116.01162	3.0
117.01922	1.2
127.95438	0.3
129.01903	0.6
139.20068	0.2
157.01457	2.3
160.42111	0.3
175.02475	1.3
187.37500	0.3
212.20462	0.2
391.30176	0.5
437.34515	0.5
457.36847	0.6
633.40173	100.0
634.40387	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	633.4015
Annotation	UNII-3TG3M7GRP4
Peak:m/z	Relative Intensity
52.28259	0.3
55.01891	2.4
55.42348	0.2
57.03194	0.4
57.03458	9.2
59.01384	3.7
67.01891	0.7
67.06537	0.3
71.01380	6.1
71.48847	0.3
72.99299	3.2
73.02949	0.5
74.55463	0.3
75.00871	29.2
83.01382	1.4
85.02948	35.9
87.00859	3.0
89.02448	0.5
92.11581	0.6
93.59645	0.3
95.01394	3.0
99.00879	2.8
99.04519	0.5
101.02408	0.4
112.01662	0.8
113.02448	21.2
114.02760	0.4
115.00360	1.6
116.01153	2.8
117.01913	0.6
129.01945	0.8
135.41840	0.3
157.01416	2.1
159.18961	0.4
175.02487	0.6
182.92741	0.3
391.29926	0.4
402.01416	0.4
405.05130	0.4
434.56668	0.3
437.34241	0.5
457.36996	0.4
514.40717	0.3
633.40198	100.0
634.40509	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	633.4027
Annotation	UNII-3TG3M7GRP4
Peak:m/z	Relative Intensity
54.82154	2.2
57.03445	9.2
59.01378	11.6
59.85081	1.3
60.63374	1.5
61.97620	1.6
62.11814	1.6
71.01382	12.4
75.00867	24.2
76.70004	1.6
78.95908	3.0
85.02938	25.5
87.00884	2.4
99.00875	1.7
99.04486	2.2
113.02469	18.6
127.86961	1.7
142.47978	1.6
543.93610	1.8
633.40265	100.0
634.40350	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	634.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03270	0.2
56.06191	0.2
59.01398	0.9
59.27333	0.2
59.46421	0.2
61.98840	0.3
63.51612	0.2
69.14751	0.2
73.02939	0.7
78.95902	0.7
86.61458	0.2
87.18706	0.3
99.00871	0.2
99.92586	6.5
103.31989	0.2
105.90691	0.2
114.93438	0.3
116.92860	100.0
116.97247	3.4
117.01951	1.2
117.92858	0.4
120.08389	0.2
166.28581	0.2
195.22223	0.2
277.21603	0.4
284.66748	0.2
502.29620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	2.0
62.96390	1.9
71.67305	1.5
77.35075	1.6
78.95901	100.0
79.40573	1.4
91.89671	1.7
97.64574	1.6
111.60483	1.5
136.93224	42.7
145.93265	9.0
151.91933	2.4
152.92693	2.8
155.34842	1.5
161.92744	1.8
163.94327	3.1
177.95871	18.2
178.94281	51.3
183.40627	1.8
190.94273	5.9
193.95331	13.6
194.93779	18.3
196.95357	10.9
208.95372	5.7
212.94827	2.6
297.15323	3.5
395.94711	1.6
422.17688	6.4
425.07852	1.7
438.17450	20.7
440.18939	31.6
458.19864	23.3
500.21017	12.3
502.18811	7.0
514.22614	83.6
574.24615	62.3
634.39636	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	635.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56825	0.2
53.70566	0.2
54.53778	0.2
59.01385	34.7
61.41970	0.3
64.38476	0.3
75.06770	0.3
79.95747	0.7
96.95997	86.5
97.06621	0.9
100.60299	0.4
124.61825	0.3
135.08134	0.5
147.08182	1.9
151.11298	0.3
154.62575	0.3
165.09210	1.1
200.89058	0.3
216.83488	0.3
217.78641	0.3
225.11339	31.1
226.11742	1.2
305.07037	100.0
306.07318	3.9
563.73877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44953	0.6
54.32289	0.5
54.81189	0.5
59.01371	3.5
65.23440	0.5
66.49695	0.5
76.56962	0.6
78.95907	100.0
96.96929	3.5
99.00864	0.9
102.73120	0.6
137.22502	0.6
152.99600	22.2
181.12285	2.6
199.13313	0.9
207.10246	3.6
225.11308	6.2
243.12372	1.5
255.23312	36.4
329.92358	0.7
339.20090	0.7
339.97202	0.6
379.11575	2.7
391.22388	3.3
404.87033	0.6
409.23544	1.1
545.44318	0.7
545.53967	0.6
635.25073	1.4
635.35681	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95510	1.9
54.27606	1.7
57.03454	100.0
58.38192	1.7
59.01112	3.5
59.01387	68.0
60.23485	1.9
71.01369	13.8
73.02938	3.5
75.41032	1.8
78.95892	2.2
83.01405	3.8
85.02942	7.4
99.04509	57.7
100.23312	2.4
101.02431	21.1
109.75694	2.2
113.02462	2.4
119.17816	1.9
124.10543	1.9
125.02432	37.5
205.98213	2.1
403.47681	2.6
471.96579	2.0
473.34674	26.1
491.35873	42.2
533.36938	3.1
555.02820	2.6
635.40045	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	635.4169
Annotation	11-Oxomogroside IA1
Peak:m/z	Relative Intensity
50.93929	0.4
55.01881	2.8
57.03453	8.2
59.01389	5.6
67.01896	0.8
68.99808	0.6
71.01377	4.9
72.99301	3.0
73.02924	0.7
75.00867	32.2
83.01373	3.2
83.24486	0.4
85.02943	29.3
87.00874	2.1
95.01377	2.7
97.02916	0.5
99.00867	2.4
101.02472	0.5
112.01657	1.8
113.02438	12.5
115.00348	0.7
117.01947	0.9
118.63447	0.4
129.01913	0.6
159.74696	0.4
296.33698	0.5
457.37177	1.0
591.37360	2.5
635.41730	100.0
636.41870	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	635.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90115	0.5
52.22500	0.4
54.18043	0.4
59.01376	2.5
63.67204	0.4
73.59776	0.5
78.95903	0.7
91.55822	0.5
123.67813	0.5
147.96051	0.5
279.23294	100.0
299.60486	0.5
303.23190	3.5
304.23630	5.8
305.24704	2.3
417.23679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70955	0.1
58.57826	0.1
59.01392	0.2
62.31892	0.1
62.32216	0.1
67.25414	0.1
73.02943	0.4
73.27325	0.1
75.06829	0.1
77.48907	0.1
78.95906	0.2
83.80124	0.1
84.07790	0.2
85.87554	0.1
86.86655	0.1
99.92582	5.9
106.81300	0.1
114.93421	0.3
116.07211	0.2
116.92856	100.0
116.97237	2.0
117.01952	1.2
117.92867	1.8
152.99655	0.2
155.95061	0.2
183.01263	0.3
195.25468	0.2
279.23361	0.7
311.17032	0.7
330.77032	0.2
391.04785	0.2
416.36795	0.2
552.03668	0.2
591.84607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.2
62.84146	0.1
72.58194	0.2
73.02932	0.5
76.18048	0.2
92.65728	0.2
99.92581	5.8
100.92619	0.3
100.95719	0.2
114.93430	0.2
116.92865	100.0
117.01962	1.4
117.05566	0.2
117.92859	2.5
124.11900	0.2
279.23364	0.9
338.82819	0.2
482.66669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
78.95909	2.2
85.02972	0.3
89.14205	0.4
99.00883	2.0
104.74033	0.4
110.54072	0.5
114.93444	0.5
141.01712	43.2
174.12764	0.5
174.14339	0.4
203.67690	0.4
237.75391	0.4
255.23314	4.3
388.86475	0.4
399.22748	0.4
480.30804	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66436	0.9
59.01389	100.0
61.98847	1.0
73.37102	1.2
74.20992	0.9
78.95911	4.0
81.98810	1.2
92.66167	1.0
116.92846	6.8
136.01262	1.1
141.01715	42.4
152.13470	1.0
157.06326	1.2
229.96892	1.0
255.23346	4.6
480.30563	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01324	0.6
55.01884	4.7
57.03460	16.5
59.01387	7.8
59.12309	0.7
62.01548	0.7
64.21077	0.6
65.00330	1.1
68.99796	0.8
69.03459	0.7
71.01383	3.6
71.05009	1.0
72.99325	1.0
73.02917	0.8
81.03473	7.3
83.01400	15.3
84.02181	4.1
85.02960	100.0
89.00324	0.8
97.02939	1.3
99.04520	10.3
106.00605	0.9
109.02948	0.9
111.00137	1.5
111.00878	23.4
121.02949	37.0
123.00871	7.4
124.40979	0.8
125.02409	1.9
127.00399	1.7
127.03994	20.7
129.01945	23.9
135.04520	1.2
136.98753	2.9
137.02449	4.3
138.03229	8.8
139.00360	8.0
139.04018	0.9
147.02997	4.8
147.04527	4.2
149.02446	47.3
152.01108	1.5
153.01949	1.0
153.05582	23.9
154.60847	0.8
154.99940	0.9
155.03511	1.1
161.35930	0.8
163.04109	1.6
164.04784	27.1
165.01926	1.0
166.02788	1.0
166.99873	3.6
171.02940	7.7
173.00941	1.3
175.00374	4.0
179.03513	1.2
179.07129	4.0
182.02219	10.5
189.04083	1.2
190.02786	11.9
193.01456	1.7
194.05852	1.0
196.03749	1.5
197.04568	38.8
205.05090	15.0
207.03067	1.6
208.03746	11.3
215.02014	2.9
222.05327	5.8
223.06137	44.5
237.07654	5.5
240.04361	2.9
250.04903	1.1
257.18524	0.9
261.95413	0.8
263.09195	1.1
265.07214	17.9
268.03833	7.1
283.06064	7.4
291.08774	4.5
327.07278	4.5
327.57516	0.7
353.05273	1.0
369.08139	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.3
55.01888	8.1
55.72124	0.3
57.03458	19.2
59.01386	18.5
59.01688	0.5
60.99290	0.4
61.98824	0.6
67.01897	2.0
68.99800	0.6
71.01391	3.4
72.99299	0.9
73.02941	0.8
75.00870	0.5
81.03441	3.3
82.95415	15.3
83.01382	24.0
84.01733	0.4
84.02174	1.9
85.02948	100.0
88.98807	4.6
89.00305	0.6
93.03460	0.8
95.01376	0.5
96.96019	0.7
99.00871	0.6
99.04518	4.5
101.02447	1.6
102.12525	0.4
104.75696	0.4
106.00582	0.7
109.02980	0.5
111.00878	58.2
112.01211	0.5
119.05019	0.4
121.02944	25.6
123.00897	4.1
125.02459	0.7
127.00359	3.1
127.04021	6.6
129.01935	31.1
134.03706	0.4
135.04532	1.9
136.98839	0.8
137.02414	3.9
138.03206	4.8
139.00378	8.6
139.04050	0.6
147.02992	3.3
147.04492	0.9
149.02438	22.8
151.00392	0.5
151.04059	0.5
152.01193	1.7
153.01909	1.4
153.05576	15.9
154.02745	0.4
154.99896	3.9
161.02448	0.8
163.04034	2.8
164.04790	11.4
166.02797	0.5
166.99870	3.0
167.03487	1.6
169.05173	0.5
171.03015	1.8
173.00911	5.5
175.00397	0.9
177.01855	0.4
178.02739	0.7
179.03513	2.7
179.07188	1.7
181.01416	0.7
181.05052	0.4
182.02213	9.1
189.02014	0.7
189.04053	1.9
190.02753	3.1
191.01985	3.5
191.03535	1.4
193.01407	3.9
193.05031	0.9
194.02220	0.4
194.05806	0.8
196.03792	2.3
197.04570	29.0
204.04375	0.6
205.05037	3.5
207.03044	2.0
208.03780	6.1
215.02092	0.8
219.06625	1.6
222.05348	4.8
223.06139	17.8
233.03017	14.0
237.04045	0.9
237.07690	9.8
250.05035	0.8
251.03966	3.1
265.07196	13.0
269.04575	5.9
271.57208	0.4
291.05594	1.1
291.08673	1.3
309.06201	5.0
327.07181	4.1
347.33331	0.5
369.08499	0.5
371.06335	3.9
377.83609	0.5
431.08316	5.5
523.35370	0.4
524.10358	0.4
530.38275	0.5
553.19781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08709	0.3
55.01891	4.6
57.03458	16.7
59.01385	8.9
65.67665	0.4
67.01898	0.5
71.01400	4.2
71.05009	0.5
72.99287	0.4
73.02940	0.5
81.03455	6.3
83.01395	8.7
84.02158	4.3
85.02951	100.0
86.03288	0.6
87.00881	1.5
89.00330	0.5
91.01856	0.4
93.03436	0.5
95.01405	0.8
97.02935	0.8
99.00854	0.5
99.04519	8.4
101.02436	0.6
109.02965	0.7
111.00883	17.3
119.05049	0.5
121.02959	20.9
123.00889	4.3
125.02487	1.0
127.00372	1.8
127.04015	16.3
129.01944	15.9
136.98790	0.9
137.02455	2.4
138.03252	5.5
139.00375	6.7
139.04036	0.9
147.03027	5.2
147.04546	0.8
149.01251	0.7
149.02457	20.2
152.01244	0.5
153.01906	1.4
153.05574	14.8
154.02817	0.6
163.04025	0.8
164.04791	14.2
164.06995	0.4
166.02789	0.8
166.99895	1.6
171.03015	6.8
173.00905	3.0
178.02628	0.6
179.03539	0.7
179.07079	0.6
181.05136	0.6
182.02231	6.1
189.02136	0.6
189.04114	2.4
190.02766	2.1
191.00310	0.4
191.01999	3.2
191.03561	0.5
193.01556	1.0
193.05075	0.9
196.03783	1.6
197.02733	0.8
197.04568	25.0
205.05107	2.3
207.03024	1.7
208.03906	1.8
215.02090	1.5
217.01425	0.8
222.05379	4.2
223.06169	18.0
233.03026	13.6
237.07671	4.8
250.04854	0.6
251.04056	0.8
265.07202	16.7
291.08878	0.8
309.06274	1.7
327.07211	5.9
345.58090	0.5
369.08475	2.1
371.06195	5.5
431.08066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28845	0.6
53.05684	0.6
54.24922	0.6
55.01891	7.4
57.03196	1.1
57.03457	22.6
59.01389	12.8
64.77556	0.6
65.00352	0.6
71.01361	2.8
71.04999	1.2
72.99293	1.3
73.02959	0.9
81.03452	10.0
82.50306	0.7
83.01383	23.2
84.02154	3.0
85.02950	100.0
89.00330	1.5
91.01862	1.0
99.04514	10.9
106.00570	1.6
107.76806	0.7
110.62042	0.7
111.00880	51.3
121.02951	48.0
123.00894	7.1
127.00363	1.4
127.04012	16.2
129.01936	27.9
136.98755	0.9
137.02437	3.1
138.03206	8.2
139.00351	7.3
147.03017	5.4
147.04546	0.8
149.02437	25.7
153.05576	24.1
154.99860	1.7
161.02393	0.7
163.03951	1.7
164.04794	18.9
166.02675	0.7
166.99841	4.3
171.03024	7.1
173.00919	3.3
175.00380	1.2
179.07127	1.1
181.01331	0.8
182.02219	16.6
189.04059	3.3
190.02724	1.7
191.01964	1.2
193.01366	4.0
196.03757	1.2
197.04568	54.7
205.05077	3.3
205.49397	0.7
207.03094	1.4
208.03789	6.4
215.02060	1.5
217.01389	0.7
222.05362	3.6
223.04013	0.9
223.06136	23.0
233.02992	9.1
237.04007	0.8
237.07732	6.2
251.04086	1.1
265.07184	13.2
291.08789	1.5
309.06140	1.1
327.07245	3.6
353.05188	1.1
369.08112	0.8
371.06085	4.0
431.08310	3.0
467.66888	0.7
654.52209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08804	0.8
55.01892	12.2
55.42389	0.7
57.03457	22.1
57.24688	0.7
59.01384	10.5
64.95802	0.7
67.01895	1.1
69.03438	1.2
71.01397	1.7
71.05009	3.0
77.18020	0.8
81.03457	20.1
83.01393	24.4
84.02177	4.7
85.02956	76.2
89.00323	4.4
91.01894	1.2
93.03445	1.3
94.64310	0.8
95.01393	1.0
99.04515	24.0
106.00600	5.5
109.02937	1.0
111.00878	38.3
113.68312	0.9
121.02950	86.8
123.00872	13.7
127.00353	1.4
127.04003	25.2
129.01930	31.7
136.98790	3.9
137.02463	1.9
138.03214	12.0
139.00388	6.0
149.02443	39.1
153.05571	44.3
154.02802	1.4
161.32883	0.8
163.03975	1.4
164.04794	20.8
166.99846	13.8
171.02998	12.3
172.80670	1.0
173.00856	1.6
179.03369	1.4
179.07153	3.4
182.02214	34.6
188.34274	0.9
189.04025	0.8
190.02727	3.5
193.01413	5.5
196.03914	1.1
197.04559	100.0
205.05112	3.8
206.97548	1.0
208.03792	9.3
215.01984	3.5
222.05334	1.3
223.06142	40.0
231.22217	0.9
232.80345	1.0
237.07777	3.7
250.04715	1.0
257.37955	0.9
265.07159	15.6
291.08817	1.6
327.07260	3.6
353.05145	3.7
369.08298	1.3
595.33954	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70870	0.4
51.24752	0.4
55.01887	6.5
57.03192	0.8
57.03457	20.1
59.01390	11.8
60.99303	0.5
62.28722	0.4
63.85752	0.4
64.41335	0.4
67.01876	0.8
68.99834	0.8
69.03469	0.8
69.83458	0.4
71.01394	5.2
71.05018	2.4
72.99295	0.9
73.02951	1.1
81.03460	11.9
82.98210	0.5
83.01394	13.8
84.02153	4.5
85.02960	100.0
87.00874	0.8
89.00327	0.9
91.05534	0.7
92.12440	1.2
93.03448	0.9
97.02951	0.8
99.00902	0.5
99.04523	14.4
106.00638	1.2
109.02953	1.8
111.00883	21.8
117.03468	0.6
121.02956	35.2
123.00885	5.0
125.02407	0.9
127.00344	2.1
127.04010	29.9
129.01944	21.7
132.02126	0.5
132.19003	0.6
135.04572	1.0
136.98877	0.6
137.02437	4.1
138.03247	6.9
139.00388	6.9
139.03998	0.6
147.03021	5.3
147.04535	3.4
149.02446	69.3
152.01163	1.2
153.02063	0.5
153.05585	17.9
154.02724	0.8
154.99905	0.7
163.03990	3.7
164.04799	42.4
166.02733	1.1
166.99921	2.6
169.05014	0.6
171.02988	8.2
173.00906	2.0
175.00443	0.9
177.05434	0.5
178.02783	0.6
179.03497	1.0
179.07141	4.8
181.01433	0.7
182.02216	6.5
189.02074	1.0
189.04041	0.8
190.02763	4.6
193.01468	7.5
193.05090	0.7
197.04567	29.8
205.05089	5.3
207.03072	2.4
208.03769	12.7
215.01994	2.1
217.01534	0.8
219.02841	0.5
222.05400	4.7
223.06146	67.8
232.03851	0.8
233.03017	3.8
235.02585	0.6
237.07634	4.2
250.04771	1.0
265.07178	14.2
291.08777	2.1
309.06274	1.1
323.54276	0.5
327.07242	3.8
369.08209	1.0
371.06274	0.9
397.07968	0.6
410.28296	0.5
493.49811	0.6
668.00201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.7
57.03194	0.9
57.03456	21.6
59.01390	9.0
59.06214	0.6
59.22747	0.5
59.92850	0.5
66.96180	0.6
67.01920	0.8
68.99811	1.3
69.83479	0.6
71.01366	4.3
71.05017	1.4
72.99297	1.2
73.02952	0.7
76.58189	0.6
78.38699	0.6
81.03451	11.9
83.01389	14.6
84.02187	5.0
85.02946	100.0
87.00840	1.1
89.00343	2.5
97.02934	0.7
99.04508	12.7
106.00573	1.3
109.02999	0.8
111.00156	1.3
111.00875	27.3
121.02943	45.3
123.00868	7.2
125.02464	0.9
125.99548	0.8
127.00359	3.5
127.04006	21.3
129.01935	25.7
135.04468	1.0
136.98785	1.3
137.02419	4.6
138.03230	9.1
138.99364	0.9
139.00357	9.9
139.03922	1.1
147.02962	3.1
147.04512	3.8
149.02441	44.5
152.01132	1.6
153.02075	0.9
153.05565	27.6
155.03427	0.7
163.03990	1.5
164.04793	27.6
166.02707	0.9
166.99812	3.8
171.02959	8.5
173.00903	2.7
175.00351	5.7
177.01924	0.9
179.03503	1.7
179.07159	3.3
182.02211	10.3
189.01900	1.0
189.04044	2.6
190.02715	16.8
191.03394	1.0
193.01392	4.5
196.03746	1.6
197.04562	50.9
204.04272	0.8
205.05070	17.1
207.02954	1.4
208.03799	7.5
215.01974	3.3
222.05377	4.1
223.03947	1.6
223.06136	49.5
232.03754	1.0
237.07608	5.2
247.09641	1.4
250.04681	1.1
265.07156	17.5
268.03693	1.5
283.06149	1.4
291.08807	6.8
309.06131	1.3
327.07181	4.5
369.08380	1.3
371.06372	0.9
377.68045	0.8
418.68027	1.0
446.37711	0.7
512.56976	0.8
599.06586	0.7
634.75311	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39924	0.1
57.03446	1.1
59.01383	15.4
61.50038	0.1
66.48149	0.1
68.99784	0.1
69.03461	0.1
71.01367	0.5
81.03436	0.5
83.01375	0.7
84.02152	0.2
85.02464	0.2
85.02942	3.7
88.04023	2.8
89.04311	0.1
91.01879	0.3
96.79122	0.1
96.95995	0.4
99.04481	0.6
101.02402	0.1
105.83161	0.1
108.02192	0.1
111.00842	1.1
114.01938	0.1
115.00334	0.6
117.03482	0.1
121.02921	1.0
123.00862	0.1
125.02391	0.2
127.03969	0.8
129.01904	0.8
132.02133	3.8
132.03017	2.6
133.03334	0.3
134.03719	0.1
135.00853	1.1
137.02464	0.2
138.03200	0.2
139.00418	0.1
147.02934	0.1
149.02432	1.1
153.01952	0.8
153.05563	0.8
155.03456	0.2
162.02217	0.2
164.04774	0.7
167.04945	0.1
170.65523	0.1
171.02953	0.2
180.05769	0.2
182.02202	0.2
190.02705	0.4
193.05054	0.2
195.04512	2.7
196.05136	0.4
196.48846	0.1
197.04533	1.5
197.06068	0.1
205.04996	0.5
208.03668	0.2
208.05336	2.3
209.06081	0.3
223.04031	9.3
223.06120	1.4
224.04756	3.8
225.05443	0.5
237.05568	0.2
250.07239	1.4
251.03500	7.3
251.07642	0.7
252.04274	87.2
253.04999	24.0
254.05367	0.8
265.07205	0.5
267.06638	0.4
295.06085	1.8
325.06967	0.2
395.15475	0.1
415.10361	100.0
416.10693	6.1
457.11893	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	637.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73308	0.8
55.01886	2.0
57.03463	20.8
58.00607	1.3
59.01394	65.3
60.91327	0.9
61.96997	1.0
63.41153	1.2
71.01041	1.8
71.01390	34.5
72.99290	2.0
73.02953	28.7
74.12960	1.5
79.05532	1.2
81.03474	4.4
83.01382	12.1
85.02964	22.1
89.02448	19.0
95.01391	1.4
97.02940	2.3
99.00897	1.3
99.04531	11.7
99.23054	1.2
101.02451	29.9
111.00910	4.6
113.02440	9.5
113.06104	2.4
119.03499	8.8
121.02924	7.6
123.04516	7.2
125.02418	1.8
127.03982	2.7
129.01956	5.4
147.71359	1.2
149.02434	7.6
153.05594	5.6
161.04536	1.8
164.04790	5.4
171.02980	1.4
182.02278	2.2
197.04585	11.3
205.05084	1.9
213.09583	1.1
223.06082	10.7
254.58408	1.2
255.39688	1.4
265.07169	2.4
269.15494	20.3
386.65604	1.2
493.20877	100.0
535.21991	49.0
536.22418	1.3
575.24933	11.4
636.80157	1.4
637.15369	2.5
637.25177	50.2
638.25909	2.0
652.09943	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82794	0.5
55.01882	3.4
57.03455	43.6
58.00593	1.5
59.01386	29.5
71.01380	11.3
71.04999	0.7
73.02943	33.0
75.00858	3.0
79.44450	0.6
81.03457	3.5
83.01382	9.3
84.02145	0.7
85.02952	16.8
89.02443	3.2
95.01382	0.9
99.00896	1.4
99.04507	26.7
101.02437	17.7
109.67562	0.7
111.00890	7.5
113.02454	5.5
121.02944	6.8
123.00867	0.8
123.04520	2.8
125.02428	21.9
127.04012	1.5
129.01915	4.9
139.00375	1.2
143.03506	2.7
145.14258	0.8
149.02466	7.9
153.05569	4.9
161.04556	6.3
164.04820	5.1
166.99878	0.9
167.03493	1.5
179.18443	0.7
182.02258	3.8
197.04585	13.8
203.05521	2.4
208.03751	0.9
213.12875	10.2
215.10893	1.0
223.06163	7.2
223.17053	2.9
225.12926	1.5
225.16487	3.7
227.10779	1.1
227.14386	0.8
237.07631	0.9
239.14423	0.8
243.14011	1.1
243.17529	10.3
245.15512	1.3
253.12068	1.1
257.11868	9.9
257.15417	1.0
259.01181	0.8
261.46454	0.8
265.07196	3.0
269.15488	8.4
271.13406	3.7
283.17017	1.6
287.16684	5.2
299.12820	1.5
301.18079	6.5
305.08844	10.6
313.14459	5.8
329.17609	1.0
331.15579	100.0
331.19174	12.4
332.15860	3.1
345.13177	0.9
345.17157	20.0
373.16592	35.8
374.16675	0.9
403.23535	0.9
433.18665	1.2
445.24539	5.7
449.99390	0.7
475.19818	0.9
493.21927	0.9
593.27466	5.4
601.28351	0.8
637.25012	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	637.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	34.3
69.38414	2.5
71.01379	34.8
73.02934	4.3
73.55045	2.7
78.95900	13.0
83.01388	11.3
85.02944	18.5
87.00880	36.6
88.19498	3.2
89.02454	27.3
99.24226	3.5
101.02440	19.5
104.70406	3.5
112.85391	3.1
113.02445	28.0
114.33826	3.3
119.03475	7.2
121.02863	3.2
131.03435	4.2
143.03490	3.3
149.02461	3.6
152.99599	5.6
158.94377	3.2
161.04523	6.6
169.24651	3.6
171.02965	3.7
179.05611	13.5
188.93912	2.9
197.02190	3.3
197.04607	4.2
230.97351	3.6
277.21750	100.0
279.23413	4.4
291.23447	21.7
319.22830	18.1
323.09848	41.3
341.10864	63.2
396.42001	3.6
475.24762	16.2
601.32495	46.6
637.30200	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	9.1
59.01372	51.9
71.01387	54.8
77.41609	6.7
78.95890	17.1
85.02955	9.3
89.02445	72.5
92.66329	7.8
95.39597	6.5
101.02413	13.7
113.02441	17.0
119.03458	13.4
153.92947	7.2
179.05597	12.6
215.03365	9.8
239.16487	13.5
277.21756	100.0
279.23297	9.3
291.22906	9.0
297.44662	7.6
299.72153	7.9
323.09717	29.2
327.21844	10.6
341.11050	81.5
601.32556	63.1
637.30066	51.6
637.43390	15.9
648.69836	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84142	7.0
61.98845	10.1
65.57891	7.4
78.95910	42.0
81.23983	8.4
85.02932	36.8
92.12389	44.4
121.02928	15.6
129.10579	8.8
181.91740	10.8
197.02272	13.3
197.04518	14.2
223.06224	9.9
225.34996	8.9
277.21579	13.9
331.61139	9.9
475.24716	42.4
637.29791	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	637.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87771	1.1
58.82264	1.0
59.01396	0.9
65.20531	0.9
78.95905	18.5
85.02933	1.4
92.12425	2.6
96.96952	1.6
98.54979	0.9
106.66142	1.0
107.44485	1.0
116.92929	1.4
127.11274	1.6
127.39045	1.2
152.99591	11.7
155.08296	1.2
171.00632	1.5
171.10271	100.0
207.26321	1.2
230.83092	1.1
255.23320	34.4
283.26447	25.6
348.21970	1.3
378.10165	1.4
619.15997	1.3
637.37262	35.5
638.37415	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	638.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	40.9
66.85527	0.2
76.48962	0.2
79.95738	1.7
85.02959	0.4
96.96005	96.0
97.06559	0.4
97.76028	0.2
108.95194	0.2
135.08171	0.5
147.04515	0.3
147.08128	1.7
158.33983	0.2
163.11288	0.3
164.07225	1.1
165.09225	1.1
204.82663	0.3
206.08244	1.4
225.11346	30.6
226.11768	0.5
305.07031	100.0
306.07327	2.8
332.94464	0.3
430.95877	0.3
533.83990	0.2
578.04413	0.3
593.54547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14498	0.2
58.02983	18.3
59.01111	0.4
59.01384	9.1
70.02977	7.7
71.01392	2.2
72.00906	4.6
83.01365	0.4
85.02956	1.4
88.04053	0.4
89.02435	1.8
89.82951	0.3
91.05530	10.1
92.65398	0.3
101.02428	1.3
108.23483	0.3
111.10172	0.3
119.03487	0.4
121.02922	1.3
129.01904	0.3
132.03027	0.5
132.26628	0.3
147.04521	31.5
148.04846	0.3
149.02437	0.4
162.09207	1.1
163.11302	0.5
164.07173	89.9
165.07364	0.9
178.57697	0.3
184.33041	0.3
206.08235	100.0
207.08592	1.4
207.10298	1.3
223.05894	0.4
250.07251	1.2
304.20593	0.3
387.16666	17.9
388.16766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	8.6
55.30209	1.6
57.03454	10.8
59.01389	100.0
60.01707	1.9
65.97665	1.4
71.01386	26.6
72.99319	2.7
73.02966	2.1
75.00872	9.2
83.01385	21.4
83.42135	1.5
85.02949	53.1
87.00855	3.6
89.02433	8.0
91.01891	10.9
95.01357	2.2
95.22276	1.8
99.00875	7.8
99.21713	1.7
101.02439	8.3
101.70152	1.6
106.56426	1.8
108.02183	21.2
111.00866	27.2
113.02444	10.2
116.87897	1.7
117.03479	2.7
121.02946	41.1
123.04525	30.3
124.01650	3.7
125.02457	1.8
129.01941	9.0
131.05032	7.1
133.02928	3.1
133.06593	22.5
134.03741	35.4
137.02419	2.1
143.05031	3.6
149.06038	3.8
152.01161	35.4
159.04454	2.6
160.01678	3.6
161.06065	22.6
164.04820	1.6
167.03502	69.8
167.04935	2.9
175.03961	2.8
178.02724	2.7
189.05566	23.1
192.04347	2.6
193.05074	28.2
198.04953	2.2
228.04305	1.8
233.04556	4.0
235.06184	8.9
323.04044	3.0
382.19980	2.2
464.73587	3.4
528.43378	2.0
536.25885	3.9
536.75879	10.4
566.26801	9.9
566.76715	17.0
567.27112	8.0
639.93964	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	16.7
59.01385	12.8
64.34882	0.9
66.54893	0.9
71.01379	6.9
73.02933	5.0
74.33321	0.9
77.02356	1.2
81.33448	0.9
83.01388	1.4
85.02954	4.6
89.02447	6.5
93.10900	1.2
93.67811	0.9
95.12994	1.0
99.04514	10.7
101.02447	7.3
113.02437	2.4
120.84669	1.1
123.04552	1.1
125.02431	4.6
129.01826	1.0
161.03407	1.1
161.04514	9.1
179.05672	1.2
205.80756	1.1
213.12825	1.9
227.14452	24.2
243.17535	4.0
255.13881	18.2
271.17065	100.0
272.17422	1.3
298.10654	1.4
315.15970	6.1
323.09991	4.9
333.20773	1.2
495.22467	9.5
519.04224	1.1
537.23730	4.1
621.25879	1.4
639.26740	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	45.3
60.70522	2.1
61.98838	4.4
71.01372	35.1
73.02949	4.1
83.01369	4.7
85.02933	11.5
87.00863	39.8
89.02437	35.1
101.02416	21.5
113.02438	33.6
119.03464	9.6
131.03558	2.7
143.03471	5.7
161.04527	5.0
176.27637	2.7
179.05632	5.7
254.46008	2.7
255.23282	4.2
266.27762	2.6
279.23270	100.0
280.23645	2.9
293.24771	26.4
321.24292	12.6
323.09845	44.1
341.10916	73.7
351.25400	3.6
470.13382	2.4
477.26126	23.1
478.81027	2.8
545.93756	2.9
603.33887	59.8
604.34552	5.5
639.31653	43.2
647.28009	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	639.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	48.9
60.80170	2.8
65.04750	2.9
69.77389	2.7
71.01391	35.4
83.01406	2.9
85.02961	3.0
89.02441	41.0
101.02439	16.4
113.02465	14.1
119.03513	17.5
143.03473	3.9
161.04530	6.1
174.16519	3.1
179.05609	14.1
193.66124	3.5
202.94807	3.3
205.20609	3.1
215.03352	7.0
279.23297	100.0
323.09970	32.5
327.39633	3.1
341.10971	50.1
535.44824	3.1
560.78986	3.3
603.33997	43.4
639.31549	42.3
640.32172	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	639.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	35.4
61.98841	10.3
71.01380	22.5
83.38769	2.8
85.02975	2.4
87.00854	3.2
89.02453	36.5
92.12378	4.3
94.68807	2.6
100.43175	2.3
101.02438	13.9
113.02460	12.5
114.19147	2.3
119.03493	13.2
134.37976	3.2
134.62939	2.8
143.03545	2.9
145.22028	2.3
161.04581	3.0
172.87851	2.9
179.05614	9.5
201.23201	2.4
202.85458	2.6
279.23267	55.8
280.98941	2.6
295.42966	2.7
323.09924	20.5
341.10931	100.0
341.15042	4.2
603.33997	12.2
639.31653	43.8
647.87012	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	639.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23343	4.4
59.01385	19.3
67.07711	4.0
71.01383	7.5
78.95898	23.0
89.02437	20.2
111.98597	3.8
152.99611	8.0
251.77150	4.6
255.23241	19.4
279.23346	23.5
280.23792	7.6
341.06894	4.4
341.10971	36.0
372.99747	4.8
521.53473	5.1
571.29236	9.2
603.34119	5.6
639.31573	100.0
640.30859	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	639.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96236	2.5
59.01381	16.8
61.98835	4.9
69.19497	2.3
71.01354	6.5
84.94570	2.2
89.02465	6.0
94.55177	2.7
101.02475	5.0
133.90051	3.0
150.94025	2.6
157.60553	2.4
161.04544	2.5
197.02275	25.9
208.34003	3.0
211.55591	2.5
218.93007	2.4
219.88029	2.8
277.21753	18.4
279.23309	14.2
341.10995	17.2
454.93674	3.6
477.26276	51.3
535.87091	3.2
539.42841	2.9
587.54095	2.8
639.31549	100.0
640.32104	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	639.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
55.62036	0.7
57.03455	1.0
58.00585	1.3
59.01384	76.1
60.78922	0.8
61.98825	1.2
66.63716	0.7
69.03455	1.1
71.00989	1.3
71.01380	39.9
71.39984	0.8
72.99308	1.6
73.02930	3.7
78.95892	1.6
81.03440	0.9
83.01385	13.2
85.02953	9.8
87.00874	10.5
87.74523	0.8
89.02440	58.6
95.01357	4.6
95.01937	0.9
97.02926	1.2
101.02434	25.4
113.01706	1.5
113.02441	28.2
116.92826	3.9
119.03473	16.9
125.02447	1.1
131.03471	3.3
143.03534	5.8
149.04578	1.0
152.99567	1.8
161.04568	6.8
179.05630	15.5
200.52443	0.8
220.62933	0.8
255.23320	83.9
269.24664	1.5
279.23300	3.6
297.24335	1.1
301.60815	1.0
323.09805	16.4
341.10916	100.0
440.52985	0.9
483.27304	1.6
579.33673	5.4
614.11981	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03451	1.1
58.00592	2.1
59.01389	64.1
69.03445	0.7
71.01384	48.9
72.99292	2.3
73.02930	2.9
75.00862	0.5
78.36461	0.4
78.95899	0.9
83.01389	12.1
85.02953	11.3
87.00868	7.7
89.02441	66.2
90.55645	0.5
92.12410	0.8
92.65958	0.5
95.01388	3.4
97.02930	0.8
99.00886	0.5
99.92570	3.6
100.92560	0.8
101.01776	0.8
101.02438	24.6
113.02451	29.8
115.03989	0.6
116.92857	69.8
116.97243	2.3
117.01879	0.6
117.92874	23.3
118.92641	1.0
119.03492	23.2
125.02379	0.7
131.03482	2.9
143.03502	4.8
149.04527	2.5
161.04564	7.5
179.05620	15.2
255.23322	81.5
256.23663	0.9
269.25000	2.0
281.24945	0.5
297.24475	0.8
323.09842	18.7
334.10873	0.5
341.10916	100.0
342.11334	0.8
420.61557	0.5
579.33923	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	639.361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37320	0.4
55.01885	1.7
57.03446	2.3
58.00602	0.7
58.98086	0.3
59.01390	41.0
61.98795	0.4
69.03451	1.8
71.01389	39.9
72.99303	2.5
73.02958	6.3
75.00872	1.6
78.95889	0.7
83.01395	7.9
85.02962	12.2
87.00883	43.5
89.02451	31.5
93.99986	0.4
95.01394	3.4
97.02929	0.9
99.00857	2.7
101.02444	22.1
111.00885	0.7
113.02452	25.4
115.04027	2.0
116.92876	0.6
119.03482	8.7
125.02425	1.7
129.01918	1.9
131.03500	1.9
141.01961	3.1
143.03493	5.3
146.68225	0.4
149.04549	0.7
161.04561	7.3
179.05630	6.9
213.32504	0.4
239.23775	1.0
251.23987	0.5
255.23322	100.0
256.23642	2.2
267.23355	2.5
269.24896	58.7
270.25232	0.7
279.23325	2.7
297.24365	12.7
309.24384	0.6
313.23764	2.2
323.09860	24.7
327.25247	0.9
341.10925	46.5
357.26395	0.9
359.29907	0.5
362.40015	0.4
399.27704	0.6
458.38483	0.5
579.33942	31.2
580.34222	1.6
644.76404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46716	0.2
51.08831	0.3
51.10955	0.2
51.91546	0.2
55.01876	1.3
55.65905	0.2
57.03454	1.6
57.44662	0.2
58.00603	2.2
59.01389	57.9
62.48917	0.3
63.66684	0.3
66.47889	0.3
69.03459	0.4
69.46604	0.3
71.01383	38.8
72.99306	2.1
73.02936	1.4
75.00860	0.3
78.18813	0.3
78.95897	3.3
83.01405	3.2
85.02955	7.1
87.00881	7.1
89.02443	49.2
95.01389	2.9
97.02974	0.5
99.00900	0.6
101.02439	18.0
111.00888	0.4
113.02449	18.7
116.92838	0.6
119.03497	16.5
119.04348	0.6
125.02480	0.4
131.03506	1.4
143.03493	3.5
149.04579	1.3
152.99620	0.5
161.04555	5.0
179.05627	11.7
255.23326	100.0
256.21240	0.3
256.23465	2.3
264.08560	0.4
269.24878	7.6
279.23318	1.2
297.24384	3.1
323.09888	19.0
327.25366	0.4
341.10928	33.1
342.11328	0.5
399.27219	0.3
433.11777	0.3
575.16193	0.4
579.33966	24.1
580.34235	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	639.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72421	0.3
57.03450	0.4
58.70743	0.3
59.01390	4.1
71.01385	4.5
73.02933	0.6
78.95892	2.9
83.01378	0.7
83.05030	0.4
83.05560	0.3
85.02966	4.4
87.00878	2.5
89.02432	2.8
91.56363	0.4
92.65975	0.5
95.01383	1.2
96.96970	0.4
99.00851	0.8
99.11579	0.3
101.02448	3.2
111.08091	0.4
113.02459	6.2
119.03503	0.6
123.88397	0.4
126.57260	0.3
139.71248	0.3
143.03528	0.5
152.99593	1.4
159.03053	0.5
161.04620	1.5
179.05615	0.5
203.05611	0.6
210.70267	0.3
233.06923	0.4
243.04845	0.3
255.23326	100.0
256.23666	2.3
323.09879	20.6
341.10843	0.5
498.89154	0.4
579.33893	1.5
601.94073	0.3
639.35516	0.5
644.87549	0.3
652.33911	0.4
655.26208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77968	0.2
53.53021	0.2
54.83890	0.2
59.01378	0.4
68.78613	0.2
73.02955	0.6
78.95891	0.3
90.43965	0.3
99.92577	7.0
114.93431	0.3
115.10198	0.3
116.92857	100.0
116.97232	6.3
117.01939	1.3
117.92867	1.8
135.63000	0.3
152.75923	0.3
153.20935	0.3
203.53055	0.3
268.77264	0.3
283.26526	1.3
305.10974	0.3
319.19455	0.3
395.96246	0.3
508.33972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.03451	0.9
59.01117	0.9
59.01392	19.1
71.01391	12.2
72.99278	0.4
73.02935	1.9
83.01376	2.5
85.02937	4.6
87.58971	0.6
89.02447	11.6
89.96738	0.4
92.66213	0.6
95.01382	0.8
99.00900	0.6
101.02439	12.6
113.02432	6.2
119.03496	4.2
121.88620	0.5
128.86551	0.5
182.05482	0.5
189.12810	0.8
201.82254	0.5
443.19250	100.0
444.19827	4.2
467.19095	1.8
538.56458	0.6
641.22375	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	641.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31929	0.3
55.01875	1.6
57.03460	2.7
58.23993	0.4
58.24344	0.3
59.01386	47.0
68.47880	0.3
69.03461	0.4
71.01381	18.9
72.99294	0.5
73.02941	11.4
83.01377	3.4
83.05022	0.9
85.02473	0.5
85.02950	10.1
85.03416	0.7
86.03275	0.7
86.04488	0.3
87.00877	0.4
87.03345	0.6
89.02444	11.1
95.01362	1.9
97.02925	0.5
99.00873	10.3
99.04478	0.5
101.02440	12.5
112.01650	0.5
113.02450	11.8
119.03513	3.1
121.02939	1.8
122.03210	0.5
123.00901	0.6
123.08167	10.8
125.02425	1.9
125.42577	0.4
127.04023	0.6
131.03511	1.8
134.81799	0.4
137.09700	3.6
138.03178	0.4
143.03477	1.3
149.02444	0.9
149.04492	0.9
150.03221	2.7
151.54315	0.4
153.05551	0.4
159.03000	0.6
161.04546	6.4
163.11281	11.0
165.05650	3.1
166.99831	0.7
173.09685	0.6
179.05594	0.8
182.02173	2.0
189.12848	17.4
191.05632	0.9
195.06541	0.6
197.04626	3.6
207.13916	20.0
225.14946	2.2
239.94510	0.4
387.20490	0.7
429.21375	2.0
501.23291	0.6
519.24554	11.5
561.25610	100.0
562.25940	3.6
597.17914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	21.1
59.01383	4.8
59.47222	0.2
62.26205	0.2
66.68604	0.2
71.01382	1.7
73.01944	0.2
73.02950	2.1
78.95866	0.2
81.03458	0.3
83.01366	1.0
85.02934	0.4
99.04516	13.4
101.02429	4.7
113.02443	1.0
113.06074	0.3
123.04496	1.6
125.02433	13.3
141.05595	0.4
141.50803	0.2
143.03502	0.3
161.04546	0.8
171.10313	0.2
233.01918	0.2
305.08786	2.4
335.22314	100.0
336.22708	2.1
349.23834	4.7
377.23236	0.5
381.45145	0.2
410.24084	0.3
497.27661	0.5
539.28192	0.4
597.33136	1.5
641.31879	15.6
642.31970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25602	33.3
59.01391	85.3
59.75920	35.9
71.64616	32.8
74.53190	37.7
75.35555	46.8
78.95915	51.8
109.78454	41.1
132.15202	45.2
281.24951	100.0
341.10907	45.0
347.67413	50.0
465.14572	41.6
605.35565	80.8
641.33600	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11134	7.8
59.01375	50.2
71.01345	12.7
89.02433	44.6
93.64338	10.7
111.10828	10.2
113.02463	19.1
116.92825	14.0
119.03500	14.2
134.22527	10.4
281.24887	52.2
305.03250	11.3
323.10239	11.4
341.10950	100.0
602.41730	10.5
605.06036	12.2
641.33154	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98972	5.7
59.01389	14.3
66.13148	7.3
71.01374	31.7
74.35761	8.4
78.95899	15.1
87.00861	11.4
89.02438	14.5
92.97208	8.4
111.21336	7.7
113.02456	12.7
215.42421	8.4
281.24841	100.0
295.26495	17.5
323.09827	10.8
341.10962	47.4
410.81281	9.7
475.78671	11.1
605.35663	51.9
613.66083	9.3
641.33411	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30137	0.3
54.82564	0.4
57.58524	0.3
59.01382	0.9
61.98837	100.0
65.32020	0.4
70.81773	0.4
71.01389	0.6
89.02443	0.8
121.02990	0.5
199.69415	0.4
255.23418	0.8
287.11014	0.4
337.62350	0.4
355.14935	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27077	0.4
54.82961	0.4
59.01396	0.6
59.34725	0.4
61.98840	100.0
63.79184	0.4
71.01382	1.0
89.02459	0.7
94.13996	0.5
121.02997	0.7
193.64746	0.5
221.38646	0.5
227.85628	0.5
254.81062	0.5
255.23418	0.8
341.10925	0.5
516.37500	0.5
574.26758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82882	0.3
56.12749	0.3
56.57067	0.3
58.02983	23.3
59.57614	0.2
76.49619	0.2
85.70865	0.3
136.71175	0.3
147.08197	0.4
148.00591	0.3
163.11292	81.6
164.11615	1.1
168.13937	18.0
197.06053	1.4
208.05304	1.5
209.06087	0.4
211.04013	0.5
212.04776	0.4
212.12968	0.4
223.07678	1.7
225.05594	5.0
226.06349	0.6
238.06244	0.6
239.07085	2.5
239.10864	0.6
240.07930	3.6
241.08725	15.7
253.12201	0.3
254.13058	0.6
264.11563	4.7
267.10291	3.7
269.11533	0.3
272.06934	3.2
277.49789	0.3
279.10300	1.5
279.13968	2.0
280.11249	0.3
281.11945	0.5
282.12585	2.4
283.13449	0.4
283.26453	22.3
284.26791	8.6
294.12683	2.6
295.13373	2.7
297.14984	40.2
298.15302	0.5
394.20206	0.4
401.17480	1.1
406.20273	6.6
407.20258	0.3
409.22711	0.5
417.20834	3.1
421.22623	0.4
422.23392	0.4
423.23370	0.4
432.22388	0.5
443.22409	2.7
448.19318	0.5
451.27344	0.6
453.21976	2.6
455.25980	1.1
458.24799	1.4
466.29654	8.3
473.26993	7.1
478.29614	3.8
494.85852	0.3
570.32104	0.7
584.44867	0.3
586.35590	1.1
617.34033	0.4
627.39069	0.6
642.41754	100.0
643.42242	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19153	0.5
55.01889	9.5
57.03235	0.5
57.03453	9.3
59.01143	0.6
59.01387	8.2
65.00326	1.3
67.01876	2.3
68.99826	1.0
71.01372	5.6
72.99293	2.9
73.02949	0.9
75.83980	0.5
78.01125	0.6
83.00917	1.1
83.01382	21.1
84.02171	1.1
85.02946	51.9
89.00315	2.8
89.02432	0.9
91.01880	10.1
92.65910	0.6
93.03382	0.6
95.01382	1.4
96.96004	1.4
97.02974	0.9
99.00864	3.3
101.02434	1.1
106.00593	3.1
108.02174	11.9
109.02935	1.3
111.00871	33.6
113.02463	1.5
115.05531	1.3
121.02946	100.0
122.03329	0.8
123.00877	13.8
123.04508	23.6
124.01667	1.0
125.02437	4.0
127.00345	2.9
129.01910	11.0
131.05037	11.5
133.02936	3.8
133.06589	33.4
136.39078	0.7
136.98798	1.0
137.02461	1.4
138.03209	9.7
139.00365	6.7
139.04018	0.7
143.05040	6.5
147.03027	0.8
152.01157	17.3
153.01923	1.0
153.05573	30.2
158.03760	0.8
159.04439	5.6
161.06073	35.1
166.99843	11.7
167.03484	51.2
179.03552	1.1
182.02206	28.3
189.05568	23.7
192.04239	1.5
196.03775	2.5
197.04561	64.0
198.04799	0.6
207.03072	0.9
207.06612	2.8
222.05356	2.4
233.04500	8.6
235.06131	6.7
237.07689	3.9
251.05791	1.1
259.02591	0.8
261.11972	0.6
265.07175	16.4
268.03790	2.5
269.04715	0.9
270.23630	0.7
277.03513	3.4
295.04391	0.7
309.06155	1.2
341.05078	0.7
353.05334	1.3
356.11841	0.7
364.36002	0.8
473.11050	1.4
583.25873	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	643.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	11.0
57.03191	1.3
57.03455	33.5
59.01389	18.4
65.00315	1.4
65.39941	0.8
67.01902	1.8
68.99813	1.6
69.52574	0.7
71.01379	10.7
72.99309	1.6
73.02938	1.8
75.00881	2.1
78.95903	0.9
83.01386	27.8
84.02144	1.8
85.02948	100.0
85.13293	0.9
87.00871	1.9
89.00320	1.1
89.02427	1.8
91.01872	7.4
95.01385	3.7
96.95988	5.8
97.02959	1.4
99.00864	6.3
99.04504	3.6
101.02433	3.8
108.02169	14.9
109.02951	1.2
111.00877	52.8
111.65193	0.7
113.02441	2.0
121.02071	2.0
121.02950	62.4
122.03269	1.2
123.00882	26.2
123.04520	37.4
124.01662	9.4
125.02441	19.0
127.00357	1.2
129.01938	61.5
131.08221	0.9
131.12497	0.9
133.06578	1.1
135.04498	1.1
136.01648	4.7
136.98796	1.1
137.02414	1.6
138.03183	7.3
139.00372	4.8
143.03497	1.5
147.02995	4.2
147.04510	3.3
151.04002	1.1
152.01140	7.5
153.05577	16.3
154.99879	1.2
157.36732	0.9
161.06050	1.3
163.04013	5.4
164.01228	0.9
164.04793	4.9
166.02693	4.7
166.99849	14.1
167.03505	55.1
173.00882	1.9
174.03336	1.7
175.03935	1.6
176.04692	1.0
177.02037	0.9
179.03470	1.0
179.07077	1.0
181.01422	1.4
182.02223	30.7
189.05589	4.5
191.03531	1.8
192.04300	19.4
196.03783	3.4
197.04567	52.8
207.02925	1.7
207.06616	31.1
220.03842	2.1
222.05389	1.0
233.04521	3.1
235.06134	43.7
237.07669	2.1
261.04074	1.2
265.07211	20.7
279.05084	12.6
295.04645	1.5
297.06506	1.1
309.06140	3.6
323.04144	4.9
327.07239	4.0
335.22275	8.9
336.22668	12.8
337.22922	3.5
353.05237	4.5
383.43314	0.9
478.24939	1.1
530.83722	1.1
643.32294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63924	0.6
54.82918	0.5
55.01882	4.5
57.03460	9.4
58.00604	0.6
59.01389	51.7
59.95182	0.6
69.03464	1.1
71.01385	45.9
72.99303	3.3
73.02950	8.4
74.60808	0.6
75.00887	0.7
81.03447	0.7
83.01392	7.7
84.02167	0.7
85.02949	37.9
87.00861	4.3
89.02441	34.6
93.03443	0.8
95.01356	3.0
97.02942	3.1
99.00861	6.1
101.02441	30.1
108.02160	3.1
111.00874	5.5
112.01192	0.7
113.02442	20.0
119.03507	8.6
121.02941	8.1
123.00873	2.8
123.04522	4.2
124.01682	1.2
125.02426	4.6
128.03459	0.8
129.01947	11.6
131.03496	7.1
137.02448	0.9
138.03201	1.1
139.00369	1.6
143.03494	2.9
147.09854	0.7
149.02440	0.9
149.04572	3.1
152.01170	4.1
153.01558	0.9
153.05611	1.5
161.04572	5.2
164.04837	1.3
165.01924	0.9
167.03494	8.6
168.03848	1.2
169.03918	0.9
179.03607	0.9
179.05611	4.4
189.05521	0.7
191.01912	0.7
192.04314	1.1
197.04585	4.4
198.53127	0.8
207.06636	3.7
222.05293	0.8
235.06178	4.8
235.08310	1.0
237.07710	0.8
265.07291	5.4
289.16565	3.1
371.15637	0.8
421.20825	18.8
583.26184	100.0
584.26575	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	643.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.8
57.03445	2.8
58.00583	1.0
59.01386	42.4
66.35846	0.4
69.03449	0.7
71.01381	40.4
72.83552	0.4
72.99289	2.3
73.02938	11.0
74.80586	0.3
75.56315	0.4
79.34348	0.4
81.03467	0.4
82.26910	0.4
83.01381	7.7
85.02946	16.8
87.00863	2.9
89.02436	29.1
95.01366	2.1
97.02950	3.8
99.00884	4.8
101.02437	31.4
111.00867	2.9
113.01708	0.8
113.02449	14.5
115.04007	0.8
119.03476	2.4
125.02446	7.7
131.03482	6.7
139.04021	0.4
143.03496	2.6
149.04532	2.8
157.21561	0.4
159.02977	1.8
161.04527	9.4
179.05664	0.6
221.06709	1.7
224.87611	0.5
233.06688	0.6
262.66043	0.4
289.16660	5.5
319.74396	0.5
400.69931	0.5
421.15198	0.8
421.20850	24.0
422.21011	0.8
451.21927	0.9
583.26160	100.0
584.26563	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.6
57.03458	4.1
58.00600	1.0
59.01388	53.0
69.03436	1.5
71.01382	51.2
71.29617	0.3
72.60526	0.4
72.99292	2.0
73.02944	13.0
75.00880	0.5
76.42279	0.4
79.04709	0.3
81.03447	1.9
81.75122	0.3
82.26266	0.3
83.01382	7.8
85.02950	27.7
87.00869	5.9
89.02440	31.0
95.01387	4.7
96.95985	0.7
97.02932	2.6
99.00878	9.0
101.02437	36.3
109.02936	0.6
111.00887	3.5
113.02451	25.6
115.03999	0.6
119.03509	4.5
125.02433	5.9
127.11293	0.5
129.01953	0.5
131.03496	8.6
137.02434	0.8
143.03499	4.6
149.04524	1.8
151.04008	0.5
159.03011	1.6
161.04578	8.3
179.05611	2.6
191.05597	0.5
215.05688	0.4
233.06667	0.8
235.08331	1.8
272.38278	0.5
289.16638	5.4
293.08795	0.7
363.12122	0.4
393.34454	0.4
421.20883	23.6
422.21561	0.5
502.54831	0.4
583.26147	100.0
584.26428	7.1
586.77142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	29.4
59.96233	4.9
60.00113	5.6
61.98837	22.4
74.93735	4.3
76.57045	6.2
88.17874	5.6
90.13953	4.9
120.07137	5.0
137.02446	27.9
151.04024	6.2
168.13913	21.4
174.91862	7.2
199.17090	12.6
241.87671	6.2
250.22697	5.8
270.07590	5.2
423.20587	58.7
438.22937	94.1
607.37598	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	645.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72886	0.2
58.02705	0.5
58.02984	11.0
59.01391	6.1
62.87134	0.2
68.97003	0.2
70.02981	9.2
71.01395	0.4
72.00903	3.3
72.04557	1.9
73.02956	0.4
73.42518	0.2
74.02473	50.1
78.16298	0.2
78.57932	0.2
84.15317	0.2
85.02951	1.0
88.12233	0.2
92.11706	1.3
96.96007	1.0
98.02467	14.1
101.02450	0.9
108.04584	0.3
109.34310	0.2
110.16422	0.2
113.02510	0.2
113.84266	0.2
116.02695	0.6
116.03531	16.9
116.05045	21.0
120.22355	0.2
127.07652	0.9
130.06598	2.7
142.06618	5.3
156.08324	0.4
158.12057	0.2
159.09279	6.3
161.04790	0.3
171.06581	0.5
183.09305	1.2
186.05573	1.7
190.03972	0.2
201.10390	4.7
203.08286	53.7
204.08542	0.4
227.03528	1.1
245.09323	100.0
246.09694	1.7
255.02971	1.9
269.10181	0.3
284.03333	1.8
285.03979	0.6
288.68893	0.3
289.08127	0.5
300.02658	0.5
311.11441	0.5
397.07675	0.3
609.15033	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	645.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	10.2
58.02978	1.5
59.01390	9.7
71.01391	1.4
72.00905	7.7
72.28864	0.6
73.81146	0.5
74.02466	2.4
82.03008	1.1
84.04556	2.6
85.02951	2.6
86.02490	0.7
91.05524	2.8
99.04520	9.0
99.05643	0.7
101.02441	4.7
109.04086	6.0
112.04034	1.2
115.08774	2.7
118.06629	1.2
119.05031	0.7
119.57776	0.7
122.04829	0.8
124.02759	0.9
125.02464	2.6
127.05135	31.1
128.03532	100.0
129.03899	0.8
133.90379	0.6
142.22995	0.6
145.06245	0.8
147.04530	27.4
162.05626	0.9
163.26846	0.6
164.07182	58.6
207.08784	4.2
213.10387	4.7
231.11398	0.9
249.09650	0.6
249.12437	0.9
257.09372	10.2
265.12009	1.0
275.10410	21.4
279.13568	1.4
293.11478	52.6
294.11765	1.2
307.13113	4.1
351.12891	8.6
351.20245	1.2
485.79669	0.6
528.21283	0.6
600.61011	0.7
638.97510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20617	2.5
59.01383	27.4
94.06578	3.0
101.48532	3.3
107.03796	3.3
108.04524	3.6
120.04507	3.1
122.06127	44.4
124.07694	6.6
134.06117	18.5
144.04567	2.8
147.13414	2.6
160.06450	6.0
174.05647	11.8
180.06709	4.8
186.05571	5.6
188.07236	2.9
213.10335	31.0
217.13383	4.3
225.10344	5.3
236.09433	3.3
237.10452	4.4
239.11855	36.0
241.13475	26.0
249.10365	3.7
251.08270	5.9
251.11916	12.9
263.08432	5.4
263.11844	5.2
264.09155	27.3
265.09860	14.4
267.11444	12.9
276.09039	4.5
277.09790	11.3
279.11377	42.3
280.12210	3.9
285.12476	64.0
289.09848	3.7
291.08054	8.9
291.11386	14.9
292.08609	25.5
292.11365	3.7
293.09265	18.8
293.12753	6.2
298.09595	3.3
301.12045	4.9
306.10165	15.3
307.10934	97.2
308.11844	21.3
311.10349	3.5
312.11136	4.3
336.78253	3.1
340.10748	15.2
343.13318	3.5
350.09070	25.4
351.09903	61.3
352.10828	4.3
356.14255	4.7
365.11499	12.1
370.15845	5.5
372.17172	3.9
382.11948	4.6
389.18063	3.8
390.18185	5.3
398.15234	24.1
402.14462	3.9
412.16611	11.7
413.17688	6.8
432.19193	22.8
446.20941	18.6
458.17166	11.0
475.17722	5.4
476.18372	34.3
490.19989	54.5
507.20239	4.1
522.22437	87.6
537.25055	56.4
569.27917	37.4
581.24164	22.7
613.26794	100.0
614.26324	4.8
645.29260	35.0
658.13947	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	646.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
58.02994	0.2
59.01387	2.0
63.85172	0.2
64.20424	0.2
65.70547	0.2
70.02994	0.4
71.01382	6.8
71.57758	0.2
72.00890	0.2
79.94218	0.2
81.94621	0.2
85.02981	0.2
85.26677	0.2
88.04038	82.7
89.04332	0.2
91.05521	2.7
96.96019	0.5
99.04510	0.8
99.58010	0.2
101.02415	0.8
114.01960	4.0
115.00369	14.6
119.71563	0.2
125.02419	0.4
132.03027	100.0
133.03363	0.2
134.06114	1.0
135.04521	3.8
137.06088	0.4
161.04498	0.3
164.07271	0.2
206.08238	2.6
232.06110	0.5
239.69865	0.2
250.07236	64.9
251.07523	0.5
251.11362	0.4
263.12076	0.2
267.40494	0.2
280.34467	0.2
293.12485	0.4
395.15469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.6
59.72497	1.0
60.19118	1.0
61.98817	2.1
62.96405	1.6
64.56554	1.1
70.21690	1.1
78.95900	52.1
83.04993	1.1
89.55178	1.5
92.66821	1.4
97.06569	13.2
99.91828	1.1
116.36404	1.2
122.00128	12.1
123.08136	6.1
125.09709	100.0
140.01172	27.5
143.10802	1.4
149.61234	1.1
152.99577	17.7
169.08705	2.5
187.09758	48.4
196.03796	7.4
230.13989	19.0
279.23312	41.5
323.09244	2.0
366.13257	29.0
384.14548	2.9
411.23087	1.5
438.76614	1.3
646.37335	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83088	1.7
57.03440	3.8
64.34774	2.1
78.95892	24.6
94.47603	1.7
97.06578	12.0
114.39445	2.4
123.08129	7.8
125.09715	100.0
140.01183	12.4
152.99521	2.6
169.08711	2.2
187.09761	69.1
196.03833	3.1
279.23273	23.9
289.54248	1.8
343.28400	2.4
366.13156	7.9
477.02426	2.2
646.26636	3.4
646.37225	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48574	0.7
57.03441	0.7
59.01104	1.2
59.01384	23.4
69.03496	0.8
71.01375	8.6
73.02940	2.7
75.00846	3.1
79.43729	0.7
80.05038	0.9
83.01377	1.1
85.02942	7.6
87.00845	0.9
89.02419	1.2
94.06616	3.3
96.90423	0.7
99.00870	3.1
101.02435	6.6
106.06615	1.4
107.03760	3.6
108.04536	7.4
108.08189	1.2
110.06101	7.5
111.00901	1.1
113.02453	4.7
114.40276	0.7
118.06638	1.2
120.08110	1.0
121.05346	1.0
122.06110	30.6
125.02411	0.9
130.06566	0.8
134.06116	8.8
136.07655	7.2
138.05608	7.1
144.04552	4.6
146.06119	4.9
148.07646	1.3
152.07216	7.2
159.06898	1.6
160.03986	0.8
160.07686	1.0
161.04643	0.9
162.05650	2.8
172.03996	0.9
173.04854	1.1
174.05652	5.6
180.06653	27.8
186.05579	1.3
187.06448	1.3
188.07176	15.6
193.05176	0.8
197.11842	2.6
201.10309	1.4
203.05849	1.5
203.11911	1.3
204.06569	0.9
210.08000	1.1
211.08839	0.8
213.10345	3.2
215.11919	2.7
223.08865	1.2
224.09569	3.1
225.10310	2.8
226.11072	1.0
233.13005	0.8
235.08749	0.9
235.12309	0.8
236.09526	1.5
237.10396	5.4
238.07356	1.2
238.11104	3.1
239.08235	1.2
239.11880	17.1
240.12462	1.0
241.10844	1.3
241.13449	6.6
249.10329	1.2
251.08278	6.5
251.11931	6.6
252.09044	1.7
253.09851	1.1
263.08228	1.1
263.11871	4.9
264.08978	4.6
265.09814	16.2
266.10541	4.6
267.11386	8.3
269.04486	3.5
277.09879	4.9
278.10410	1.3
279.07748	6.5
279.11386	11.0
280.08487	1.0
280.12186	6.0
281.09335	1.6
281.13065	1.4
283.11435	0.8
285.12527	6.0
289.09753	1.8
290.10513	3.2
291.11368	10.4
292.08557	4.2
292.12076	5.3
293.09366	14.2
293.12585	2.1
294.09796	0.9
298.09473	2.8
301.11578	0.8
306.10300	1.3
307.10895	27.1
308.11682	39.7
308.96051	0.8
309.12369	8.0
311.10336	6.4
312.11157	4.4
322.09482	0.9
335.10443	1.4
340.10632	31.9
351.09888	1.8
352.10526	3.9
353.11560	1.1
362.18814	1.1
370.15973	1.1
374.14941	1.0
388.16794	2.7
402.18295	1.2
403.16089	1.5
406.17807	2.9
412.16714	1.2
418.17603	5.6
430.17703	26.6
432.19702	0.9
448.18781	25.1
456.15619	1.7
464.18332	1.5
474.16684	6.4
476.18170	1.3
492.17828	78.8
493.18167	3.2
496.20721	1.6
506.20126	5.6
506.26685	0.9
508.21042	4.5
524.20428	100.0
525.21130	5.0
535.23383	0.9
553.24402	3.4
571.25488	1.0
597.23755	5.2
609.29303	1.6
615.24207	7.2
617.30310	10.1
617.80212	9.6
624.30945	1.6
625.80029	1.3
629.26978	7.1
647.27240	7.7
649.82892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	7.0
71.01382	1.4
76.52666	0.7
85.02954	0.8
86.22678	0.8
95.05009	1.8
110.06119	11.2
113.02454	1.0
118.06593	0.8
120.08186	13.4
121.05332	1.6
122.02487	0.7
122.06120	16.4
123.03274	24.7
124.04049	1.5
128.03523	0.7
130.06668	1.0
136.03996	3.2
137.04813	4.6
137.06186	0.7
138.05612	100.0
139.05934	0.9
144.04562	7.0
146.06136	1.4
147.04474	1.1
149.80185	0.7
160.04015	1.8
162.05588	3.7
172.04059	3.4
174.05595	6.4
174.09143	0.7
188.03650	1.0
188.07175	1.0
189.04327	0.9
202.08751	0.9
203.05908	3.2
203.11929	1.1
204.06717	4.4
213.10271	3.3
222.08076	0.9
225.13963	1.7
235.12428	1.2
236.09546	4.0
237.10330	1.9
239.11954	2.7
241.13504	1.2
247.08748	0.9
248.09529	1.7
249.10196	5.7
249.13992	1.5
250.11079	1.3
251.11913	16.2
252.12607	1.1
253.13680	1.1
262.07495	3.4
262.11099	1.7
263.08261	15.5
263.11874	14.0
264.09036	5.8
264.12604	3.2
265.09875	3.9
265.13434	8.4
266.10617	1.8
267.11322	1.5
268.08527	1.6
275.08316	1.6
275.11765	1.3
276.09061	17.6
277.09818	69.0
278.10562	14.7
279.11401	17.7
281.09476	1.0
282.10062	3.5
283.10907	1.2
285.12488	4.1
290.10605	1.5
291.11441	79.4
292.12195	77.4
293.09464	1.4
293.12939	29.9
294.10400	1.3
294.13623	6.1
295.10831	2.8
295.14316	1.1
296.11743	0.9
303.13571	0.9
308.11771	0.8
309.12521	1.9
310.09625	1.6
311.10468	1.5
312.11243	1.5
313.11777	1.0
318.10056	1.5
324.11203	11.2
325.11899	1.3
325.15497	0.8
326.12784	1.6
329.11725	1.0
335.10434	20.9
336.11209	24.2
337.11850	5.4
344.14175	1.2
346.15381	1.3
358.15665	1.2
360.17188	1.2
370.15601	1.8
372.13242	1.3
372.17407	1.4
374.18976	1.1
384.13629	1.3
386.15021	1.5
398.14792	1.5
402.18182	3.9
414.18338	12.4
416.20023	1.3
417.17145	1.2
418.17804	3.4
432.19287	25.1
434.21100	1.2
436.18747	1.5
446.16959	1.0
458.17093	6.9
459.18066	2.9
460.18765	1.5
476.18283	57.4
477.19012	9.6
478.19958	10.7
490.20044	1.7
508.20908	57.4
509.21243	3.4
510.22534	6.6
524.20300	1.3
541.24432	1.2
553.24573	6.4
564.29504	0.9
571.25830	14.8
585.23657	1.7
597.23810	9.9
615.24695	67.8
616.24884	4.7
617.26575	1.6
629.26367	5.3
647.27246	41.4
648.27704	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	647.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85991	0.2
55.01896	5.0
57.03462	44.6
58.00606	0.7
59.01393	36.2
62.39104	0.3
63.27215	0.3
63.86033	0.2
67.01936	0.4
68.99816	0.3
69.03449	1.6
71.01393	24.0
72.99295	0.7
73.02959	8.4
75.00892	0.5
76.57463	0.3
81.03436	0.6
83.01396	11.5
85.02960	21.3
86.00096	2.2
87.00883	0.8
89.02481	1.0
95.01392	4.1
97.02940	1.7
99.00885	3.7
99.04517	7.1
101.02442	25.2
111.00881	1.9
112.01634	1.7
113.02451	9.8
119.03542	0.4
124.01642	0.4
125.02429	5.1
129.01933	0.6
137.21404	0.3
141.01921	0.4
143.03497	1.4
159.02959	1.4
161.04521	2.3
211.17073	2.6
213.18605	6.8
214.64140	0.3
230.40155	0.3
309.27786	0.5
341.27060	0.4
348.53046	0.3
393.77029	0.4
459.33408	1.7
485.31192	5.4
503.32321	100.0
504.32721	5.9
545.33386	39.1
546.34076	2.6
585.36786	3.1
647.36975	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	647.3808
Annotation	3-O-beta-D-Glucopyranosyl quinovic acid
Peak:m/z	Relative Intensity
51.81255	0.6
54.18813	0.5
55.01884	1.6
57.03458	5.3
59.01389	7.7
60.02903	0.5
68.87279	0.6
71.01383	10.2
71.85545	0.7
72.99305	3.8
75.00870	25.0
79.28323	0.7
85.02950	30.1
85.03474	1.2
87.00867	4.4
89.02375	0.7
95.01397	1.2
98.64545	0.7
99.00878	3.2
113.02448	20.5
115.00342	1.0
124.25412	0.6
130.03580	0.7
133.03682	0.7
142.96535	0.8
157.01450	0.9
303.81839	0.8
385.06802	0.7
439.32199	3.3
451.32251	1.3
637.05133	0.8
647.38092	100.0
648.38843	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	649.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52322	0.9
53.00386	1.0
53.45832	1.1
57.03448	2.5
59.01387	20.5
65.22783	1.1
69.03465	2.8
71.01381	5.5
71.53175	1.1
73.02957	2.2
75.00875	1.9
82.02990	2.8
82.24142	1.3
85.02955	5.3
94.02979	67.1
96.04530	2.8
97.02964	2.3
99.00855	1.7
99.04507	1.6
101.02444	2.3
105.05801	1.2
108.04549	3.0
108.79419	1.3
110.06126	1.2
113.02463	2.7
120.08185	49.0
120.08994	2.3
124.07681	8.9
125.02440	18.5
132.75684	1.4
136.03979	2.2
136.86896	1.2
137.04785	1.8
138.05617	34.6
140.52751	1.2
144.04564	7.1
161.04713	2.6
162.05663	4.7
164.07187	2.2
172.07625	1.3
174.05638	8.4
188.03629	2.3
199.08803	1.8
203.05939	10.6
215.12018	2.2
217.13400	1.5
223.08795	7.0
233.99420	1.3
236.09604	6.6
237.10388	5.0
249.10448	2.4
249.13959	2.5
250.07669	1.3
250.10997	2.1
250.77237	1.3
251.09288	1.5
251.11948	45.7
252.12665	2.0
262.11148	1.3
263.08197	9.7
263.11880	11.1
264.09036	9.4
264.12595	2.1
265.13492	10.0
266.10477	2.4
268.08603	3.0
276.09116	8.8
277.09827	45.2
278.10529	9.6
279.11438	3.0
280.12036	1.3
282.10101	1.8
283.10904	1.7
285.12619	2.3
287.63602	1.4
291.11411	49.0
292.12256	52.8
293.12979	31.8
294.13541	1.8
295.10880	1.8
296.11673	2.2
298.19882	1.3
303.13464	1.8
319.10965	6.2
324.11215	13.5
325.12091	1.5
327.13531	5.0
335.10400	16.8
336.11148	18.8
337.12064	12.3
346.15607	2.3
374.18787	11.8
375.19568	2.9
376.20349	2.1
386.14816	2.9
388.16571	5.1
416.20078	22.8
417.20645	1.8
420.19473	12.8
442.17764	1.7
443.18256	4.1
448.22293	1.8
460.18924	26.8
461.19519	19.3
492.21494	100.0
493.21698	2.8
505.33676	1.6
513.25165	2.6
555.26593	2.0
557.23615	8.8
573.27557	2.9
589.26764	14.7
599.25311	14.6
617.26202	46.5
631.27850	21.6
649.28961	55.5
650.28876	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	649.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34792	1.1
54.83123	1.5
59.01387	5.2
65.77814	1.2
70.01139	1.1
82.02969	5.7
83.62863	1.2
94.02991	64.6
96.04543	6.6
105.05841	1.7
108.04538	2.9
110.06092	1.3
120.08191	49.4
122.06069	1.8
124.07706	9.0
134.61778	1.2
137.04813	2.8
137.61491	1.2
138.05623	34.3
144.04546	9.3
160.04056	1.8
161.04745	1.2
162.05594	2.6
163.34491	1.2
164.07161	2.7
167.03264	1.3
173.04926	1.4
174.05617	7.6
176.32381	1.2
188.03493	2.5
188.07353	1.4
200.07343	1.5
203.05914	11.0
204.06645	1.5
215.11891	1.4
222.08102	1.4
223.08739	5.2
236.09583	5.9
237.10304	7.6
238.07788	1.3
239.11877	1.6
247.12317	1.5
248.09476	2.2
249.10376	5.5
249.14256	1.7
250.11124	2.1
251.11938	53.1
252.12671	2.1
261.12430	1.6
263.08228	8.2
263.11902	7.8
264.09012	8.0
264.12848	1.3
265.10132	2.1
265.13461	11.3
266.10712	4.9
268.08481	2.2
276.09006	9.6
277.09836	52.7
278.10666	11.4
279.11298	7.0
282.09973	1.9
285.12497	2.1
291.11465	49.8
292.12207	59.5
293.09875	2.5
293.12982	45.1
294.13541	2.0
295.10892	5.1
296.11594	2.7
319.10812	5.6
324.11139	16.3
327.13593	5.3
335.10382	16.4
336.11163	15.7
337.12027	12.6
346.15601	2.2
360.17221	1.9
374.19012	10.2
375.19492	2.7
376.20291	1.8
388.16684	6.3
401.17136	2.2
415.18997	1.5
416.19861	19.1
417.20517	5.7
420.19440	14.1
434.20496	2.6
443.18689	4.8
448.22406	1.7
460.18762	25.3
461.19519	17.3
492.21439	100.0
493.21744	2.6
508.62592	1.4
513.25000	7.3
531.26654	1.6
555.26129	6.4
557.24628	9.8
573.27026	6.6
589.27081	11.0
599.25171	20.9
617.26312	63.4
617.36523	2.5
618.26587	2.9
631.27667	21.1
649.28845	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	4.0
58.02414	1.9
59.01394	24.8
71.01382	8.9
73.02937	3.1
84.61712	2.0
85.02952	4.6
89.02448	2.5
91.73583	2.2
93.03444	17.1
94.02979	79.0
94.60671	2.1
99.00872	2.7
110.06095	4.5
120.08179	33.0
122.06120	14.3
122.94607	2.5
124.07658	9.5
136.07727	2.6
137.02428	22.7
137.04776	2.7
138.05617	39.9
139.07637	2.9
144.04604	2.2
148.07683	2.5
161.04727	3.8
174.05650	5.7
180.06625	12.9
181.07019	3.3
188.07172	2.7
194.90933	2.2
213.10387	3.9
215.11913	3.1
223.08803	5.1
236.09512	14.0
237.10289	12.1
238.10890	3.6
239.11861	10.5
249.10205	3.3
249.14143	3.1
250.07503	3.3
250.11069	5.0
251.11896	100.0
251.14386	4.9
252.12531	10.8
263.08340	6.6
263.11728	3.0
264.09091	9.4
264.12482	2.6
265.09799	12.5
265.13376	5.3
266.10431	11.3
267.11038	2.7
268.08530	4.2
276.09012	5.2
277.09824	30.3
278.10498	15.0
279.11288	10.3
280.11743	3.1
282.09979	5.3
285.12375	3.4
291.11365	37.0
292.12164	31.8
293.09604	4.5
293.12894	29.3
295.10791	3.9
296.11591	5.0
307.10712	4.2
308.11551	16.3
309.11932	13.4
310.12628	4.8
324.11157	19.4
335.10364	11.1
336.11163	9.6
337.12088	4.0
340.10757	3.8
341.11050	10.6
360.17206	3.1
372.20847	3.4
374.14838	2.9
374.18948	26.9
375.19568	8.6
376.20248	5.7
388.16434	3.0
404.15131	2.5
416.19858	33.5
420.19235	38.4
432.18842	3.9
442.18176	3.0
443.18576	3.4
450.19672	3.5
460.18677	24.0
461.19501	12.7
492.21744	57.9
493.18188	13.7
494.18372	20.6
513.25269	5.6
525.20856	11.8
526.20764	25.4
531.26184	14.0
555.26221	3.7
557.24371	3.5
573.27295	5.2
589.26709	18.4
599.24921	13.1
617.26147	41.5
618.79437	4.0
631.27734	21.5
649.28778	83.5
650.29681	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	649.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.8
57.03201	0.8
57.03461	20.5
58.00611	0.5
58.37983	0.4
59.01388	10.7
61.52935	0.4
69.03445	0.9
71.01385	9.8
71.65830	0.3
72.99299	0.5
73.02933	2.2
83.01393	3.0
85.02946	5.8
87.00889	1.0
89.02428	0.7
95.01395	0.6
99.00877	0.7
99.04516	2.8
101.02434	5.1
112.01619	0.5
113.02463	3.1
121.16328	0.4
124.01612	0.5
125.02465	3.1
127.11279	2.7
127.80003	0.5
211.17111	0.7
213.18661	2.1
213.58684	0.5
236.84613	0.5
250.28183	0.5
281.24826	0.8
283.26541	1.7
285.04617	0.5
325.27631	2.1
343.28574	20.4
344.29016	0.6
348.29297	0.5
385.29767	0.7
389.42911	0.5
415.09335	0.4
469.31946	0.6
487.32867	13.8
505.33926	100.0
506.34149	6.1
510.67950	0.4
547.34998	23.4
548.34497	1.3
587.38196	1.6
649.38513	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	649.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03456	19.2
59.01387	8.6
71.01383	9.7
72.99253	0.9
73.02948	0.8
75.35995	0.9
78.95850	1.0
83.01389	2.0
85.02939	4.4
90.95068	0.9
95.01350	1.3
99.04501	2.1
101.02427	5.9
125.02453	4.3
191.01321	1.0
202.60503	1.0
209.34131	0.9
228.14664	1.1
232.09438	1.1
263.27414	1.0
343.28555	22.5
487.32861	15.7
505.33923	100.0
506.33923	2.0
547.34943	22.6
619.27380	1.3
633.64453	1.1
643.92914	1.2
649.38141	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	649.3966
Annotation	Kolokoside A
Peak:m/z	Relative Intensity
54.20703	0.6
55.01890	1.4
55.26575	0.7
57.03462	7.6
59.01386	11.6
71.01379	10.1
73.02927	1.1
75.00871	19.9
78.12222	0.8
83.01395	1.1
85.02950	25.5
87.00858	1.9
89.02422	1.5
92.66112	1.1
95.01382	1.3
97.21609	0.9
99.00862	5.1
99.04491	1.3
101.06067	1.3
103.75756	0.8
113.02447	16.5
125.02435	1.4
153.20163	0.7
154.49973	0.8
157.01407	1.4
209.01129	0.9
289.09387	0.9
367.17813	1.0
441.33588	1.6
457.81235	0.9
491.41006	0.9
505.34039	3.1
531.40155	1.1
649.39661	100.0
650.39691	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	651.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03451	5.8
57.12998	1.1
59.01385	17.8
63.02394	1.8
65.00324	7.0
65.57299	1.3
67.29452	1.1
69.83427	1.3
71.01386	7.9
72.15781	1.1
73.02952	1.7
81.03423	2.2
82.99048	1.5
83.01389	15.8
85.02940	14.8
89.02460	2.7
93.03452	5.5
96.96004	14.0
99.04539	2.6
99.65559	1.5
107.01401	21.3
108.02179	1.8
111.00877	8.5
113.02486	1.6
119.05028	42.4
121.02939	3.1
123.04508	2.1
125.02485	3.1
129.01947	5.0
129.52127	1.3
134.03671	2.4
137.02478	2.8
143.05046	6.5
145.02963	5.3
149.02444	9.7
150.99155	2.7
151.00371	67.2
151.03999	1.5
152.01137	3.4
153.01927	1.6
153.05608	7.8
161.06097	8.5
163.00365	1.5
164.01173	8.7
164.04811	2.8
165.01965	6.7
167.03531	5.9
169.01407	2.7
173.65852	1.3
177.01981	8.5
181.05145	2.4
185.06100	9.6
187.04121	1.8
192.04343	1.4
193.05028	1.6
196.00113	9.9
203.07236	6.5
208.03761	2.3
211.06131	8.5
223.06165	9.9
227.07144	20.0
227.13116	1.3
246.17963	1.5
269.04459	6.4
270.05286	15.7
271.06128	41.7
277.08228	1.6
294.52737	1.6
387.14645	5.3
475.12143	1.5
565.15448	3.4
607.16797	100.0
607.26624	3.3
608.16602	4.5
651.24738	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	651.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
57.03450	1.6
58.00608	0.6
59.01386	100.0
59.98531	0.5
65.49342	0.5
65.52246	0.7
67.05513	2.4
67.19518	0.5
69.03448	1.5
71.01382	25.7
72.99291	1.0
73.02959	4.7
75.00860	1.0
81.07121	0.6
83.01395	4.2
83.05033	0.8
85.02940	9.6
87.00871	28.7
89.02441	24.0
94.03325	0.6
95.01367	1.2
97.02946	2.8
99.00893	1.3
99.04546	0.7
101.02431	20.0
103.00362	1.0
107.05003	0.7
110.92948	0.8
111.04527	1.3
113.02441	18.3
115.03989	0.8
119.03498	5.2
124.05302	4.1
125.02422	1.2
129.01921	0.7
131.03435	2.3
133.10242	1.3
135.08133	0.7
135.11806	12.2
137.09714	4.7
141.01949	1.5
143.03508	4.0
156.10362	0.7
159.11794	1.2
161.04529	4.9
161.09712	4.4
163.07692	1.5
165.12854	4.4
174.16733	0.6
175.11334	1.4
177.12860	4.9
179.05644	5.7
179.10779	84.7
180.11108	1.2
181.08728	2.4
193.12331	18.7
197.11926	2.7
203.10846	0.9
221.11856	12.8
223.09760	9.6
231.09717	0.6
241.10905	3.3
251.12970	0.9
265.10901	2.7
281.13828	2.2
283.11993	7.4
323.06381	1.1
323.09848	12.0
325.13043	5.8
341.10928	25.5
355.14096	3.3
385.07452	0.8
385.15088	25.5
403.15707	0.8
445.17221	41.8
446.17780	2.5
503.21414	23.1
505.19598	0.9
547.20392	6.7
565.21387	2.9
607.22552	24.5
608.22968	1.4
617.25269	0.7
631.06018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.6
58.02963	0.7
59.01371	1.2
70.02962	0.6
71.01382	1.2
72.00907	3.6
73.02944	0.9
74.02477	3.8
82.02969	1.0
82.52193	0.6
84.04533	2.4
85.02950	1.0
89.02433	0.8
93.03463	3.4
96.96019	1.0
101.02430	2.4
101.07194	2.5
106.04263	0.5
109.04061	5.1
119.05019	12.0
123.05647	3.2
127.05127	22.9
128.03531	100.0
134.06108	0.6
136.07671	0.7
141.06720	2.9
145.01418	0.7
147.06667	2.7
163.04010	15.1
164.07198	0.6
167.04604	11.7
180.06662	52.2
181.07094	0.7
185.05696	1.0
247.10878	4.3
249.26308	0.6
291.09885	18.5
309.10956	69.8
310.11298	1.2
516.93109	0.6
518.78607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17990	0.2
55.25959	0.3
55.81277	0.2
58.02987	0.6
59.01377	0.5
63.75978	0.2
66.95260	0.2
70.02974	1.0
72.00905	4.4
74.02473	3.1
82.02982	2.2
82.30097	0.3
84.04555	2.2
86.02476	0.3
93.03444	3.4
97.04065	0.3
99.05641	0.5
101.02412	0.2
101.07191	2.1
106.04215	0.4
107.02502	0.4
107.05046	0.3
109.04079	5.6
110.02515	0.2
112.04042	0.6
113.07201	0.3
119.05027	12.5
123.05653	3.3
127.05135	22.1
128.03537	100.0
129.03847	0.4
134.06108	1.0
136.07657	0.4
141.06686	2.9
147.06648	0.4
162.05655	0.3
163.04015	12.9
167.04622	13.9
178.04977	0.3
180.06671	56.7
181.07047	1.1
185.05692	2.7
190.08734	0.3
191.63739	0.2
207.36143	0.3
247.10893	3.9
265.11990	0.6
273.08759	0.4
291.09891	16.4
309.10965	62.9
310.11322	1.8
349.88705	0.3
455.88062	0.3
592.81628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20987	0.3
70.02952	0.5
71.01385	0.7
72.00890	3.0
74.02467	2.6
78.95863	0.3
82.02971	2.6
84.04536	1.6
91.87475	0.4
93.03427	4.1
96.48531	0.4
101.07173	2.6
107.05056	0.4
109.04070	4.2
112.04014	0.4
119.05003	12.1
123.05613	2.8
127.05122	21.7
128.03526	100.0
129.03856	0.8
134.06122	0.6
136.07700	0.5
141.06715	3.6
163.04007	13.1
167.04614	13.2
178.05081	0.5
180.06654	59.4
185.05664	2.3
221.12950	0.5
245.24471	0.4
247.10847	4.5
265.11993	0.5
291.09857	17.7
299.17661	0.4
309.10944	67.0
310.11304	2.0
329.30792	0.4
364.31747	0.4
374.51178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03191	3.5
57.03456	77.2
59.01387	66.6
59.61045	1.8
64.30657	1.8
69.09608	2.1
71.01383	25.6
71.41913	2.0
73.02934	5.3
74.91264	1.9
75.21429	1.8
83.01385	5.0
85.02937	21.2
99.00883	3.9
99.04511	39.6
100.42891	2.0
101.02451	25.8
111.00876	3.2
113.02452	13.0
125.02450	30.4
249.46526	2.1
345.30106	3.6
409.30597	2.2
436.65976	2.5
461.52698	2.4
485.11975	2.6
489.34341	40.9
507.35443	100.0
507.43008	4.2
549.36298	8.8
607.37781	2.5
629.49377	2.6
651.39905	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	651.4126
Annotation	Bryonioside D
Peak:m/z	Relative Intensity
53.39418	0.2
55.01898	3.0
57.03471	8.2
59.01394	5.7
62.62143	0.2
65.69308	0.2
67.01906	0.4
68.99820	0.9
69.03455	0.3
71.01392	5.2
72.99320	2.4
73.02936	1.2
74.31051	0.2
75.00878	37.3
80.89947	0.2
83.01394	2.2
84.02156	0.3
85.02955	32.9
87.00866	2.6
89.02447	0.3
92.12397	1.0
95.01378	4.3
97.02933	0.3
99.00885	2.5
99.04491	0.5
99.75102	0.2
101.02423	0.4
111.00848	0.5
112.01674	1.8
113.02450	17.2
115.00375	1.3
116.01189	0.3
117.01928	1.2
124.56950	0.2
124.79805	0.2
125.02386	0.4
129.01955	1.3
134.06570	0.2
137.58209	0.3
157.01411	1.8
161.40656	0.3
175.02486	1.1
207.55103	0.3
409.31302	0.4
425.34299	1.0
427.35880	0.3
465.33905	0.4
473.36166	0.4
475.38171	0.3
481.36581	0.4
507.35562	0.5
509.64142	0.2
633.39771	0.3
651.41235	100.0
652.41626	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	653.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44112	0.1
57.03461	0.9
57.78208	0.1
59.01385	0.8
65.00320	0.3
71.01386	2.1
79.38278	0.1
81.03455	3.5
83.01379	2.0
85.02955	0.9
87.00896	0.9
87.76386	0.1
95.05022	0.7
95.72401	0.1
99.04480	0.2
103.37453	0.1
107.01393	0.6
115.00377	1.2
119.04999	0.1
121.02066	0.2
121.02950	8.1
123.04518	32.0
124.04858	0.5
125.02437	5.9
126.87133	0.1
129.01939	0.2
133.01443	0.9
137.02454	0.2
139.04031	0.2
139.88385	0.1
146.03716	0.2
149.02470	0.9
151.00359	2.3
153.05507	0.1
161.06046	0.1
163.04004	0.6
164.86674	0.1
165.01961	1.7
166.02693	0.1
167.03496	100.0
168.03828	1.5
175.16595	0.1
179.03496	0.2
179.07175	0.2
180.04230	1.3
189.07173	0.1
191.03493	0.9
195.06654	1.7
198.90222	0.1
209.04535	0.8
225.07692	1.5
237.04027	0.3
340.55893	0.1
357.13077	0.2
371.09869	12.2
372.10059	0.6
414.63315	0.2
480.37091	0.1
481.56259	0.1
653.23035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21895	0.1
56.49891	0.1
59.01391	0.2
59.62143	0.1
62.17743	0.1
71.01383	17.2
85.02953	0.3
111.05553	0.1
114.19503	0.1
115.00368	8.8
121.02950	100.0
122.03285	0.6
159.58833	0.1
167.03427	0.1
174.78798	0.1
176.99361	0.1
236.89154	0.1
237.04062	10.2
252.04361	0.2
253.05132	1.3
300.97598	0.1
425.72995	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	653.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23392	0.1
56.53447	0.1
59.01385	0.2
62.96424	0.3
67.94568	0.1
67.98351	0.1
68.81207	0.1
78.95912	100.0
85.55569	0.1
89.35426	0.1
92.11731	0.1
96.96975	0.6
137.19952	0.2
149.00096	7.9
152.99591	0.3
179.01132	0.8
205.16002	3.5
255.23398	0.6
285.12662	4.5
355.16864	3.6
385.17877	1.7
388.19476	0.2
417.12534	0.3
431.10712	0.2
447.13458	7.4
448.13779	0.2
653.30194	47.9
654.30701	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	653.332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19661	8.9
52.12377	8.4
55.87655	8.2
59.01381	19.4
60.58099	8.6
61.98836	14.5
68.58427	9.8
71.01380	14.6
78.95892	19.8
89.02400	10.2
92.01810	10.5
92.12431	26.9
114.56541	10.0
125.02232	10.3
152.99625	15.3
227.94498	9.8
247.07169	11.6
255.23282	100.0
279.23193	45.2
337.11346	13.8
343.93515	9.2
345.30798	12.0
571.28717	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	653.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31544	0.3
53.33126	0.3
55.56897	0.4
57.03448	2.1
59.01387	1.5
68.64998	0.3
71.05029	7.8
76.58176	0.4
78.95920	0.5
85.06604	0.7
87.04517	0.6
94.64759	0.4
128.81636	0.4
146.37488	0.5
199.24507	0.4
211.20674	7.5
225.22252	10.8
253.25360	14.8
253.27847	0.8
281.24768	2.5
287.83447	0.4
297.24316	2.3
299.25925	100.0
300.26324	2.7
410.74304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	3.2
57.03458	16.7
58.00606	0.3
59.01387	9.0
64.43684	0.3
68.99825	0.3
70.03738	0.3
71.01387	4.1
71.77864	0.2
72.16999	0.3
72.99312	2.1
73.02948	1.5
75.00877	2.2
83.01392	3.0
84.02174	3.0
85.02950	100.0
86.03271	0.3
87.00864	1.3
89.02438	1.5
93.72971	0.3
101.02456	2.2
103.00372	1.5
111.00871	4.1
115.00379	1.4
121.02956	7.7
126.40250	0.3
128.03513	0.4
129.01930	6.2
147.03001	11.6
147.04080	0.6
163.02449	0.4
168.88936	0.3
173.00922	1.7
189.05768	0.5
191.01985	23.0
197.04601	0.7
231.06558	0.4
276.19189	0.4
291.19052	0.3
295.04691	1.7
313.05688	34.2
314.06064	0.5
341.11029	2.1
522.25769	0.3
530.62653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26969	0.8
55.88213	0.9
57.03440	2.2
59.01386	53.6
59.32083	1.0
61.98821	5.5
63.13935	1.0
64.41809	0.9
71.01376	4.0
73.02958	1.3
85.02934	4.0
87.00874	2.1
89.02448	1.9
92.30793	1.3
93.03449	67.3
99.04498	2.0
101.02464	1.6
108.02179	1.3
111.00989	1.0
121.02946	1.2
122.03710	1.1
123.04525	1.0
135.08116	1.0
137.02435	100.0
137.09705	5.5
138.03201	1.1
138.27220	0.9
149.02486	1.6
150.03250	9.3
153.05528	1.3
154.58920	1.0
158.54393	1.0
161.09747	2.3
165.05498	12.5
166.99811	1.1
179.10759	2.4
181.08656	7.2
182.02165	4.7
187.11337	1.5
195.06654	7.0
197.04541	6.3
197.11850	17.1
223.09721	1.8
241.10773	8.5
370.15955	1.2
413.10928	9.2
430.18018	1.5
431.11780	9.2
559.63641	1.2
592.23267	1.6
596.19598	1.0
625.79596	1.3
655.22565	71.4
656.22772	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	657.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09670	0.2
59.01380	0.6
61.07547	0.2
64.39894	0.3
71.01379	2.2
73.02931	0.5
78.95889	1.5
81.03422	0.4
85.02940	3.1
85.45344	0.3
89.90932	0.3
92.12270	0.3
93.03462	0.5
94.61096	0.3
95.01362	1.1
96.96962	0.5
99.00848	0.4
101.02413	1.1
101.74918	0.3
104.83813	0.2
107.37546	0.3
108.02171	68.7
109.02958	21.5
113.02428	1.2
121.02942	0.5
123.00856	1.2
123.04527	0.5
127.05130	0.5
128.03517	4.2
130.29779	0.3
133.02953	0.6
151.02823	0.3
151.04010	1.6
152.01158	63.3
153.01938	24.4
160.05150	0.3
163.04027	1.7
164.17545	0.3
165.01927	1.5
174.06596	0.3
180.06647	1.4
195.04800	0.3
197.02956	0.3
223.01344	1.1
280.00540	0.3
303.07028	0.6
309.10898	1.5
315.07260	100.0
316.07605	2.8
346.01501	0.3
346.05566	0.6
346.11536	1.3
346.15479	0.3
347.06442	6.3
347.12265	0.5
355.48578	0.3
365.06760	0.4
380.19193	0.3
480.80963	0.3
657.17401	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	657.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78826	0.5
56.25766	0.5
57.03455	12.1
59.01109	0.9
59.01390	22.4
61.98838	0.7
63.02390	3.1
65.00325	11.2
65.44670	0.5
67.34618	0.7
68.99824	0.7
71.01390	6.8
73.02909	3.1
75.00878	1.1
83.01396	12.3
85.02966	4.8
89.02435	0.8
92.12392	0.9
93.03464	5.5
96.95985	2.9
97.02944	0.9
99.00878	0.9
101.02446	1.2
107.01393	19.5
113.02424	1.2
113.51774	0.7
117.03466	5.7
119.05025	42.9
125.02441	79.4
126.63618	0.6
137.09746	1.2
143.05016	1.5
145.02953	15.7
151.00372	72.6
161.06064	3.8
165.01865	5.9
169.01425	5.2
177.01921	4.7
185.04149	0.6
185.06061	4.9
187.04005	10.1
223.09708	0.8
227.07161	5.2
271.06143	100.0
385.15012	3.9
389.62970	0.7
475.51566	0.7
511.18298	8.0
657.21735	28.4
657.31952	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32106	0.4
59.01388	100.0
61.98832	2.0
67.80881	0.4
78.95914	1.0
99.00880	1.8
121.02974	0.7
141.01697	40.5
152.99588	0.5
226.88484	0.4
277.21790	3.3
315.70273	0.4
502.29932	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	658.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11388	0.8
54.51797	0.9
59.76920	1.1
61.01859	0.9
61.98831	1.6
73.94460	1.1
78.95897	8.2
116.92858	2.0
122.21699	1.1
124.32384	1.1
140.01135	5.1
171.10246	1.6
196.03912	1.7
199.13406	30.8
279.23303	100.0
280.23663	4.3
325.01553	1.1
396.18109	1.8
464.39761	1.2
475.91214	1.3
481.79617	1.5
531.86383	1.3
658.40887	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33754	0.4
52.11665	0.3
52.89539	0.4
53.77733	0.3
55.01695	0.3
55.01888	5.6
55.25518	0.3
55.31680	0.3
56.51056	0.3
57.03456	20.8
59.01388	2.1
59.69034	0.3
63.02387	0.4
64.35187	0.5
65.00352	0.4
67.01892	2.5
68.99809	1.6
71.01379	4.0
72.99289	0.5
73.02948	0.6
81.82265	0.4
83.01395	11.2
84.02186	2.4
85.02953	100.0
87.00906	0.5
91.01902	6.4
93.03461	2.5
95.01382	0.9
96.96009	2.0
99.00883	0.5
101.02463	0.7
107.33709	0.4
108.02178	18.1
109.02901	3.5
111.00882	26.5
121.02942	1.9
122.03974	0.5
123.00883	7.3
123.04519	29.8
124.01660	7.2
125.02413	3.2
129.01936	30.8
136.01651	2.5
136.98866	0.4
137.02489	1.7
138.03215	0.5
139.00433	0.5
139.40149	0.5
146.03625	0.6
147.03012	4.6
147.04536	1.0
149.99657	1.8
151.00400	1.8
151.04063	0.9
152.01161	19.7
152.02353	0.8
153.01947	0.5
153.05576	0.7
154.99898	1.7
163.04031	2.3
164.04820	3.0
165.05653	0.5
166.02725	5.7
167.03491	55.2
168.00684	1.7
173.00926	2.1
174.03189	2.0
175.04031	0.6
176.04808	0.7
177.05569	1.7
179.07239	0.6
189.02054	0.5
189.05580	1.7
190.02745	0.8
191.03552	0.6
192.04285	11.0
197.04585	1.0
202.02765	0.8
205.05093	0.7
207.06659	13.4
209.02931	0.5
220.03798	2.4
235.06131	39.4
235.99956	0.5
253.05095	0.5
279.05115	9.1
297.06232	5.3
300.78882	0.5
323.04123	3.4
341.05142	3.5
359.06198	1.0
388.95688	0.5
447.09479	0.9
509.09607	2.0
579.22980	0.6
659.21399	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	659.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39815	0.3
51.46815	0.4
55.01886	6.2
57.03458	21.0
59.01386	0.8
65.00336	1.8
67.01880	2.3
68.99819	0.7
71.01391	2.8
72.99311	2.0
81.03448	0.8
83.01386	19.1
84.02168	2.3
85.02950	88.5
87.00872	0.6
91.01883	12.6
95.01357	0.7
99.00878	0.9
101.02442	0.7
106.32973	0.4
107.01347	0.5
108.02175	31.9
109.02953	2.4
111.00884	35.8
118.08663	0.4
123.00890	12.6
123.04517	49.2
124.01658	9.3
125.02446	0.5
129.01938	44.9
131.92952	0.4
136.01666	2.5
136.98793	0.9
139.00362	0.7
147.03001	3.9
147.04546	1.0
151.04068	1.0
152.01160	40.8
154.99886	2.3
163.04002	2.5
164.04800	5.5
166.02711	4.7
167.03497	100.0
168.03848	0.7
173.00948	2.9
174.03249	3.6
176.04814	2.1
181.05191	0.6
189.05580	1.9
190.02716	1.0
191.01981	0.8
191.03519	0.9
192.04300	15.6
202.02728	0.6
207.06650	25.0
220.03700	3.7
233.04613	0.7
235.06133	45.4
261.04050	2.2
279.05127	13.5
297.06201	5.7
323.04224	4.9
341.05118	4.9
359.06049	0.6
373.36902	0.5
381.84995	0.5
509.09387	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	660.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64714	0.4
59.01387	100.0
59.19798	0.4
63.65288	0.5
73.39162	0.5
78.95902	4.2
91.67864	0.5
99.00864	3.1
113.82430	0.5
141.01709	46.2
171.00668	0.6
222.08047	0.7
235.64436	0.5
279.23215	3.8
288.40652	0.6
301.48886	0.6
342.18173	0.6
352.40555	0.5
430.79617	0.6
478.29260	2.2
504.31387	1.9
583.90814	0.6
660.85864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39709	0.4
59.01386	100.0
61.98818	0.4
62.04000	0.3
78.07422	0.3
78.09689	0.3
78.95915	0.9
80.06379	0.4
88.54099	0.3
99.00872	0.5
99.87770	0.3
141.01701	44.2
151.91173	0.4
204.03020	0.4
253.77679	0.4
264.06714	0.4
279.23367	4.1
504.31506	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	661.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03201	0.9
57.03456	22.2
58.05869	0.7
59.01386	45.6
61.78089	0.6
71.01382	35.4
73.02944	31.7
83.01372	3.1
85.02946	11.5
87.00853	1.6
89.02440	35.5
95.01392	3.1
99.00877	100.0
99.04499	3.9
101.02435	16.5
106.85267	0.7
111.00886	0.9
113.02448	21.9
119.03477	1.6
125.02428	4.4
131.03493	9.2
143.03423	1.1
149.04568	21.8
155.03481	1.3
161.04535	7.8
161.09689	1.5
167.03432	0.9
187.11250	4.8
190.10011	1.1
191.04005	1.5
191.05614	19.3
203.05606	4.8
204.11569	1.3
205.12352	5.1
233.06757	7.6
233.11836	1.2
293.08902	1.4
311.09656	1.1
381.19336	1.3
389.23688	0.8
495.46155	0.8
517.22888	25.5
559.23834	6.0
599.27295	1.0
661.27264	62.4
662.27203	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	661.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18440	0.9
52.54884	0.8
59.01106	1.1
59.01388	20.4
68.99790	1.1
71.01360	1.1
73.02932	1.4
77.10265	1.0
85.02967	3.4
94.06579	1.4
97.18407	0.9
101.02407	1.0
101.97007	1.0
102.87776	0.9
106.06647	1.8
107.03775	3.9
108.04550	1.5
110.06109	15.0
113.02444	1.0
120.04570	2.2
120.08187	1.4
121.05331	3.9
122.06126	51.2
134.06122	12.3
136.07707	3.7
139.71577	0.9
144.04558	4.6
146.06161	2.2
148.76567	0.9
152.07132	1.2
160.04068	0.9
160.06432	5.9
161.04808	5.6
162.05667	1.3
170.09738	1.5
174.05597	12.8
178.39606	1.0
180.06674	6.2
182.09872	0.9
186.05666	1.2
187.06401	1.4
188.07211	5.5
201.10277	1.6
203.05952	2.1
203.11913	2.0
206.76826	1.0
211.08794	1.7
213.10396	27.1
215.11972	3.9
223.08743	1.6
224.09578	1.6
225.10345	3.8
226.11128	4.4
235.08928	1.0
235.12219	1.3
236.09569	3.7
237.10384	4.0
238.10977	1.3
239.08159	1.5
239.11900	34.8
240.12622	1.2
241.13477	22.6
249.10268	4.3
251.08299	4.9
251.11960	11.3
253.13483	1.6
261.10345	1.6
263.08215	5.6
263.11932	5.5
264.09058	17.8
265.09869	14.6
266.10654	1.7
267.07837	1.0
267.11346	7.7
276.09079	2.3
277.09799	6.2
278.06955	0.9
278.10477	3.7
279.07825	4.7
279.11395	26.1
280.12231	5.7
281.09283	4.3
281.12491	1.9
283.10898	4.5
285.12476	66.8
289.09875	2.1
290.10620	2.3
291.07791	6.3
291.11435	15.0
292.08560	24.3
292.11823	1.2
293.09348	14.8
293.12991	8.6
294.09927	1.5
295.10745	1.1
301.11948	2.3
303.55640	1.2
305.09402	4.6
306.10172	9.8
307.10919	69.8
308.11685	19.8
311.10419	5.7
312.11298	2.0
313.12183	1.1
314.12750	1.1
321.12677	1.8
322.13135	1.5
328.10895	1.8
328.14536	1.5
329.15668	1.2
330.16214	4.5
333.08871	1.3
335.10580	1.1
340.10666	11.0
343.13092	2.2
344.17703	3.8
345.18591	1.0
346.15775	1.6
350.09070	16.5
351.09906	43.6
351.14084	1.8
352.10434	4.5
354.12338	1.6
354.16324	1.3
356.14188	7.9
357.14780	1.3
358.15652	1.2
365.11453	4.4
368.17825	2.3
370.15686	16.1
371.16351	5.1
372.17136	6.3
374.14868	1.9
382.11990	1.6
383.12665	4.0
384.13626	4.9
384.17676	2.2
396.13690	1.8
397.14264	1.9
398.15021	19.2
399.15723	1.1
403.15372	4.2
412.16711	13.3
413.17657	13.2
418.17883	2.2
430.17737	15.7
431.17767	1.1
432.15701	1.6
433.16574	2.2
444.19229	1.4
447.17926	4.1
448.18823	11.1
456.15573	2.3
457.16672	1.5
462.20309	5.2
474.16901	6.2
481.22272	1.3
491.17596	1.9
492.17679	19.1
493.22470	4.3
506.19308	25.6
507.19324	1.7
511.23639	5.1
523.23560	1.4
524.20325	4.7
535.23486	14.9
538.22064	48.1
539.22601	1.4
553.24664	47.5
554.25061	1.8
556.23779	1.7
567.22833	1.0
573.94281	1.3
579.22675	3.9
585.27075	7.7
597.23578	43.8
598.23254	1.5
611.25092	6.2
629.26270	100.0
630.26349	5.2
643.27515	1.5
661.28979	41.4
662.29071	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	661.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54620	1.9
57.03442	2.6
59.01382	22.4
71.01379	5.4
73.02916	2.7
82.35802	2.4
85.02952	3.5
95.52147	2.5
110.06121	5.9
122.06087	32.9
134.06104	6.2
174.05583	3.5
180.06795	2.9
188.07220	2.9
199.09621	2.7
213.10291	17.8
237.10339	4.1
239.11913	18.6
241.13440	6.1
249.10304	9.5
251.08522	3.6
251.11897	14.8
258.58932	2.8
264.08972	23.5
265.09836	15.4
266.61526	3.2
269.04266	4.0
279.08640	4.0
279.11346	32.3
285.12460	34.7
291.07819	9.7
291.11084	7.6
292.08554	35.9
293.09363	15.1
293.12613	2.9
306.10184	5.9
307.10910	89.1
308.11600	18.7
340.10666	6.2
350.08926	21.4
351.09924	78.5
370.15955	3.5
372.17236	2.9
383.12460	2.7
398.15045	10.4
403.15607	3.3
421.20728	2.5
430.17523	13.5
491.16678	10.1
492.17859	5.9
506.19296	50.1
517.29999	4.0
520.20807	3.8
524.20276	4.6
535.23486	4.9
538.22034	100.0
539.22546	3.7
553.24585	20.1
597.23535	17.1
629.26215	51.7
661.28619	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	661.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31194	0.5
58.00596	1.8
59.01387	65.7
62.89532	0.7
67.38145	0.7
69.61850	0.8
71.01382	50.9
72.99310	3.8
73.02962	1.2
78.95908	0.9
83.01396	5.5
85.02954	8.5
87.00884	9.4
89.02440	56.8
95.01374	3.0
97.06587	0.9
101.02438	23.5
102.34104	0.7
113.02446	21.5
114.78014	0.8
116.92860	1.2
119.03487	20.6
131.03528	1.5
139.43895	0.7
143.03476	5.6
149.04552	1.0
159.29790	0.6
161.04507	5.2
179.05611	14.3
213.63387	0.7
275.41986	0.9
277.21747	100.0
278.22226	1.7
288.92627	0.7
291.23279	4.5
319.22946	4.6
323.09848	24.1
341.10904	42.7
384.45834	0.8
478.29013	0.8
545.56342	0.8
601.32385	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	661.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23791	0.5
50.67106	0.4
55.01890	0.9
57.03461	1.9
58.00602	1.3
59.01387	75.5
62.81501	0.4
68.84369	0.6
69.03453	1.0
71.01381	46.7
72.99321	2.4
73.02950	2.5
78.95897	1.3
81.03487	0.6
83.01387	11.8
85.02952	11.9
87.00871	8.8
89.02441	62.9
90.01118	0.5
95.01379	3.2
95.05306	0.6
97.02956	0.7
99.00874	1.0
101.01761	1.1
101.02429	26.2
101.03073	1.1
102.20238	0.6
106.15842	0.6
106.50546	0.6
109.02931	0.6
113.02449	30.0
119.03493	22.2
125.02482	1.2
131.03485	2.6
143.03506	4.7
161.04529	7.0
179.05624	14.7
245.17924	0.6
277.21744	67.2
278.22073	0.7
291.23322	0.7
319.22736	0.8
323.09869	16.3
341.10916	100.0
342.11209	1.1
465.85077	0.6
490.05334	0.7
601.32495	1.3
611.46521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27086	0.5
54.82657	0.4
55.01867	1.0
57.03446	3.0
58.00597	2.8
59.01387	54.4
69.03446	2.6
70.98692	0.5
71.01384	47.8
72.99300	3.3
73.02949	11.5
75.00890	1.1
78.95886	0.8
83.01394	10.5
84.02155	0.8
85.02465	0.8
85.02954	16.3
87.00874	54.2
89.02441	39.7
95.01385	5.0
95.34572	0.4
97.02933	2.6
97.06541	0.5
99.00871	2.1
101.02438	31.5
111.00867	1.1
113.02447	31.8
115.04012	1.0
119.03501	10.8
123.98242	0.5
125.02433	1.8
125.06048	0.7
129.01964	2.5
131.03491	2.1
139.07663	2.0
141.01968	3.7
143.03496	6.9
161.04559	8.9
179.05608	11.7
186.09538	0.5
259.20697	0.8
261.22278	1.0
263.23746	0.9
273.22183	6.2
277.21744	100.0
278.22043	2.8
291.20123	0.8
291.23334	21.1
291.26437	1.1
301.21649	2.3
319.22791	12.1
323.09872	31.9
331.22791	0.6
341.10928	54.0
342.11346	2.0
349.23798	0.8
459.87701	0.6
579.29132	0.7
601.32343	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	662.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95720	0.4
59.01396	100.0
59.53234	0.4
67.26219	0.5
70.24081	0.5
70.76254	0.4
71.16447	0.5
72.38548	0.6
72.58221	0.5
76.29410	0.5
78.95921	2.4
81.45926	0.5
82.95418	1.0
96.96008	0.6
99.00864	0.6
141.01712	46.5
215.77359	0.6
280.73108	0.5
281.24860	4.8
402.61526	0.6
482.27777	0.7
506.32684	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	663.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00026	0.1
56.80346	0.2
59.01382	0.4
65.90092	0.2
70.48925	0.2
79.71141	0.2
84.82497	0.2
85.02950	0.8
87.57182	0.2
91.01885	0.7
96.95999	7.9
101.02513	0.2
108.02155	0.2
120.02295	0.2
121.02920	0.8
132.02165	5.9
132.02998	0.6
135.00917	1.4
135.33603	0.2
147.70624	0.2
153.01968	1.0
156.70465	0.2
195.04501	3.3
196.05225	0.7
208.05305	2.6
223.04033	11.8
224.04828	4.3
225.05560	0.2
251.03520	8.2
252.04308	100.0
253.05045	14.4
254.05388	0.3
254.24136	0.2
295.06189	1.0
305.07291	0.2
308.97626	0.2
333.34482	0.2
376.41586	0.2
379.55774	0.3
415.10413	51.5
416.10922	1.5
457.11481	15.2
458.11734	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	663.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79461	0.2
52.69631	0.2
54.82633	0.3
57.03448	0.4
59.01376	0.6
64.45495	0.2
65.13596	0.3
71.01369	0.7
85.02961	2.1
86.26989	0.2
88.04063	0.4
88.35804	0.3
91.01886	0.4
96.96002	19.6
109.14501	0.3
115.00351	0.5
121.02946	1.8
129.01888	0.4
132.02158	5.0
132.03026	0.9
135.00845	1.0
136.04037	0.5
139.63760	0.2
153.01927	0.6
164.07114	0.5
193.90834	0.3
195.04567	2.9
196.05325	0.4
208.05309	3.6
220.87450	0.3
223.04015	10.9
224.04793	4.0
236.33986	0.3
251.03526	8.0
252.04291	100.0
253.05052	14.8
254.05241	0.3
275.06702	0.5
295.06177	1.3
399.75531	0.3
415.10400	52.1
416.10797	1.1
457.11536	11.1
458.11914	0.5
625.49237	0.3
685.47192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.8
57.03452	24.1
59.01375	3.4
64.34400	0.7
67.01883	0.9
71.01370	7.9
72.99310	1.6
73.02930	3.5
75.00854	1.5
75.14848	0.8
83.01376	11.7
84.02134	1.7
85.02935	100.0
86.25939	0.6
99.00887	0.8
101.02424	6.5
104.60365	0.7
111.00860	29.9
117.75513	0.7
119.04995	13.6
128.03523	3.2
129.01918	37.5
145.02959	1.5
147.02980	1.2
147.04555	1.7
149.21790	0.8
153.44856	0.8
161.04567	3.6
163.03990	11.5
164.07260	1.4
185.18161	0.7
187.02438	1.2
196.93373	0.8
205.03539	29.4
223.04611	40.9
293.11447	0.8
351.67343	0.7
369.08255	22.2
370.08841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46174	0.6
53.83145	0.5
55.01875	0.6
57.03447	1.1
57.21735	0.5
59.01110	0.9
59.01382	17.7
61.98812	0.5
64.69329	0.5
68.99785	0.8
71.01376	10.7
72.99292	2.9
73.02934	3.5
75.00863	1.2
75.58701	0.5
76.58245	0.7
83.01380	3.2
85.02946	7.8
87.00858	0.7
89.02431	6.1
92.11673	0.6
94.02961	2.7
95.01369	0.9
99.00862	3.9
99.85471	0.6
101.02419	5.8
108.04564	1.3
110.06094	0.7
113.02442	7.8
117.03463	6.7
119.05013	86.0
122.06120	10.4
125.02470	1.1
131.03476	1.1
134.06071	1.1
136.04050	5.1
136.07664	11.6
138.05594	3.4
144.04579	1.1
145.02957	25.4
146.06119	1.1
150.05623	11.0
152.07133	1.2
153.09111	1.2
161.04588	2.5
163.04007	100.0
164.04298	1.0
176.03426	0.7
186.09235	3.8
199.06398	0.8
201.06659	3.1
201.08243	0.7
202.07425	2.6
203.05835	1.0
204.06738	0.7
205.12367	4.8
212.10869	1.4
213.06531	0.8
214.07228	1.0
214.09004	0.8
215.08315	2.6
221.06685	1.0
226.05048	2.2
228.10291	3.1
229.09798	16.3
230.12001	9.3
240.06668	1.3
240.08971	0.6
241.07417	1.1
244.08609	0.8
245.07117	0.7
245.09285	5.7
255.11369	5.4
257.09296	8.5
258.10083	1.4
269.04797	0.9
273.12460	20.7
274.10611	0.8
299.10425	0.6
301.11996	0.6
317.11484	14.5
335.12524	72.7
336.12982	0.7
349.07867	2.2
363.13370	0.8
439.14893	4.3
457.16211	12.6
499.21771	2.3
517.22827	1.4
519.24554	0.7
631.23621	1.4
632.30652	1.3
632.80695	9.8
633.30762	5.4
633.81128	0.9
641.30115	0.8
645.25769	1.4
662.81000	0.8
663.26654	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	663.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
59.01112	0.8
59.01393	18.7
61.66346	0.6
64.34658	0.6
65.83852	0.6
68.11959	0.7
68.99800	0.8
71.01382	1.3
79.14659	0.7
84.84521	0.7
85.02978	1.1
85.08810	0.9
89.02469	1.1
94.02974	3.9
94.06599	1.7
94.63038	0.7
95.05057	0.7
101.02402	1.4
106.06630	1.0
108.04530	4.5
110.06134	8.2
113.02424	1.2
120.04527	0.8
120.08193	3.1
121.05354	1.3
122.06128	14.5
124.04034	4.8
130.06648	0.8
136.04022	5.1
137.04822	1.4
138.05598	5.2
144.04585	1.4
147.05675	5.2
150.05618	7.9
154.34485	0.7
160.04013	0.9
161.03548	2.5
161.04807	3.4
162.05626	1.4
163.06432	0.9
168.06670	1.5
173.53687	0.8
174.05640	6.0
175.05110	5.0
186.12946	0.8
201.10364	27.7
203.05804	2.3
203.12019	0.8
211.08942	0.8
213.10353	12.0
214.10921	0.9
215.11868	1.1
217.09796	1.1
226.07600	1.0
226.11040	0.9
227.08255	1.0
227.11852	5.6
229.09857	26.5
229.13408	11.3
236.09590	1.3
237.10358	2.8
239.11914	10.9
241.09843	4.2
243.11414	0.7
245.12970	3.0
247.10924	3.3
248.99960	0.7
251.12068	0.8
253.09941	1.0
255.11394	7.6
257.13025	7.5
265.09787	0.9
267.11401	4.0
269.04492	3.6
271.10944	1.3
273.12473	5.9
277.09753	1.0
279.11520	1.5
281.09116	0.9
283.10895	4.6
287.10443	0.8
289.12030	7.0
291.11469	1.0
301.11960	30.3
308.67197	0.8
309.12527	0.9
311.10175	1.1
319.13043	100.0
320.13385	1.0
327.13553	5.7
329.11810	1.3
330.12482	3.6
342.12631	1.4
343.13147	4.4
344.14114	1.7
345.15503	1.4
346.11923	1.3
346.15594	1.1
358.15634	2.8
359.12717	0.9
370.11670	1.0
370.15683	3.2
372.13541	4.5
376.16769	1.5
377.13574	1.3
379.19400	1.0
386.15369	6.6
387.15839	3.4
388.16641	6.9
390.14612	2.3
400.16772	1.3
403.15088	1.2
404.16269	13.0
405.17136	3.7
406.17883	2.9
414.14529	2.9
416.16269	1.8
418.13947	2.8
419.15033	1.3
428.16324	3.6
429.17172	1.2
432.15445	8.5
437.15958	6.3
446.17136	6.7
447.17880	2.9
487.77374	0.8
509.22034	1.0
515.23193	1.3
519.25714	0.9
523.18665	0.9
527.22943	7.3
539.22565	1.0
545.24146	12.7
551.23126	1.5
552.26904	1.0
557.24091	1.2
569.24078	11.0
587.25171	39.9
590.23907	3.5
601.23151	1.3
613.23279	7.4
631.24200	66.1
632.24207	1.2
633.26324	1.0
645.25745	4.8
663.26807	48.5
664.27600	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	663.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13068	6.7
55.01905	7.0
57.03451	41.7
59.01398	79.8
60.61607	6.4
64.93043	7.3
67.39666	5.8
71.01369	49.4
73.02946	6.8
85.02937	17.1
101.02432	41.0
113.02417	27.3
125.02440	12.9
241.93010	8.3
308.75424	7.2
412.65231	7.8
519.31891	100.0
561.32819	39.5
663.36682	10.7
666.76880	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	663.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82870	0.6
57.03465	0.7
58.00592	1.4
59.01387	65.0
61.98837	9.2
69.03468	0.8
71.01382	43.2
72.99295	2.7
73.02927	2.4
78.95895	0.8
83.01385	9.8
85.02949	11.5
87.00883	6.2
87.47687	0.6
89.02439	64.4
93.53892	0.6
95.01368	3.7
101.02438	25.4
111.14774	0.6
113.02437	23.4
119.03484	21.5
120.27518	0.6
125.02486	0.9
131.03500	2.9
143.03511	4.3
149.04541	2.4
161.04553	6.3
179.05612	14.4
181.31189	0.5
188.19276	0.6
191.91031	0.7
213.87378	0.6
229.12749	0.6
273.90826	0.7
277.21561	0.8
279.23303	63.4
280.23453	1.2
297.28769	0.6
321.24741	0.7
323.09903	13.9
341.10916	100.0
342.11371	1.0
376.45761	0.6
603.33966	3.7
627.19739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
56.83020	0.3
57.03437	1.7
58.00593	3.0
59.01387	39.2
59.06737	0.4
63.25200	0.3
69.03443	0.7
69.43309	0.4
71.01380	35.9
72.99297	1.9
73.02943	10.9
75.00877	1.5
77.83118	0.4
83.01383	8.7
85.02948	11.7
87.00874	39.7
89.02441	32.3
95.01395	3.9
97.02934	1.9
99.00872	2.3
101.02434	22.5
102.73251	0.4
111.00888	0.7
113.02446	25.9
115.03984	2.2
116.40551	0.4
119.03484	8.7
119.31930	0.4
123.00892	0.4
125.02426	1.0
125.06071	1.8
129.01915	1.7
131.03511	2.1
138.46754	0.5
141.01947	2.3
143.03503	4.4
159.03014	0.6
161.04555	7.4
168.17976	0.4
179.05608	7.4
209.53859	0.4
263.23880	1.0
265.25259	0.8
275.23944	3.2
279.23303	100.0
280.23660	3.3
291.23206	0.8
293.24887	27.2
303.23306	1.7
321.20840	0.4
321.24380	10.8
323.09866	22.9
324.10144	0.5
333.24402	0.6
341.10919	46.2
342.11240	0.6
351.25363	1.0
381.26605	0.6
418.36887	0.5
603.33929	20.5
604.34216	0.9
656.44379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01841	0.3
54.82644	0.4
55.01878	0.8
57.03447	2.2
58.00590	2.0
59.01391	66.0
69.03452	0.9
71.01389	47.6
72.99294	2.5
73.02936	2.5
75.00864	0.4
83.01396	10.9
85.02480	0.5
85.02957	10.0
87.00884	7.5
89.02448	61.4
95.01385	3.5
97.02950	0.9
99.00842	0.5
101.02441	23.6
112.89373	0.4
113.02448	28.4
115.03925	0.5
119.02666	0.8
119.03494	18.5
125.02442	0.9
131.03535	2.6
141.01933	0.4
143.03470	5.5
149.04521	2.0
161.04550	5.1
179.05603	13.7
268.83475	0.4
279.23297	69.6
280.23737	2.0
293.24945	0.9
321.24463	2.3
323.05975	0.5
323.09863	16.0
341.10901	100.0
342.11304	1.6
530.16565	0.4
603.33691	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	663.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64228	0.2
55.01878	1.2
57.03451	2.8
58.00599	1.4
59.01386	79.4
61.98833	1.6
64.11100	0.3
68.99806	0.4
69.03454	0.5
71.01382	49.3
71.73141	0.3
72.99315	1.5
73.02955	3.4
75.00893	0.4
80.50850	0.3
83.01015	0.3
83.01389	14.0
85.02948	10.9
87.00874	8.5
89.02441	62.4
95.01389	4.3
97.02955	0.6
99.00838	0.7
101.02436	23.6
111.00874	0.5
113.02447	26.3
116.73737	0.3
119.03487	19.2
125.02448	0.6
131.03476	2.6
132.05293	0.3
137.82314	0.3
140.68092	0.3
141.01945	0.6
143.03500	5.3
149.04524	2.1
161.04570	6.9
172.12384	0.3
179.05618	14.4
195.33305	0.3
209.25076	0.3
254.75803	0.4
277.21695	0.7
278.22192	0.4
279.23303	76.2
280.23639	2.0
293.24854	0.7
295.44394	0.3
317.73788	0.4
321.24454	1.4
323.09851	17.6
341.10919	100.0
342.11212	1.4
382.91461	0.4
603.34235	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	664.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52393	0.6
51.20060	0.5
58.02989	0.9
59.01389	7.3
62.97904	0.6
71.01386	12.0
75.26691	0.6
81.27615	0.7
82.02985	6.0
84.04568	1.0
85.03013	1.0
85.04077	41.2
85.95189	0.6
86.02486	1.3
87.05639	12.1
88.04039	9.3
89.02396	0.7
91.01885	3.2
91.15844	0.6
92.03934	0.7
95.28403	0.6
96.96031	1.3
101.02426	0.7
102.00184	8.0
102.03506	2.9
102.05618	1.1
109.04063	4.0
110.06124	3.4
113.03609	0.9
115.00374	0.8
119.02820	4.6
119.05023	10.7
121.02949	13.7
121.03844	0.9
121.04124	0.8
127.05135	13.1
128.03531	100.0
135.00885	5.9
135.05629	6.7
144.04561	13.9
145.06194	3.7
146.02423	1.3
146.04515	1.2
151.05196	0.8
152.08293	10.4
153.01953	6.0
153.06718	4.3
157.06189	69.6
159.07774	3.4
162.05611	7.6
166.06258	6.2
174.02318	15.9
178.06201	3.2
179.04610	10.4
184.04903	3.2
184.07260	3.1
188.03578	5.6
191.04984	5.5
196.07307	15.7
197.05740	1.6
203.05905	33.5
214.08337	1.7
224.10381	3.2
237.03957	0.7
242.11435	1.0
248.06964	1.1
255.06612	13.1
256.09296	1.1
268.09375	6.8
268.35892	0.8
269.04620	0.9
286.10468	27.1
302.08145	4.5
313.11914	3.5
320.09235	94.2
325.11966	8.5
343.13040	15.4
377.11771	3.5
459.13159	7.7
632.20502	12.5
646.21600	1.2
664.23029	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	664.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52393	0.6
51.20060	0.5
58.02989	0.9
59.01389	7.3
62.97904	0.6
71.01386	12.0
75.26691	0.6
81.27615	0.7
82.02985	6.0
84.04568	1.0
85.03013	1.0
85.04077	41.2
85.95189	0.6
86.02486	1.3
87.05639	12.1
88.04039	9.3
89.02396	0.7
91.01885	3.2
91.15844	0.6
92.03934	0.7
95.28403	0.6
96.96031	1.3
101.02426	0.7
102.00184	8.0
102.03506	2.9
102.05618	1.1
109.04063	4.0
110.06124	3.4
113.03609	0.9
115.00374	0.8
119.02820	4.6
119.05023	10.7
121.02949	13.7
121.03844	0.9
121.04124	0.8
127.05135	13.1
128.03531	100.0
135.00885	5.9
135.05629	6.7
144.04561	13.9
145.06194	3.7
146.02423	1.3
146.04515	1.2
151.05196	0.8
152.08293	10.4
153.01953	6.0
153.06718	4.3
157.06189	69.6
159.07774	3.4
162.05611	7.6
166.06258	6.2
174.02318	15.9
178.06201	3.2
179.04610	10.4
184.04903	3.2
184.07260	3.1
188.03578	5.6
191.04984	5.5
196.07307	15.7
197.05740	1.6
203.05905	33.5
214.08337	1.7
224.10381	3.2
237.03957	0.7
242.11435	1.0
248.06964	1.1
255.06612	13.1
256.09296	1.1
268.09375	6.8
268.35892	0.8
269.04620	0.9
286.10468	27.1
302.08145	4.5
313.11914	3.5
320.09235	94.2
325.11966	8.5
343.13040	15.4
377.11771	3.5
459.13159	7.7
632.20502	12.5
646.21600	1.2
664.23029	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	664.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57594	0.2
57.57647	0.2
59.01387	1.3
61.98838	100.0
71.01409	0.3
78.95921	0.6
86.49738	0.3
92.11752	0.5
94.26115	0.2
113.02460	0.3
119.50886	0.3
119.99127	0.3
125.02724	0.3
154.45061	0.3
214.85353	0.3
279.22614	0.6
292.23709	0.3
298.40845	0.3
298.80026	0.3
360.29904	0.3
456.13815	0.3
598.38019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01367	0.3
56.26456	0.3
58.41277	0.3
59.01395	1.3
61.98843	100.0
63.76670	0.3
70.89431	0.3
74.93107	0.3
78.95914	1.5
116.92868	0.4
153.59366	0.3
301.23984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	100.0
62.87785	0.5
71.38582	0.5
72.44115	0.4
78.95914	0.9
82.54127	0.4
92.12327	0.7
97.52514	0.5
112.37560	0.6
141.01701	44.5
141.55516	0.6
283.26456	3.8
417.45288	0.5
508.34125	2.1
547.50623	0.6
612.08606	0.7
620.10175	0.5
625.22064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08223	0.3
51.64571	0.3
52.73365	0.3
57.03456	4.0
59.01111	0.4
59.01389	10.9
68.18150	0.3
69.03433	0.4
71.04310	0.3
73.92622	0.3
78.95905	17.8
79.96020	0.3
80.02681	0.4
83.05014	0.6
95.05019	0.7
97.06577	12.3
97.19011	0.4
105.63351	0.3
106.53794	0.4
122.98550	5.4
123.08165	6.8
125.09715	100.0
125.31782	0.3
126.10090	0.5
131.15588	0.4
134.98546	0.8
141.01732	4.9
152.99619	3.5
168.04329	4.2
169.08710	3.6
176.50131	0.4
185.11838	3.0
187.09769	5.0
201.11354	46.8
202.11649	0.4
216.47458	0.4
224.06944	3.0
254.92676	0.4
255.23325	67.2
256.23596	0.7
283.26404	0.4
391.22766	0.5
462.30185	0.7
480.30930	4.5
605.34668	7.1
606.35065	0.6
620.38947	0.4
664.42072	24.3
665.42169	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	665.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82700	0.3
59.01377	2.0
71.01373	0.4
76.27006	0.3
85.02979	0.4
85.19338	0.3
91.18323	0.4
94.02964	3.2
95.01394	0.6
95.45516	0.3
96.04591	0.4
107.05161	0.4
109.02938	3.7
110.06111	0.4
111.00896	0.4
120.08177	2.9
121.02953	0.6
122.06097	0.8
123.00896	3.3
123.04553	0.6
124.01571	0.4
125.02470	1.7
137.02451	14.8
138.03261	0.5
138.05586	1.8
139.00394	0.5
139.03967	0.6
146.06169	0.4
149.02451	1.8
150.03239	0.5
151.00372	24.1
151.04015	2.2
152.01164	2.1
152.04793	3.4
152.07014	0.3
153.05618	0.5
159.04501	0.5
160.92119	0.5
161.02452	0.5
162.03178	0.5
163.04066	0.5
164.04828	0.3
165.01915	1.6
166.02719	79.9
167.03528	3.6
175.03979	2.1
177.01976	4.1
178.02605	0.4
179.03510	0.7
179.07056	0.4
181.05078	91.6
182.05472	0.6
184.03789	1.5
190.02675	0.5
190.06351	1.4
191.03546	0.7
192.04315	2.1
193.05005	0.7
195.02940	0.4
205.05087	1.7
205.08742	1.4
207.06660	2.3
209.04706	0.5
219.06525	0.5
233.08084	0.5
237.10321	0.5
251.11835	2.3
269.04617	0.5
276.08981	0.4
277.09818	2.0
278.10703	0.6
279.11002	0.4
291.11353	2.7
292.12204	2.1
293.13034	2.0
301.07147	0.7
314.07950	0.5
324.11157	0.6
329.10208	0.5
336.11328	0.7
341.10172	0.5
359.11383	2.9
369.10092	0.6
371.15384	0.6
372.17096	0.5
387.10880	24.2
387.15906	0.8
402.13303	10.1
414.17999	0.5
417.15607	100.0
418.16043	4.1
476.18665	0.5
508.21140	3.2
573.23633	0.8
605.26202	2.4
615.24725	0.6
633.25702	3.1
647.27179	1.8
665.28210	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2154
Annotation	fagopyritol A3
Peak:m/z	Relative Intensity
54.82713	1.3
57.03446	2.3
58.00599	2.0
59.01385	100.0
71.00984	2.4
71.01379	71.9
72.99290	2.5
73.02944	14.0
83.01369	2.4
85.02941	14.7
87.00867	27.5
89.02437	98.1
95.01369	6.8
97.02946	5.2
99.00856	2.5
101.02435	74.4
109.02969	1.9
111.00813	1.8
113.02443	39.4
119.03494	18.8
125.02432	9.0
131.03452	5.8
143.03517	14.8
161.04514	10.3
179.05617	40.6
185.04794	1.4
200.32480	1.2
203.05603	9.4
215.37964	1.2
221.06693	21.5
235.08250	1.8
286.89465	1.4
341.10901	24.5
369.92258	1.2
383.11996	80.6
413.12570	1.8
425.13086	2.0
443.14380	12.1
485.15247	17.0
665.21594	73.2
666.21838	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2153
Annotation	fagopyritol A3
Peak:m/z	Relative Intensity
57.03444	4.1
59.01388	100.0
69.22748	1.6
71.01382	65.2
71.26741	1.6
72.99306	3.8
73.02959	12.5
78.95909	15.8
83.01375	7.4
85.02952	23.8
87.00871	19.7
88.04037	2.2
89.01880	2.9
89.02441	88.0
96.96962	10.8
99.04526	3.4
101.02438	56.7
111.00893	1.8
113.02449	30.6
119.03491	18.1
119.05035	3.9
123.53449	1.8
125.02409	9.8
127.05123	7.4
128.03523	36.3
131.03549	2.1
136.91049	1.7
143.03543	9.8
161.04587	15.9
161.08170	2.7
163.04031	3.7
167.04683	7.1
179.05632	27.3
180.06657	20.6
191.48619	1.7
205.48177	2.0
221.06682	19.4
263.07654	2.8
291.09854	7.5
309.10922	23.4
321.15192	1.9
322.08386	2.0
323.02881	12.0
323.09802	5.9
323.13495	31.8
341.11053	22.6
355.07001	2.2
383.12006	63.1
390.48361	1.7
443.14105	7.7
485.15274	7.8
665.21570	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2148
Annotation	fagopyritol A3
Peak:m/z	Relative Intensity
54.82382	1.9
55.01867	1.7
57.03437	2.9
59.01387	100.0
62.44876	1.9
65.49075	1.4
65.90789	1.5
66.96432	1.6
67.54065	1.4
69.03461	1.3
71.01384	79.1
71.02385	1.4
72.99316	2.4
73.02942	13.3
78.95909	6.7
83.01379	2.2
85.02948	20.9
87.00875	25.0
87.04518	1.8
89.02443	100.0
95.01392	2.1
96.96926	1.8
97.02930	3.9
99.00871	2.7
99.04499	9.0
101.02438	71.0
108.09840	1.5
109.02968	2.2
113.02441	35.7
115.04005	3.7
115.33736	1.6
117.05544	1.9
119.03471	17.1
125.02426	8.3
127.05132	3.0
128.03508	15.3
131.03490	3.3
131.22966	2.0
143.03525	14.7
149.04524	2.3
160.67235	1.6
161.04575	15.8
161.08194	31.0
179.05612	36.6
180.06664	8.2
191.01993	1.7
203.05650	12.2
221.06691	21.4
281.08823	2.7
309.10938	9.1
323.02808	6.4
323.09702	1.8
323.13391	2.7
341.10861	22.6
349.83368	1.9
383.11966	67.2
443.14133	16.2
485.15079	15.2
665.21509	70.3
666.21484	2.1
671.34473	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	665.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50581	0.3
55.01879	2.5
57.03439	2.3
58.00589	0.5
58.45229	0.3
59.01386	35.7
64.34966	0.4
71.01384	24.0
72.99303	2.2
73.02935	3.7
83.01385	3.4
83.04985	0.4
85.02470	0.6
85.02951	12.2
87.00867	2.0
89.02441	20.8
93.35714	0.4
95.01360	1.9
96.95995	0.6
98.19994	0.3
99.00867	2.6
101.02436	21.6
102.02766	0.4
111.04497	0.5
113.02443	9.1
119.03488	7.8
121.02940	1.6
123.04513	0.4
125.02442	0.7
128.87903	0.4
131.19435	0.4
133.06587	4.3
143.03459	0.7
145.01485	0.5
149.04587	0.6
150.16476	0.4
159.03094	0.4
161.04591	1.8
161.53177	0.3
171.11832	0.5
179.05629	2.0
189.12836	1.4
191.01978	1.7
219.13834	0.7
221.04570	1.7
237.14938	1.4
341.10764	0.7
347.93631	0.4
380.26450	0.5
383.12024	2.5
443.19290	100.0
444.19537	4.8
467.19156	3.0
665.21570	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
56.53606	0.4
57.03444	1.1
59.01388	34.2
71.01382	22.6
72.00921	1.8
72.99321	0.7
73.02950	4.1
74.01685	0.4
83.01390	4.1
85.02959	9.5
87.00895	0.6
89.02438	17.8
95.01373	2.0
96.95995	2.7
97.55615	0.4
99.00893	0.9
101.02441	18.9
103.92033	1.0
111.04475	0.7
113.02465	10.4
116.05070	1.2
119.03493	8.2
127.94440	0.5
129.95967	1.7
130.06625	3.9
133.06609	2.1
142.06549	0.7
143.03496	0.8
144.04567	0.9
157.07675	1.0
161.04567	1.1
179.05727	0.7
189.12798	0.9
203.08295	2.7
213.01289	4.2
218.96947	0.6
219.13873	0.8
221.04704	1.1
228.97089	0.6
229.00885	0.7
275.01221	1.0
364.00153	0.5
386.08392	1.0
399.11127	0.7
443.19302	100.0
444.19705	4.1
461.09314	13.9
462.09705	0.6
467.19296	2.6
482.91571	0.5
665.19873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11106	0.6
50.76593	0.6
59.01371	4.5
75.10802	0.7
75.68750	0.8
82.02986	7.5
86.33614	0.7
92.05032	0.7
94.02977	100.0
94.06590	1.3
96.04558	7.9
101.41158	0.8
105.05802	3.5
107.03763	1.2
108.04545	5.6
110.05383	0.9
110.06119	18.0
120.08185	90.4
121.05296	3.0
121.08532	1.1
122.06116	31.4
124.04012	1.4
134.06129	4.3
136.04056	2.9
137.04771	3.2
138.05609	45.1
144.04539	11.7
146.06078	1.0
150.05589	4.1
152.07132	3.4
160.04054	1.8
161.04828	1.8
162.05685	5.5
164.07137	7.8
172.07701	1.1
173.04842	1.0
174.05595	9.1
187.06398	0.9
188.03525	4.7
192.53784	0.9
199.08757	1.7
200.07176	1.2
201.10454	0.8
203.05908	16.0
203.11958	1.1
204.06728	1.7
210.08075	0.7
213.10513	1.1
215.11978	8.3
217.13402	1.2
221.10902	0.9
222.07968	3.0
223.08772	7.0
223.12401	1.7
225.10388	1.8
225.14059	3.0
227.11905	0.8
236.09557	10.7
237.10364	12.5
238.11104	3.7
239.08243	1.5
239.11943	6.4
241.13522	1.3
247.08922	1.0
248.09457	3.6
249.10355	8.3
249.13977	3.6
250.07518	3.5
250.11038	6.4
251.08211	2.6
251.11909	62.7
252.12595	5.0
253.09975	2.9
253.13474	1.4
255.11392	1.3
256.95175	0.8
257.13004	1.7
259.10843	1.5
261.12506	4.2
262.07407	1.8
262.11142	1.3
263.08322	12.3
263.11880	11.8
264.09009	15.8
264.12567	3.4
265.09854	5.5
265.13458	15.7
266.10617	4.3
267.11438	3.0
268.08444	4.3
269.09323	1.6
269.12964	1.1
271.11188	0.9
275.08270	1.0
275.12024	0.9
276.08990	11.8
277.09836	64.1
278.10562	22.9
279.11429	10.8
281.09277	5.3
282.10141	6.0
283.11087	6.6
284.11447	1.1
289.09982	1.0
290.10693	1.0
291.11414	69.8
292.12201	74.6
293.09784	2.0
293.12976	57.8
294.10550	0.9
294.13657	5.3
295.10916	3.3
296.11703	3.1
303.13541	4.9
311.10443	2.7
311.13824	1.7
313.11835	6.1
317.09189	1.0
319.10846	5.1
323.10291	1.0
324.11179	13.7
324.14587	1.4
325.11923	6.6
325.15555	1.5
326.12698	1.2
330.12558	1.0
332.14053	1.2
335.10428	19.9
336.11188	31.0
337.11957	18.4
338.12424	0.9
343.13120	1.9
344.13934	3.2
345.14896	1.2
346.15729	5.5
348.17383	1.6
356.13934	1.3
358.15619	3.5
359.16614	1.4
360.13327	1.4
360.17215	7.2
361.17932	1.1
362.18893	1.6
372.13263	1.6
372.17255	15.4
373.17865	3.2
374.15009	3.7
374.19110	7.9
379.15546	1.4
384.13388	1.1
386.14572	5.4
386.19302	1.0
388.16656	7.7
388.20892	1.0
389.17404	4.1
390.18390	7.0
391.19223	1.1
392.19675	1.0
400.16556	1.6
402.18561	9.5
403.19095	1.2
404.16144	1.3
406.12927	0.9
406.17911	3.9
414.18329	19.0
415.19016	4.6
416.15753	1.7
418.17789	14.8
429.16806	1.0
432.19379	13.5
433.20160	1.1
436.18884	3.6
440.16382	1.2
441.16772	3.6
444.06610	0.8
444.15674	1.0
446.17291	4.0
447.17953	3.3
450.20303	3.0
457.22437	1.1
458.17294	11.3
459.18054	13.5
467.24884	0.9
469.22229	1.6
476.18301	35.1
476.25162	1.2
477.19159	15.0
478.19846	5.4
490.19968	11.7
508.20923	84.0
509.21515	3.0
511.23422	6.3
529.24518	9.5
541.24274	0.9
553.24683	3.9
555.22467	6.8
571.25812	8.4
573.23584	27.9
574.24359	1.9
575.25513	1.1
585.23761	1.6
587.25330	9.7
589.26788	1.8
597.23682	6.1
603.24445	3.2
605.26221	66.6
606.26550	1.8
615.24664	35.0
617.25507	1.1
629.26196	7.0
633.25726	68.0
634.26068	3.3
635.27106	1.4
647.27393	37.2
648.27448	1.5
665.28363	65.0
666.28870	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	665.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
55.80318	1.1
59.01386	15.6
61.98825	4.3
68.50239	1.0
71.01385	11.6
73.02957	2.3
75.00866	4.9
82.02966	6.2
83.01382	2.6
85.02950	10.1
86.03298	1.2
87.00861	1.5
89.02424	4.6
94.02980	97.5
94.06596	1.6
95.01390	1.5
95.04990	1.3
96.04527	8.6
99.00851	1.7
101.02461	8.2
107.03744	1.1
107.99197	1.0
108.04539	5.2
110.06117	22.9
113.02453	5.5
120.08186	40.3
121.05331	2.6
121.49860	1.3
122.06113	41.7
128.75206	1.3
135.04521	1.2
137.04814	1.9
138.05605	40.5
144.04533	4.7
150.05617	2.7
152.07190	2.7
160.04102	2.3
161.04610	2.3
163.03914	2.3
164.07216	2.5
165.04070	5.5
174.05585	6.8
187.06378	1.6
188.03397	1.1
203.05957	4.6
204.06572	1.8
207.03041	5.6
213.10449	1.8
215.12015	9.0
217.13457	1.4
220.90849	1.2
221.06737	1.5
222.08022	4.5
223.08820	7.5
223.12549	1.3
225.14012	1.8
236.09589	14.3
237.10298	17.0
238.11113	2.1
239.08267	2.4
239.11946	5.9
241.13377	1.2
249.10358	7.5
249.13972	6.5
250.07422	5.9
250.11118	7.1
251.11920	100.0
252.12672	8.9
253.09799	5.5
253.13213	1.5
254.10542	1.9
257.12897	1.5
261.12570	1.9
262.10953	1.2
263.08209	5.8
263.11957	7.2
264.09042	12.9
265.10141	2.9
265.13483	14.3
266.10611	12.6
268.08539	5.7
269.04770	2.0
269.09314	5.3
271.10922	1.7
276.09125	7.9
277.09836	38.0
278.10645	17.5
279.11417	13.3
281.09460	2.7
281.12863	1.1
282.10117	9.8
283.10837	8.6
284.11761	2.8
291.11417	36.3
292.12210	40.7
293.12991	47.0
294.13483	2.4
295.10825	5.6
296.11536	1.8
303.13556	1.5
310.09564	1.8
311.10559	2.4
311.13913	2.0
319.10764	2.2
323.10339	1.5
324.11249	16.6
325.11990	2.1
325.15604	2.1
330.12537	1.6
332.14105	2.1
335.10391	11.4
336.11200	15.1
337.11923	8.0
343.13000	1.4
344.14154	4.3
344.17868	2.3
346.15695	4.0
348.17325	2.4
358.15515	4.4
359.16537	1.8
360.17212	16.9
361.17990	1.5
362.18842	5.1
372.13153	2.2
372.17258	29.1
373.18015	2.6
374.14716	2.1
374.18820	12.8
386.14996	2.3
387.54306	1.3
388.16431	9.2
390.18411	24.1
391.19168	2.6
400.17047	1.7
402.18222	6.6
406.17850	13.5
408.39371	1.7
414.18274	15.9
418.12790	1.2
418.17798	34.8
419.17938	1.7
432.19467	17.1
436.18951	21.8
447.18344	1.8
458.17416	5.9
459.18085	7.0
469.22653	1.9
476.18405	15.7
477.18991	9.4
478.20105	5.1
487.23816	2.5
490.19672	6.5
508.20911	49.9
509.21359	4.7
511.23605	6.3
529.24493	16.4
547.25684	2.6
553.25500	2.1
555.22559	5.7
561.27502	1.6
571.25238	4.7
573.23560	17.1
574.24249	1.8
575.25037	2.2
587.25226	10.5
597.23718	4.7
605.26282	93.2
606.26636	2.4
615.24969	17.9
629.26563	11.2
633.25867	27.3
634.29395	4.4
634.79993	15.1
635.29211	5.1
647.27368	51.3
648.27618	1.3
665.28430	85.5
666.28351	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	665.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.0
59.01387	40.9
60.20591	0.7
60.93496	0.7
63.74156	0.7
69.03436	1.3
71.00985	1.4
71.01379	37.5
73.02946	5.9
78.95883	4.6
83.01385	10.7
85.02948	9.1
87.00872	40.1
88.26353	0.8
89.02441	30.5
92.12526	1.5
95.01376	1.2
99.00867	1.4
101.02437	21.8
109.91035	0.8
111.00890	1.6
113.02449	23.4
115.03972	0.9
119.03477	8.2
125.02441	1.1
129.01955	1.0
143.03525	6.0
150.56664	0.9
152.99557	1.8
161.04544	6.4
179.05611	9.5
255.23238	1.1
265.25333	4.6
277.25018	0.9
281.24863	100.0
282.25204	5.9
295.26453	45.3
305.24927	1.7
323.09872	27.0
323.25940	8.8
341.06900	1.9
341.10916	45.9
342.11307	1.6
347.99133	1.1
428.66757	1.0
605.35522	25.8
606.35547	2.0
608.53674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91851	0.9
56.39788	0.8
57.03460	1.1
57.94075	0.7
58.00595	0.9
59.01116	2.1
59.01387	49.3
71.01382	34.3
72.99282	1.2
73.02962	1.3
78.95889	1.9
83.01382	2.0
85.02929	6.9
87.00852	6.1
89.02442	37.7
95.01391	1.9
101.02433	16.4
109.14185	0.9
112.76990	1.1
113.02464	14.0
115.04078	1.1
119.03490	15.4
129.85034	1.0
131.03510	1.4
143.03525	1.6
161.04536	5.8
161.94821	1.0
174.58537	1.1
179.05602	13.1
194.99371	1.0
281.24875	100.0
282.25180	3.5
295.26422	4.0
323.09854	16.2
323.25934	2.3
341.10938	35.3
352.24353	1.1
366.06085	1.1
374.66772	1.1
488.51236	1.1
605.35406	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	665.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95054	0.9
52.83121	0.9
57.03458	1.2
59.01389	67.8
60.66640	0.9
61.98838	1.3
71.01380	35.6
71.01756	1.5
72.99297	1.6
78.95906	1.9
79.60192	1.1
83.01386	9.9
85.02966	11.7
87.00884	7.8
89.02444	52.4
95.01389	2.2
101.02455	15.1
103.74401	1.1
113.02437	18.6
119.03502	17.6
127.83955	1.1
140.20465	1.1
143.03500	2.7
161.04581	7.1
179.05592	14.9
179.61475	1.1
185.65166	1.2
281.24887	73.0
323.09821	13.9
341.10907	100.0
342.11191	1.8
479.44449	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	665.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50732	4.5
57.03431	24.9
59.01387	100.0
69.28657	5.2
70.11657	5.4
71.01374	9.9
81.59374	5.0
85.02950	7.9
97.30078	5.0
101.02455	10.8
113.02449	9.0
119.83343	5.4
132.97922	6.2
164.18718	6.0
411.86362	6.0
512.79761	6.3
521.33429	96.9
540.03510	6.2
563.34332	31.7
564.34784	7.7
665.37646	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14796	0.1
59.01390	0.3
59.47780	0.1
61.98845	100.0
78.95922	0.3
89.02437	0.2
92.12373	0.4
102.18193	0.2
116.92870	0.2
120.14877	0.1
166.28032	0.2
393.12524	0.2
443.95160	0.2
453.86844	0.2
512.41284	0.2
514.76654	0.2
525.54480	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.3
60.01717	0.1
60.73997	0.1
61.98835	100.0
62.89452	0.1
63.47163	0.1
64.34694	0.1
64.60877	0.1
71.01389	0.7
71.69365	0.2
72.01720	0.2
89.02464	0.8
101.02428	0.2
113.02472	0.2
125.30373	0.2
174.16245	0.2
209.34816	0.2
264.58762	0.2
279.23541	0.7
280.23718	0.3
281.23993	0.2
300.87244	0.2
341.11093	0.6
342.11392	0.3
343.11728	0.3
344.11609	0.2
384.45386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.1
60.01695	0.2
61.98837	100.0
71.01385	0.6
76.88286	0.1
85.02921	0.2
85.61400	0.2
89.02429	1.2
91.02857	0.2
100.71084	0.1
101.02426	0.2
103.12328	0.2
113.02428	0.2
119.03467	0.2
200.94281	0.1
262.40649	0.1
279.23441	0.3
280.23737	0.6
311.27707	0.1
341.11160	0.3
342.11459	0.6
343.11591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
61.98834	100.0
71.01398	0.8
71.01722	0.1
78.95908	0.1
85.02965	0.1
89.01955	0.1
89.02459	0.6
89.86447	0.1
113.02477	0.3
114.02792	0.2
118.99186	0.1
119.03563	0.2
161.04584	0.1
163.56146	0.1
255.23412	0.2
256.23724	0.1
279.23367	0.8
280.23645	1.1
281.24091	0.7
282.24341	0.1
312.32590	0.1
325.18283	0.2
341.11148	0.1
342.11566	0.2
343.11465	0.2
366.39166	0.1
443.33435	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	666.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98835	100.0
75.29184	0.2
78.03522	0.2
78.70267	0.2
85.02937	0.3
89.02470	0.3
92.11776	0.5
99.05082	0.2
104.84069	0.2
116.53824	0.2
117.56655	0.2
151.97563	0.2
163.75256	0.3
197.05519	0.2
279.23315	1.9
280.23785	2.4
281.24088	1.2
282.24374	0.4
391.25394	0.3
452.42859	0.3
462.12933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.8
61.98836	100.0
71.01384	0.7
78.95895	0.1
85.02962	0.2
86.48914	0.1
87.00880	0.7
89.02441	0.3
101.02468	0.3
113.02448	0.2
128.92842	0.2
249.84328	0.1
279.23450	0.3
280.23535	0.9
281.24060	0.3
295.25729	0.2
343.11331	0.2
390.12762	0.1
606.34741	0.2
669.58850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.70364	0.3
63.83636	0.3
64.34636	0.3
76.57848	0.3
85.02941	1.2
95.57028	0.3
99.04494	0.4
109.02939	0.3
111.00856	0.5
121.02994	0.3
123.04501	0.6
134.03741	0.4
136.01707	0.5
137.02441	5.2
138.03249	0.6
139.00389	0.6
145.02983	3.0
147.04498	2.8
151.03996	7.3
152.01128	0.5
152.04778	1.4
153.01953	1.1
161.02451	0.4
161.06065	0.4
162.03157	0.5
163.04019	6.4
164.04791	0.3
165.01938	1.3
165.05496	0.4
166.02728	0.5
166.06381	0.6
167.03481	2.1
173.02444	1.2
173.06041	0.7
174.03223	4.0
175.03992	23.8
176.04771	4.9
177.05550	3.5
179.03502	1.4
180.04282	11.0
181.05075	1.7
184.03851	0.4
188.04768	4.5
189.05580	9.6
190.06361	29.1
191.03474	1.0
191.07133	20.7
192.04303	1.6
193.05064	12.2
194.05840	10.0
198.05295	0.7
203.07129	3.1
205.08710	25.0
206.05879	0.3
206.08965	0.3
207.06630	10.4
208.07423	14.8
209.04620	0.5
222.08908	2.6
223.06200	0.4
223.09833	1.0
269.04407	1.0
329.10373	0.4
359.11337	1.3
361.16568	0.3
374.13824	3.4
389.16086	100.0
390.16504	2.9
400.42633	0.3
419.17056	5.2
600.84039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03192	0.5
57.03454	7.2
59.01377	3.9
62.33625	0.3
63.63396	0.2
65.03960	1.6
69.03464	0.4
71.01370	0.6
71.05000	0.3
74.17051	0.2
77.46439	0.3
80.77807	0.2
80.95809	0.2
81.03448	0.4
81.07062	0.3
83.05017	8.1
85.02914	1.1
87.00862	9.4
87.01389	0.3
87.78246	0.2
88.01231	0.3
92.11744	1.0
93.03422	0.4
93.07037	0.3
95.05004	2.8
96.02127	0.2
97.02962	0.4
98.03719	0.3
99.13364	0.3
101.06038	0.3
104.66101	0.3
105.07052	0.4
107.08617	0.3
109.06564	0.4
111.04500	3.2
111.08143	2.4
113.06090	0.4
119.08640	1.3
121.02927	2.0
121.06583	3.9
123.08141	20.1
124.05289	1.3
129.07117	0.4
133.06593	0.3
133.10197	0.3
134.03729	1.1
135.08177	1.2
137.06084	0.4
137.09706	2.7
138.06792	0.6
139.07648	3.7
145.10216	2.9
149.06073	0.4
149.09665	0.3
151.07643	3.1
153.09181	2.3
159.05782	0.2
159.11818	0.4
163.11288	0.6
165.01888	0.3
165.09190	0.3
169.08754	0.9
169.10223	2.8
171.11792	24.9
175.11284	0.5
177.12769	0.4
178.02692	0.6
185.09740	0.5
187.11241	0.3
189.12848	7.9
193.05006	1.9
195.06668	0.5
201.12857	9.2
207.13924	5.1
219.13876	3.6
225.07614	0.3
233.77493	0.3
237.14972	25.1
238.15378	0.4
240.04318	0.3
255.15933	0.3
268.03738	1.3
280.08105	0.3
281.13956	100.0
282.14310	2.5
283.06076	1.4
293.95551	0.2
301.95050	0.3
413.42923	0.3
414.34891	0.3
572.28192	0.3
589.39697	0.3
598.36102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82570	0.3
59.01377	0.4
61.76023	0.3
61.98833	100.0
72.56007	0.3
74.02461	0.3
85.02963	1.2
91.36411	0.3
92.49540	0.3
98.16758	0.3
116.05051	0.4
139.67036	0.4
185.40341	0.3
188.19246	0.3
202.10078	0.3
202.46056	0.4
250.99348	0.4
309.27597	0.4
324.29907	0.4
407.02356	0.3
443.19284	0.6
464.09964	0.4
493.45947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76566	0.2
55.43175	0.2
57.03458	0.2
59.01389	0.4
61.98836	100.0
83.16940	0.2
85.02962	1.2
92.12309	0.4
101.02434	0.3
116.05005	0.3
194.67264	0.2
289.63083	0.2
443.19626	0.4
444.20062	0.3
474.52194	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48227	0.3
55.01894	2.4
57.03456	16.2
59.01385	7.3
61.98808	0.3
68.96487	0.3
68.99826	0.5
70.21023	0.3
71.01388	3.0
72.99303	1.6
73.02930	2.1
75.00871	1.2
83.01389	3.1
84.02171	2.0
85.02950	100.0
86.03310	0.4
87.00875	0.5
89.02437	0.4
89.46389	0.3
96.92860	0.3
96.96036	0.6
101.02441	1.7
101.20378	0.3
103.00365	1.9
111.00893	3.9
115.00346	0.7
117.83758	0.3
119.05031	2.1
121.02962	5.4
129.01936	6.5
147.02994	10.8
147.04060	0.5
154.26820	0.3
163.04015	2.3
173.00917	1.4
181.55794	0.3
191.01987	23.0
209.03065	7.1
295.04578	0.6
313.05698	15.1
327.05234	0.7
337.05829	0.4
355.06735	9.5
438.46942	0.4
505.86649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	8.8
57.03462	7.2
59.01384	11.9
67.01910	0.7
68.99810	1.0
71.01376	8.4
72.99303	3.2
73.02937	1.7
75.00869	1.0
83.01382	21.2
84.02185	0.8
85.02945	35.8
86.03294	1.0
87.00878	0.9
89.00320	3.4
89.02446	2.8
89.03941	0.7
91.01862	1.3
95.01366	1.6
98.50706	0.6
99.00877	3.1
101.02470	1.3
106.00604	2.7
106.54862	0.7
110.06107	1.4
111.00880	26.3
113.02448	1.0
115.05543	1.3
117.03460	3.6
119.03458	0.8
119.05013	1.0
120.08189	4.2
121.02946	100.0
122.03274	1.2
122.06121	10.5
123.00871	11.7
125.02422	1.0
127.00368	1.4
129.01938	6.8
131.05020	9.7
133.02945	4.0
133.06580	33.9
134.03731	44.5
137.02448	4.2
138.03241	10.4
139.00371	4.5
139.04086	1.5
143.03508	1.0
143.05035	5.4
149.06076	4.6
152.01155	2.6
153.01923	0.7
153.05562	27.4
154.06201	1.3
154.99898	1.1
159.04478	4.6
160.01677	1.6
161.04776	1.6
161.06073	31.7
163.03964	1.0
166.99847	10.7
167.03505	1.0
173.00911	1.4
174.05563	1.1
175.04034	3.8
178.02686	7.7
181.01546	0.8
182.02214	26.6
189.05582	23.7
189.07202	1.2
193.05052	34.5
196.03761	1.0
197.04565	68.1
198.05002	0.8
222.05449	1.6
233.04544	6.8
236.09555	1.0
237.07742	1.5
251.05634	0.9
251.11957	8.8
252.12296	1.1
261.07690	1.2
264.08865	1.2
265.07187	15.1
277.03531	3.4
277.09753	2.9
278.10492	1.6
282.10132	0.7
291.11368	3.4
292.12195	1.1
293.13016	4.4
295.04474	0.7
309.06198	1.0
324.11285	1.0
336.11349	1.1
353.05215	4.7
372.17184	3.3
374.18973	1.0
390.18445	0.7
402.47476	0.8
414.18515	1.1
418.17776	2.8
432.19427	1.6
477.18750	1.0
508.20844	4.0
509.21207	1.2
537.25293	0.8
599.25134	5.3
613.27258	1.1
625.79828	0.9
631.17627	1.0
631.27881	17.2
632.28339	4.4
633.28320	3.9
646.29535	0.8
669.31042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.1
64.33963	0.1
71.01382	17.6
71.68199	0.1
74.90820	0.1
77.03979	0.1
88.26355	0.1
93.03444	0.2
107.04987	0.1
115.00371	9.3
121.02951	100.0
122.03280	2.1
126.90710	0.1
137.02505	0.1
142.66992	0.1
167.03593	0.1
177.51659	0.1
193.05177	0.1
195.06631	0.1
237.04063	10.6
238.04393	0.4
269.04581	1.8
292.37442	0.1
422.59012	0.1
621.89325	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	669.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.2
57.03458	18.5
57.56811	0.2
59.01387	4.9
71.01373	1.6
71.05033	0.5
73.02946	31.2
81.03452	1.2
83.05024	0.4
85.02949	0.4
86.63494	0.3
99.04519	15.1
101.02444	3.7
113.02448	1.3
123.04468	0.4
125.02442	14.2
125.57922	0.3
143.03511	1.3
161.04594	0.5
173.11903	0.3
187.11320	1.4
189.12846	1.5
194.00328	0.4
205.12357	1.5
207.13954	1.2
245.15576	0.7
247.13441	1.5
261.18744	0.4
263.16516	3.8
269.04608	1.8
305.08838	4.1
317.17496	0.7
319.19214	1.2
335.36487	0.3
343.19272	0.3
345.17081	1.9
359.18759	0.5
363.18192	100.0
364.18518	3.7
377.19745	6.6
405.19244	9.4
415.03787	0.4
525.23724	0.4
625.28461	2.1
667.85077	0.3
669.27753	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	669.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24062	0.6
50.74028	0.5
52.80862	0.5
54.82508	0.5
57.03437	3.8
59.01347	0.6
64.34374	0.6
65.79149	0.5
68.29897	0.6
71.95544	0.8
75.74038	0.6
90.65025	0.6
97.06582	15.3
123.08145	9.5
125.09712	100.0
126.09975	0.7
143.10612	0.6
169.08670	3.9
187.09761	44.4
225.11311	0.7
241.02534	0.7
243.12341	4.8
248.53333	0.6
255.23325	35.0
257.35269	0.7
261.13431	7.4
278.91483	0.7
431.23038	3.9
499.36487	10.6
669.45923	56.9
670.46497	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	670.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79142	0.2
55.97013	0.3
60.42311	0.2
61.98837	100.0
71.10516	0.2
71.15103	0.2
78.95915	0.4
82.19331	0.2
84.82709	0.2
106.43388	0.2
108.00146	0.3
235.15253	0.3
243.26468	0.3
248.77187	0.3
253.08162	0.3
475.41660	0.3
540.43970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41270	0.4
62.96407	2.6
70.62796	0.6
78.95901	100.0
92.11797	0.7
92.14010	0.5
94.27764	0.5
95.01398	0.9
96.96000	1.1
96.96939	5.4
99.00849	2.5
99.92581	20.9
100.93336	4.2
115.92067	34.4
116.38285	0.6
116.92858	35.7
120.51556	0.6
120.91354	0.6
120.96944	0.6
134.98514	0.7
142.94421	1.2
148.69322	0.5
148.96390	1.0
150.98007	4.4
152.99590	15.9
163.89769	2.6
164.90477	3.1
178.88448	4.3
179.87611	0.9
179.89220	25.9
180.90018	37.0
181.90808	14.9
184.95354	0.7
190.92056	0.6
193.90691	0.6
194.87891	1.1
196.89494	60.9
204.90088	0.8
205.90814	5.5
206.91531	1.0
212.89108	0.7
218.91550	2.2
219.92400	1.0
221.90245	5.6
224.94920	3.5
225.54929	0.6
227.76552	0.6
231.94905	0.6
234.91005	1.0
235.91954	4.2
236.92647	7.7
237.93257	0.6
241.01256	2.9
242.96046	2.4
244.97539	1.0
249.89670	0.7
255.23320	16.9
259.02121	1.4
260.97122	1.4
264.91919	0.7
301.64963	0.7
304.91629	0.8
306.93414	0.8
323.93442	0.6
324.94299	5.3
341.94531	3.6
371.15479	1.2
411.18176	1.0
419.12869	1.3
435.12552	3.0
475.15704	16.0
476.15726	0.8
491.15186	3.0
492.15900	8.6
571.29260	1.4
573.29663	0.7
591.17212	0.7
635.19421	12.3
671.21552	64.4
672.21667	4.0
681.82422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2208
Annotation	Lembehsterol A
Peak:m/z	Relative Intensity
54.60272	0.2
55.01889	0.4
57.03451	1.2
59.01389	11.2
69.03455	0.3
71.01387	2.0
72.99315	0.5
73.02933	0.5
75.82551	0.2
81.03417	0.3
84.75301	0.2
85.02956	2.6
87.00849	0.3
89.02426	0.4
90.32080	0.2
90.59384	0.2
92.12336	0.3
93.03478	0.2
95.01370	1.0
97.02978	0.3
97.05042	0.3
99.00876	0.8
99.04507	1.1
101.02422	1.1
108.02174	50.4
109.02960	12.2
113.02415	1.7
119.08673	0.8
121.02973	0.5
122.03761	0.3
123.00752	0.3
123.04496	0.3
125.02441	0.3
133.02985	0.3
134.03687	0.4
135.04536	1.1
137.02452	0.3
137.09697	2.4
142.88367	0.2
151.04021	1.2
152.01157	100.0
153.01958	5.9
155.98793	0.2
161.04558	0.9
163.04007	3.4
163.07620	0.3
175.04065	0.3
177.01987	0.3
179.03595	0.6
179.10757	1.0
181.08667	2.3
187.01357	0.2
197.11836	2.5
207.02997	1.2
241.10826	1.0
271.08026	0.3
297.06262	0.3
315.07135	1.1
429.10471	8.9
447.11432	5.9
609.21527	0.9
611.19727	0.4
627.22894	2.9
671.22034	61.6
672.22327	4.5
687.84583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54277	0.2
53.80019	0.2
57.03450	1.5
57.49742	0.2
59.01384	37.1
69.73855	0.2
71.01389	0.3
74.02424	0.3
78.53603	0.2
79.95716	2.5
82.95401	0.3
83.10163	0.2
85.02934	1.6
92.65334	0.3
96.96000	94.4
97.06591	1.0
99.04498	0.3
107.14578	0.3
121.03012	0.8
123.00941	0.5
135.08163	0.4
141.18199	0.3
147.08165	2.0
165.01950	1.3
165.09221	0.5
166.99933	0.3
180.04250	1.4
181.12457	0.3
182.02278	1.1
182.78560	0.3
191.01906	0.3
195.06644	1.0
197.04581	2.2
207.10193	0.3
225.11333	33.7
226.11713	0.5
305.07034	100.0
306.07437	3.0
365.14478	0.4
497.42218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55374	0.7
59.01115	1.2
59.01388	24.2
60.11258	0.7
71.01383	13.2
73.02941	2.0
73.09765	0.8
75.00852	0.9
82.95433	1.3
83.01379	1.5
85.02951	9.0
87.00865	0.9
89.02448	9.6
93.03454	1.0
95.01373	3.9
97.69319	0.8
99.00858	1.5
100.79227	0.8
101.02441	12.3
108.02173	78.8
109.02956	48.7
109.22432	0.9
113.02426	5.8
119.03484	3.6
121.02973	2.0
123.00861	1.1
123.04482	1.5
125.02465	1.5
130.38049	0.8
137.02438	1.0
151.03972	4.1
152.01155	88.5
153.01958	28.7
163.04001	1.7
179.10826	1.6
210.14441	0.9
269.04691	1.3
280.41037	0.8
283.11722	1.2
315.07355	3.8
373.18890	1.3
671.25732	100.0
672.25897	2.1
674.83423	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
57.03445	1.7
57.16812	0.7
59.01386	33.0
61.98829	1.9
69.03465	0.8
71.01380	18.8
71.05021	12.0
72.99310	1.1
73.02942	12.6
73.61042	0.7
75.00864	2.1
83.01376	3.6
83.62560	0.7
85.02950	11.9
87.00873	3.3
89.02445	14.5
95.01370	1.2
96.95996	1.8
97.01706	1.0
97.02937	1.2
99.00872	1.9
101.02441	9.5
113.02448	8.4
117.07083	0.9
125.02413	3.4
131.03500	1.4
143.03535	1.3
157.10193	1.5
161.04568	3.7
173.09702	1.3
173.55948	1.0
183.11758	4.4
185.11848	1.5
185.13371	5.2
199.11256	1.0
211.11255	1.6
213.12859	4.6
229.12376	18.3
239.14388	5.1
241.15979	30.3
255.10390	1.3
257.11801	1.1
259.17026	26.5
260.17441	0.9
265.16101	1.4
267.13858	4.3
269.11819	2.0
273.11206	2.1
283.16995	3.6
285.15005	11.1
303.15918	7.4
309.14917	1.2
327.16122	1.2
329.13950	25.5
330.14096	1.3
343.15628	1.8
347.15015	100.0
348.15176	1.8
371.15009	3.8
389.16141	15.5
449.18234	10.8
509.20374	32.6
510.20917	1.8
609.29480	1.2
610.30762	1.8
610.80273	4.2
671.25604	82.8
672.25641	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	671.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52446	1.2
53.62726	1.3
56.02777	1.3
61.98815	1.5
65.69743	1.3
78.95894	2.0
101.78957	1.7
356.22095	1.7
384.41998	2.1
530.61475	1.7
607.33716	1.6
614.94202	1.8
671.26849	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	672.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00362	1.1
56.76820	1.1
57.13216	1.2
61.98837	1.3
62.46857	1.2
71.01379	6.7
78.95902	2.2
82.02977	5.9
85.04070	31.3
87.05631	8.8
88.04041	3.0
89.81071	1.2
102.00148	2.5
109.04053	1.6
119.02839	5.4
127.05154	6.8
128.03531	60.9
134.89478	2.6
135.05658	2.2
145.06198	1.6
152.08282	2.8
153.06668	2.5
153.49753	1.6
157.06181	39.4
171.02602	1.4
174.02364	8.6
178.06244	1.4
179.04724	2.7
184.07248	2.7
191.04987	6.1
196.07294	11.3
224.10403	1.6
268.09393	2.7
286.10440	10.6
302.08286	2.0
320.09253	100.0
380.99417	1.4
473.83829	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	673.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	7.0
57.03458	4.8
59.01370	2.4
65.00323	0.5
65.23597	0.4
68.99821	0.8
70.32778	0.4
71.01363	2.7
72.99302	1.9
73.19424	0.4
75.00892	0.4
77.55773	0.4
83.01381	13.4
85.02946	27.1
88.00993	0.4
88.98775	0.5
89.00335	3.4
89.02448	0.7
91.01893	2.3
91.51942	0.4
95.01366	2.5
99.00876	0.8
101.02433	0.9
106.00617	3.2
109.02943	0.6
110.00124	0.4
111.00871	19.2
112.76897	0.5
113.02447	0.9
115.05532	1.8
121.02945	100.0
122.03334	0.7
123.00866	15.3
123.04556	0.7
125.02425	2.7
127.00391	0.8
129.01920	4.5
131.05009	8.5
133.02956	2.0
133.06583	26.4
133.07596	0.9
136.98775	0.9
137.02464	2.3
138.03220	8.5
139.00342	4.5
139.04037	0.9
141.01906	0.5
143.05011	3.6
145.03018	0.5
152.01166	0.6
153.05569	34.2
154.99860	0.8
159.04509	4.2
161.06073	25.7
166.99843	12.6
182.02213	29.3
186.74908	0.4
187.04111	0.6
187.09784	0.5
189.05565	16.0
196.03796	0.9
197.04561	73.7
198.05011	0.6
219.55246	0.5
222.05394	1.8
232.46289	0.4
233.04565	6.9
237.07710	2.3
250.04912	0.9
253.05057	1.8
259.02548	0.6
259.06143	2.1
265.07193	14.6
269.04639	2.8
277.03561	1.1
309.06168	0.8
327.07053	0.5
328.16190	0.4
353.05328	1.7
394.10934	0.5
431.10468	0.5
432.01755	0.5
581.40204	0.5
673.22919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.8
69.65565	0.4
71.01371	16.6
85.02939	0.8
93.03425	3.4
95.01347	0.7
96.95988	3.1
107.05026	0.7
109.02920	1.1
114.39339	0.6
115.00358	8.6
118.15604	0.5
119.05012	1.1
121.02930	100.0
122.03743	0.9
123.04493	9.2
134.03737	2.3
135.04501	10.5
136.05251	2.0
137.06036	2.3
147.04544	0.8
148.01643	4.9
149.02417	0.9
150.03244	1.2
150.21318	0.5
151.03993	7.3
155.27341	0.5
161.01257	0.5
161.02409	4.0
162.03220	11.1
163.03993	17.3
164.04533	0.5
165.05594	2.4
167.03493	0.8
169.41084	0.5
175.03995	0.8
179.03430	0.9
181.05066	2.4
189.01950	2.8
190.02699	14.1
191.03508	13.0
193.05026	1.0
203.03491	2.1
209.04562	9.8
218.13335	0.5
220.03772	8.3
221.04526	7.0
237.04033	10.9
239.05608	2.7
241.08591	0.7
243.10371	0.7
269.08273	1.1
271.09680	0.7
283.09796	0.5
297.07654	8.4
297.10699	0.7
299.09155	1.0
307.08716	0.8
315.08789	38.4
316.09061	0.8
327.08640	2.9
345.09814	14.1
346.10077	0.6
357.09943	0.7
417.12012	2.1
435.12982	29.4
673.09906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	10.9
57.88252	0.7
59.01377	4.0
62.18717	0.5
63.02393	1.1
65.00317	5.1
77.11437	0.7
77.72633	0.5
81.03449	4.0
83.01389	6.9
85.02917	0.6
92.12368	0.7
93.03447	5.1
95.01350	0.6
96.21323	0.5
100.82402	0.6
107.01389	9.9
108.02203	0.7
109.02959	1.0
115.21198	0.5
117.03447	3.0
121.02937	0.9
123.04463	1.0
124.01633	1.1
125.02432	85.4
130.04129	0.6
131.04994	1.3
133.02946	3.4
137.02391	1.3
140.32878	0.6
145.02979	0.8
149.02437	3.9
151.00377	29.2
152.01144	10.8
153.01964	8.6
155.04973	0.9
156.05763	0.9
157.06610	2.7
158.03740	0.8
159.04521	1.5
163.00352	4.0
169.01462	0.9
169.06567	1.2
172.05269	2.4
173.06046	7.1
175.03966	2.4
176.01140	8.9
177.05534	5.1
178.99870	10.2
181.06622	1.1
181.08681	0.8
187.07513	0.8
197.06046	3.4
197.11728	0.7
199.04012	3.7
199.07664	2.8
200.04762	1.1
201.05608	8.5
213.05685	1.4
215.07162	9.9
219.06738	0.8
223.09634	0.7
225.05582	5.6
241.05093	6.3
243.06631	11.0
259.06125	93.1
260.06445	1.2
269.04575	100.0
270.04926	2.4
287.05640	63.2
295.46710	0.7
301.69049	0.7
385.14981	1.5
518.03754	0.7
613.18628	1.1
655.20526	3.5
670.36444	0.6
673.21484	58.9
674.21753	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	675.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43970	0.1
55.01900	0.1
57.03461	0.2
59.01382	0.3
62.33484	0.1
62.92656	0.1
71.01382	0.3
73.99418	0.1
79.95737	2.1
81.03481	0.3
83.01374	0.3
84.84496	0.1
85.02950	1.7
86.14906	0.1
91.01881	0.2
95.01389	0.1
96.96001	100.0
97.93153	0.2
99.04506	0.3
101.02435	0.1
105.01302	0.1
108.02172	6.0
109.02951	0.3
111.00880	1.2
113.92624	0.2
121.02966	0.2
122.03738	0.7
122.93794	0.1
123.00939	0.2
123.04511	3.8
127.04019	0.5
129.01935	0.8
129.26846	0.1
134.03746	0.9
149.02457	0.7
150.03227	3.0
151.00398	0.5
151.04025	0.2
152.01149	13.2
153.01924	0.9
162.22121	0.2
164.04939	0.1
165.05556	2.0
166.02734	0.5
167.03488	15.6
171.02988	0.2
181.05110	0.3
193.05034	0.9
195.06619	0.3
207.04527	0.6
209.04619	0.6
235.06102	0.2
297.06235	0.3
311.07672	1.9
315.08728	0.3
345.09906	0.2
363.11020	0.3
388.34482	0.2
479.11987	1.5
507.15298	0.8
589.61096	0.1
675.19269	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	675.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91623	0.9
51.94736	0.9
52.19467	1.1
54.82663	1.1
57.03447	6.3
59.01405	8.2
59.87319	1.0
60.54262	0.9
64.97807	1.2
71.01372	9.5
72.99295	5.5
75.00863	10.5
78.95911	1.8
85.02950	8.3
87.00849	1.6
89.02444	1.6
97.06583	7.2
99.00878	5.6
113.02438	10.5
120.16837	1.2
123.08138	2.8
125.09714	53.1
125.10642	1.8
125.74249	1.2
187.09758	20.4
249.06343	1.4
255.23326	41.4
261.13449	1.5
277.21738	11.7
359.21967	4.7
577.42493	6.3
657.38434	2.4
675.39709	100.0
676.40167	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	677.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70933	0.5
51.35828	0.5
54.59937	0.5
57.03429	0.6
59.01369	0.8
69.03438	4.3
71.01365	2.5
80.97255	0.6
81.03448	1.5
83.01394	1.1
85.02934	1.5
91.01894	0.9
92.09616	0.7
92.12429	2.1
93.03455	0.7
94.95663	0.6
95.01366	8.5
97.02927	4.5
101.02447	1.4
107.01379	2.9
108.02168	3.4
109.02952	2.5
113.02477	0.8
121.02950	2.7
122.03712	1.4
123.00880	23.9
123.04514	5.4
124.01658	39.4
125.02440	51.4
131.29358	0.6
136.01627	2.3
137.02448	6.2
141.01886	0.7
149.02438	7.1
149.99588	58.6
150.03221	21.9
151.00410	6.6
151.04045	0.7
152.01152	5.3
154.59499	0.6
165.01884	1.0
165.05566	15.5
166.99861	12.2
167.03499	14.3
168.00639	96.4
169.01421	12.4
179.03484	0.6
180.04251	2.5
189.97798	0.6
195.06718	0.8
209.04536	0.7
218.50928	0.6
226.22520	0.6
249.46559	0.6
253.05191	1.5
260.93701	0.8
269.04510	4.2
271.06210	1.0
284.84442	0.7
311.07767	8.0
313.05533	2.0
343.85703	0.7
386.45255	0.7
429.88150	0.7
433.11725	0.9
480.08878	1.3
677.17267	100.0
678.17218	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	677.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
56.65391	0.5
57.03452	1.5
57.80038	0.6
58.00583	0.8
59.01387	100.0
64.47157	0.6
69.03478	0.8
70.02102	0.6
71.00987	0.9
71.01384	27.8
71.01761	1.3
72.99310	1.3
73.02937	5.2
75.00862	1.1
83.01395	4.8
83.04987	0.6
85.02947	9.7
87.00873	15.3
89.02442	43.5
95.01378	3.2
96.95996	2.4
97.02948	0.7
99.00870	2.2
101.02434	21.2
103.00368	0.6
107.05062	0.7
113.02454	20.3
114.31470	0.7
119.03502	13.0
120.05875	0.6
125.02458	1.0
131.03496	1.2
141.01897	0.9
141.07103	0.7
143.03513	3.9
148.08907	1.5
149.04535	1.3
150.06889	1.2
161.04565	4.3
161.13362	14.4
163.11183	0.7
179.05594	9.6
185.09746	0.8
185.13397	3.4
187.11293	27.0
201.12836	0.7
203.14389	5.3
205.12358	33.8
207.10278	1.4
219.13911	1.5
223.13496	2.7
229.12305	8.4
247.13501	7.0
249.11382	4.1
282.86673	0.6
291.12561	1.4
309.13452	4.7
323.09900	7.0
341.10901	48.7
351.14542	3.0
371.21399	0.7
381.15469	1.4
396.62671	0.7
411.16669	19.0
429.17712	0.9
471.18759	37.5
529.22894	9.0
534.24774	0.6
573.21814	4.8
591.22833	2.6
633.24139	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	677.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.7
78.95901	59.1
81.43027	0.8
96.96952	13.4
101.79017	0.9
103.28987	0.7
131.73965	0.8
149.21016	0.8
152.99590	56.4
171.10214	1.5
186.63123	0.9
223.00201	1.0
232.37909	0.8
241.01199	33.7
279.23309	76.2
315.04892	6.3
415.22745	1.9
431.04962	0.9
595.28979	100.0
596.29156	5.2
677.37317	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64257	0.4
56.18884	0.4
58.52245	0.4
59.01114	0.9
59.01388	16.8
69.03469	0.8
71.01389	12.9
72.99292	1.1
73.02940	3.2
78.95907	0.7
81.03453	0.5
83.01379	1.3
85.02942	4.7
87.00874	9.5
89.02446	11.3
89.18951	0.5
95.01329	0.6
97.02925	0.9
99.00895	0.6
101.02443	16.4
110.49397	0.5
113.02454	5.7
119.03495	2.7
124.01639	0.6
124.93079	0.5
125.02422	4.2
139.04048	0.7
142.02725	1.0
143.03516	5.6
152.99580	0.6
157.05103	2.6
159.56729	0.5
161.04590	4.5
168.58707	0.5
179.05624	2.0
193.07220	2.8
246.86906	0.5
263.07706	0.8
279.23318	100.0
280.23715	4.0
293.24902	2.0
303.88947	0.5
307.13693	0.6
337.07428	0.8
337.11459	18.6
355.12521	13.5
446.96680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41446	61.6
52.87570	57.1
63.44282	65.0
70.41522	71.6
78.95900	100.0
118.62862	74.1
129.89928	69.1
137.94057	78.8
200.21788	77.6
252.81343	83.1
275.26328	71.6
304.12769	85.6
410.25879	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	19.4
70.77604	0.3
113.62077	0.4
147.08058	0.4
149.09700	0.4
157.05568	0.4
163.11292	64.4
164.11624	0.8
168.13948	20.1
197.06013	0.5
208.05298	1.8
209.06075	0.4
212.12943	0.4
223.07613	0.7
225.05611	4.1
230.05829	0.4
238.06371	0.4
239.07129	2.2
240.07893	3.7
241.08736	13.3
264.11624	3.3
265.09021	0.5
265.12241	0.4
267.10239	2.3
272.06882	2.1
279.10385	0.7
279.13885	2.1
281.11829	0.8
283.13239	0.5
294.12683	1.8
295.13312	1.5
297.14978	38.4
309.14981	1.3
358.62180	0.4
388.58209	0.4
401.17548	0.8
406.20248	5.6
410.23828	0.4
417.20810	3.4
421.22687	0.8
443.22037	1.7
453.21475	3.1
455.26144	0.8
458.24704	1.7
466.29813	4.6
473.27026	5.5
478.29886	2.0
501.81216	0.4
570.32391	0.5
586.35474	0.7
617.34241	0.5
627.39276	0.5
642.41742	100.0
643.42139	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	679.1524
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
51.20610	0.3
59.01382	0.7
65.00328	0.6
66.48046	0.3
66.76427	0.3
70.63210	0.3
82.02963	0.4
83.01361	0.3
91.04190	0.3
107.01370	1.4
110.35326	0.3
111.65997	0.3
132.02185	0.8
135.00896	1.3
151.00375	2.6
159.04523	0.4
163.00369	0.7
164.01210	0.5
178.99713	0.7
183.04596	0.6
194.08313	0.3
200.04927	0.4
211.04045	2.4
212.04883	0.4
216.46901	0.3
227.03526	47.8
228.03934	1.6
229.05106	1.4
230.11923	0.5
239.03531	1.6
240.04196	0.3
255.03014	88.4
256.03662	6.3
257.04602	0.7
268.03793	1.7
269.04572	2.5
270.04739	0.7
271.05005	0.4
283.02542	0.7
284.03293	100.0
285.03943	11.9
286.04504	0.4
335.12543	0.5
345.82465	0.4
403.98758	0.3
551.08136	0.3
551.58325	0.4
635.16315	56.3
636.16425	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	0.1
59.01395	2.7
60.01724	0.1
60.65581	0.1
63.02408	0.9
64.07795	0.1
65.00037	0.1
65.00294	0.5
69.03461	0.1
71.01395	1.1
83.01373	0.3
85.02943	0.4
87.00871	0.4
88.98789	0.1
89.00316	0.2
89.02449	1.1
91.01891	0.4
95.01365	0.2
99.00901	0.1
101.02438	0.6
102.02742	0.1
107.01382	0.9
113.02449	0.6
117.03428	0.1
118.06785	0.1
119.03510	0.3
121.02963	0.1
123.04468	0.2
130.22235	0.1
132.02148	0.1
133.02948	3.0
135.00893	0.4
135.04535	0.6
149.02438	0.1
151.00385	0.3
153.01907	0.1
155.05075	0.3
157.02951	0.3
159.04507	1.3
161.02449	0.4
161.13359	0.1
169.06572	0.5
171.04486	0.1
173.06154	0.1
176.01134	0.1
179.05678	0.1
180.05782	0.9
181.06598	1.6
182.03773	0.1
183.04497	1.2
187.11252	0.4
188.11617	0.2
196.05275	0.5
197.04526	0.1
197.06133	0.7
199.04012	0.3
201.05585	1.4
205.12318	0.5
206.12688	0.1
213.05603	0.5
223.04005	0.1
224.04823	0.9
225.05591	1.1
227.03488	0.4
240.04446	0.3
241.05101	0.3
247.13469	0.1
268.03876	0.2
269.04568	100.0
270.04904	3.1
291.06775	0.1
325.10553	0.1
335.05957	0.1
335.12527	0.4
341.10782	0.5
342.11218	0.4
343.11545	0.3
412.17285	0.1
413.17224	0.1
471.18912	0.1
472.18771	0.1
473.19083	0.5
531.23187	0.1
635.24634	0.3
639.52972	0.1
648.30225	0.1
648.80347	0.3
649.29907	0.2
668.31165	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	679.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68954	0.2
59.01387	38.1
68.20306	0.2
74.68240	0.2
78.01111	0.2
79.95760	1.0
96.96002	90.6
97.06574	0.5
97.85758	0.3
102.42536	0.2
109.06597	0.3
111.45686	0.2
135.08171	0.9
147.08180	2.2
151.11304	0.3
165.09219	0.5
173.68214	0.2
181.12482	0.3
208.95554	0.2
225.11348	32.7
226.11687	0.4
289.76175	0.3
305.07037	100.0
306.07373	1.9
386.29544	0.2
400.06699	0.2
450.10892	0.2
457.11530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.6
60.47598	0.3
60.53649	0.3
61.87591	0.3
65.66920	0.3
82.03001	0.4
83.01363	0.4
83.05014	1.6
85.02955	0.4
85.33029	0.3
92.65959	0.3
94.02979	3.0
94.06614	0.5
95.05039	0.5
98.02435	0.7
101.02425	0.3
107.03755	0.3
108.04561	3.6
110.06107	0.4
110.82073	0.4
112.70506	0.4
120.04553	1.8
122.06109	14.6
124.04043	2.2
130.53349	0.4
134.06078	2.4
135.06914	0.7
136.04048	5.5
136.07675	16.1
137.04794	0.5
138.05637	2.7
144.04501	0.6
148.04001	0.4
150.05614	12.8
152.07182	1.9
159.11786	0.7
163.08827	0.4
165.75069	0.4
172.07727	0.6
174.05717	0.5
174.09239	2.1
175.05183	0.5
176.03540	0.5
186.09271	6.9
187.11343	0.6
188.10753	0.5
200.05954	0.4
201.06502	3.4
201.08295	0.6
202.07269	3.2
202.09090	0.8
202.12393	3.5
203.05899	1.4
212.10875	2.5
213.06587	1.6
214.07236	3.3
215.08183	5.2
216.08847	0.7
227.03497	5.1
227.11839	0.5
228.10414	5.0
229.09811	22.3
230.12059	12.8
231.11432	1.6
239.08220	0.6
240.09131	1.6
242.06827	0.4
243.11478	3.3
244.08521	1.5
244.12285	0.7
245.09322	9.1
245.13010	1.4
255.02998	10.9
255.11420	5.6
256.03552	0.6
257.09332	15.6
258.10104	2.0
259.10852	5.2
260.11719	0.7
269.04553	0.7
273.12469	29.7
274.10529	0.7
275.10434	6.3
284.03287	13.7
285.03854	1.7
290.12811	2.0
299.10538	0.5
317.11444	20.7
334.11746	4.0
335.12540	100.0
336.12814	3.3
343.13025	1.6
379.25293	0.4
442.04547	0.5
484.01334	0.4
520.51776	0.4
619.24292	0.8
635.16260	5.4
636.16870	0.6
679.26556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.8
62.77758	0.3
71.91576	0.4
72.41134	0.3
72.85693	0.3
74.10947	0.3
83.05033	0.7
92.11525	0.3
94.02982	3.8
98.02473	0.5
106.21864	0.4
106.60304	0.5
107.71935	0.4
108.04543	3.2
110.06148	0.4
110.82093	0.4
120.04539	0.7
122.06109	14.3
124.04024	2.2
134.06099	2.7
135.06894	0.7
136.04028	6.8
136.07671	16.5
138.05600	4.0
148.04025	0.5
150.05592	14.4
152.07162	2.4
159.11810	0.7
162.05574	0.6
163.08777	0.7
174.09238	0.9
176.03452	0.5
185.09705	0.7
186.04382	0.5
186.09248	5.8
188.10838	0.7
197.89203	0.4
201.06543	3.5
201.08261	0.4
202.07158	2.8
202.08841	1.9
202.12396	3.1
203.05867	0.9
212.10817	3.0
213.06657	0.7
214.07399	1.9
215.08165	4.8
216.08929	0.9
227.11864	0.8
228.10339	4.3
229.09816	22.3
230.12006	15.2
231.11493	0.6
239.08154	0.6
240.09036	1.8
243.07675	0.6
244.08472	0.6
245.09352	7.4
245.12906	1.0
253.05040	2.4
255.11366	4.9
257.09274	11.9
258.10117	1.8
259.10870	0.6
273.12463	29.7
274.10468	0.7
275.10327	2.0
317.11432	18.6
332.29904	0.4
334.11838	1.5
335.12509	100.0
336.12903	2.0
343.12933	0.6
432.72714	0.5
449.27777	0.5
583.68292	0.4
679.27063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36100	1.9
55.01882	1.9
57.03452	2.1
59.01385	26.5
70.06545	1.7
71.01382	3.8
80.00446	2.0
82.03005	2.3
83.01402	1.9
85.02927	3.6
89.02410	2.6
92.11712	3.8
93.03443	2.3
94.02975	43.5
96.96017	6.3
97.01689	2.5
101.02396	3.6
102.60911	2.2
108.02148	1.9
108.04570	2.8
113.02325	2.2
120.08192	4.7
122.06114	4.0
124.03985	3.8
124.07667	7.6
134.06116	4.7
136.04001	3.8
137.02397	2.9
138.05580	14.1
144.04541	3.1
146.06184	2.7
147.05743	2.2
150.05621	3.6
152.01146	3.6
160.04048	1.9
161.03601	2.0
161.04799	4.1
162.05582	2.7
174.05553	3.6
186.05510	2.4
188.07196	3.0
190.86440	2.1
201.10352	13.1
203.05963	3.9
213.10219	7.0
215.11847	3.0
223.12556	2.7
227.11990	2.7
229.09811	18.6
229.13402	6.8
237.10330	4.6
238.07469	3.3
239.11888	22.7
241.09813	3.4
249.10246	2.8
251.08115	4.1
251.11867	9.2
252.08618	2.2
255.11360	4.8
257.12875	8.4
263.08340	3.0
263.11761	4.1
264.08966	20.4
265.09665	10.8
266.10571	2.7
267.11322	11.6
273.12503	2.7
276.08975	4.9
277.09811	8.3
278.10501	7.9
279.11389	33.4
280.12146	4.5
281.12894	9.7
285.12491	9.2
291.07938	4.0
291.11328	19.4
292.08563	33.2
293.09286	4.9
301.11914	18.1
305.09094	2.6
306.10175	4.0
307.10876	86.1
308.11676	14.4
311.10843	2.1
319.12997	55.4
325.12714	2.3
327.13568	3.9
335.10278	2.5
340.10623	3.6
344.14276	3.1
350.09033	18.2
351.09909	67.0
352.10495	5.0
365.11465	3.8
372.13461	4.5
377.13876	3.6
383.12372	3.8
384.17279	2.1
384.98718	2.4
386.15060	9.5
404.16028	2.9
414.14481	3.6
416.15982	3.7
430.17734	2.7
431.18399	8.7
432.14703	2.4
432.19730	4.5
435.18561	2.3
437.15912	3.9
446.21362	7.1
447.17999	7.5
458.17212	2.7
464.21973	2.7
475.17529	4.7
476.18314	23.8
490.20001	33.9
507.20438	2.5
511.23819	3.8
522.22546	91.5
529.24359	11.2
553.24194	4.1
564.16705	2.6
571.25818	32.8
585.27118	3.6
587.25287	4.1
597.22369	2.5
603.28113	13.9
615.24792	29.1
617.80048	2.7
629.25916	8.6
647.27283	100.0
679.30255	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52058	0.4
54.23156	0.4
55.01888	0.9
57.03457	0.7
59.01389	100.0
64.34163	0.4
66.89223	0.4
70.47304	0.4
71.01385	9.9
73.02962	3.8
75.00878	0.7
83.01400	2.8
83.66192	0.4
85.02954	6.7
85.04071	0.5
87.00859	0.5
95.01395	1.1
99.00890	2.0
101.02437	6.8
113.02431	5.0
119.05039	0.7
121.02947	0.7
125.02473	0.8
128.03540	1.0
143.14954	0.5
151.00427	2.8
157.06190	0.7
161.04616	2.4
163.72751	0.5
196.07437	0.6
240.90424	0.4
271.06244	0.9
304.13400	0.5
320.09479	1.9
328.12915	0.5
475.38364	0.8
635.05353	0.6
637.43317	7.4
688.08942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
63.02403	4.0
65.00327	6.0
65.49749	0.2
70.33637	0.2
83.01382	5.8
93.03452	9.6
98.90321	0.2
107.01392	19.1
108.02213	1.3
119.05023	40.5
120.05370	0.8
121.02935	0.3
122.06117	0.3
125.02435	1.2
136.01645	2.5
136.07674	0.9
144.04550	0.3
145.02934	0.9
150.05598	0.3
151.00378	64.3
152.00734	0.7
161.06055	0.2
164.01132	3.4
165.01952	2.9
167.82256	0.2
169.01437	3.2
177.01952	10.0
185.06026	0.3
196.00163	1.1
203.05823	0.3
227.07112	1.2
229.05051	0.2
231.12303	0.2
253.05089	2.1
257.04434	0.2
257.09399	0.2
271.06146	100.0
272.06516	2.3
273.12473	0.4
274.12869	0.2
289.72873	0.2
313.07446	0.3
335.12546	1.6
336.12799	1.6
337.12982	1.0
384.00128	0.2
415.10641	0.4
433.11346	1.2
445.30499	0.2
475.12515	59.3
476.12747	3.1
613.57721	0.2
634.05176	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88813	0.8
56.06639	0.7
57.03474	0.8
58.02976	1.2
59.01378	7.0
63.63658	1.0
63.80407	0.7
69.81243	0.8
71.01384	1.6
72.00922	6.1
74.02460	1.6
82.02983	3.5
85.02954	5.5
92.64799	0.9
99.05637	1.2
109.04093	6.3
112.04056	1.2
113.02438	1.5
123.00913	2.0
124.01627	6.4
127.05130	26.8
127.06095	1.0
128.03529	100.0
137.02477	1.3
139.04034	6.3
145.79649	0.9
147.04530	23.5
163.11328	1.4
164.07181	60.5
187.78989	1.0
213.10336	3.8
249.06183	1.3
257.09332	10.7
267.07394	1.1
275.10382	20.2
293.11484	54.3
387.09375	4.7
387.16586	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	682.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00365	0.3
56.66021	0.4
57.03457	0.9
59.01381	2.7
69.03458	6.2
71.01376	1.7
72.00899	8.1
72.04539	0.7
72.99285	0.7
82.02981	39.7
84.04537	1.8
84.25880	0.4
85.02950	30.9
86.21245	0.4
86.45909	0.4
87.00856	0.5
91.05516	2.0
100.04036	25.7
101.02438	21.2
107.20978	0.4
113.02419	3.2
113.33278	0.5
118.06641	4.2
128.03532	4.3
129.01927	91.2
135.25398	0.5
147.04517	33.3
148.04820	0.5
159.08246	1.5
161.09662	0.6
164.07169	100.0
165.07509	2.5
186.09250	1.7
188.10844	2.1
189.09224	1.9
204.06685	0.6
204.10304	1.7
214.08733	1.9
232.09772	3.0
255.79013	0.5
276.08771	33.8
277.09186	0.6
294.09848	88.5
295.10141	2.3
301.02121	0.5
352.49908	0.5
387.16684	2.5
409.54324	0.4
686.12024	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.22
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34320	0.2
59.00928	0.2
59.01373	1.6
60.99305	0.2
63.09124	0.2
68.67252	0.2
69.13207	0.2
70.66015	0.2
75.99648	0.2
88.98789	1.6
109.02882	0.3
112.60356	0.3
118.48032	0.3
136.01611	0.4
137.02437	9.4
144.10358	0.4
149.70987	0.2
151.03998	2.4
161.02440	8.6
163.03970	0.3
164.01135	0.4
165.01927	100.0
166.02238	0.2
176.04771	4.8
179.03493	29.3
180.04283	72.2
181.04655	1.1
191.07164	2.2
194.04034	0.4
194.05841	17.4
195.03041	3.4
195.06627	87.8
196.06961	1.2
209.08209	19.9
210.05354	18.7
225.07698	83.3
226.07999	1.4
357.10104	0.4
387.14355	1.1
435.16571	2.9
497.58682	0.3
538.00635	0.3
593.15137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19897	0.3
55.01875	0.5
57.03444	0.7
58.00604	1.0
59.01387	66.9
59.22728	0.3
71.01385	43.3
72.40324	0.3
72.99309	1.5
73.02938	1.5
79.79890	0.4
83.01373	0.8
85.02966	6.8
87.00879	2.7
89.02446	60.2
95.01379	3.0
97.63044	0.4
99.00879	0.4
101.02444	22.9
104.72798	0.4
113.02451	17.7
113.34797	0.4
114.38474	0.5
119.03492	18.2
131.03484	2.3
143.03572	3.0
149.04590	2.1
161.04541	4.1
179.05615	16.6
341.10904	100.0
342.11215	1.0
554.92609	0.4
666.51038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61132	0.6
52.05077	0.6
55.01892	0.9
57.03459	1.0
59.01389	16.8
64.34727	0.7
71.01379	7.4
73.02955	2.7
75.00854	1.6
83.01414	0.9
85.02957	7.3
87.00872	0.9
89.02454	6.7
95.01402	1.5
96.95948	0.8
99.00879	1.3
101.02425	4.1
113.02474	8.2
147.04535	100.0
148.04834	1.5
149.04564	1.0
150.02956	0.7
153.09215	1.1
161.04509	1.4
187.11168	0.8
205.12335	14.2
211.18221	0.8
218.10066	0.9
220.64174	0.7
308.19397	0.7
380.45779	0.8
441.16641	1.1
477.24057	3.9
477.74136	5.4
478.24393	1.3
499.14838	1.3
499.21933	38.9
500.22098	1.5
554.71301	0.8
621.66730	0.7
647.27295	13.5
683.24939	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	684.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59624	0.6
58.44381	0.5
59.01380	1.1
71.01364	6.6
72.37930	0.6
79.05527	0.9
88.04031	83.2
91.05545	4.0
93.03450	3.3
95.01362	2.2
105.03436	2.2
107.05019	1.3
109.02946	7.3
111.05603	0.6
114.01954	4.8
115.00356	13.7
117.03448	0.5
119.05038	0.8
121.02936	4.2
122.03743	2.8
123.04502	40.9
132.03017	100.0
133.02953	3.5
134.06117	0.8
135.04506	13.6
137.02455	3.3
145.02901	0.7
149.02422	8.3
150.03223	10.7
151.03999	17.2
161.02371	1.0
163.04002	18.6
165.05510	0.6
167.03493	1.1
177.01968	2.7
178.02715	3.7
179.03400	1.1
181.05084	4.3
182.02220	2.3
182.07388	0.7
205.01414	3.5
206.02214	0.7
206.08261	2.6
207.03023	2.3
208.03703	0.9
224.04738	0.6
227.07048	0.8
232.06258	0.8
236.03423	0.7
237.04054	0.7
239.07140	2.9
241.08742	5.0
243.06644	4.0
250.07210	63.1
251.07596	1.9
253.08693	2.7
255.06606	2.5
257.08191	8.7
267.06641	0.8
269.08249	6.3
281.08249	1.2
285.07690	43.7
286.08102	0.9
297.07773	8.8
313.07202	57.3
314.07474	1.0
315.08740	16.0
325.07166	2.8
343.08255	23.2
355.08316	0.9
415.10468	1.2
433.11395	64.0
434.11752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	6.7
57.03190	1.2
57.03458	22.7
59.01384	16.9
67.01896	1.5
68.99835	0.7
71.01392	9.8
72.99307	1.5
73.02953	3.0
74.36447	0.6
75.00861	1.3
79.32085	0.7
83.01395	19.3
84.02171	2.9
84.84694	0.6
85.02956	100.0
87.00867	1.4
88.98826	0.8
89.02456	4.2
91.01894	6.5
93.03497	0.8
95.01381	2.9
96.96016	0.9
99.00890	1.5
101.02416	4.9
108.02168	25.2
109.02977	1.5
111.00873	32.7
113.02450	3.9
117.03442	1.4
119.03494	1.2
121.02929	0.9
123.00884	10.3
123.04514	39.6
124.01643	8.6
125.02390	1.2
129.01932	44.3
130.08727	3.7
134.03723	24.3
136.01671	3.8
137.02435	1.4
147.02991	4.2
147.04607	2.3
149.06104	3.2
151.00424	1.0
151.04056	0.7
152.01146	29.6
154.99925	1.3
160.01665	2.8
161.04657	0.9
163.04007	2.6
164.04793	3.3
166.02718	3.3
167.03485	69.2
168.03802	0.9
173.00917	4.1
174.03214	2.6
175.04018	4.4
176.04822	1.1
178.02725	5.8
179.07082	0.8
181.05019	1.0
189.05669	2.6
191.02054	1.2
192.04257	15.6
193.05075	23.0
204.11389	0.9
207.02937	1.0
207.06610	19.2
220.03828	1.6
229.14450	2.5
235.06119	41.2
243.65007	0.7
251.05586	0.8
261.04031	1.1
261.07584	1.1
263.12790	1.0
279.05096	9.1
297.06177	6.8
323.04279	5.7
323.07681	1.1
338.19943	1.4
341.05325	5.0
343.21277	7.5
359.06339	1.3
379.27121	0.7
424.12265	0.7
633.30420	1.0
633.80096	2.5
685.26801	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	685.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90223	0.6
57.03465	0.7
59.01391	11.4
59.90139	0.7
61.98836	1.0
71.01381	4.4
75.00854	0.7
78.00981	0.6
82.02995	5.6
83.01361	1.3
84.04532	1.1
85.02940	3.4
86.39642	0.8
87.00863	1.3
89.02440	1.1
94.02981	50.2
96.04546	3.2
96.95992	1.1
99.00886	1.5
101.02462	1.1
101.25031	0.8
105.05846	1.4
108.04572	1.6
113.02477	2.5
120.08182	42.8
122.06116	1.6
124.07668	5.4
125.02427	1.4
136.04016	1.0
136.07695	0.8
137.04814	0.9
138.05598	27.4
143.03471	1.3
144.04562	5.0
152.07204	0.9
161.04779	1.2
162.05598	3.1
164.07179	3.5
172.03986	0.8
172.07747	0.9
173.04938	1.0
174.05659	5.3
188.03561	1.1
200.07242	1.0
203.05943	7.4
215.11833	1.1
217.13483	1.3
223.08766	5.1
223.12411	0.9
225.13918	1.2
236.09561	3.5
237.10335	5.7
238.10823	1.1
239.08267	1.0
239.11914	1.1
242.98409	0.9
249.10350	1.7
249.13948	1.9
250.11143	1.0
251.07950	1.0
251.11917	36.7
252.12521	1.5
257.13000	0.8
261.12512	1.0
262.07724	1.1
263.08362	7.2
263.11905	8.4
264.09024	5.9
264.12625	1.1
265.10959	1.0
265.13470	9.1
266.10635	1.6
267.11472	1.3
268.08432	1.0
269.13040	1.1
275.11960	1.1
276.09045	5.7
277.09814	31.6
278.10532	8.7
279.11462	5.4
282.10327	1.7
283.11066	0.9
284.11554	0.8
285.12393	3.2
291.11444	37.8
292.12198	46.6
293.12939	32.2
294.13278	0.8
295.10730	2.7
296.11682	3.8
297.12534	1.4
303.13455	1.8
306.10080	0.9
310.09622	1.1
318.10043	1.4
319.10825	3.5
324.11246	11.3
327.13556	4.7
335.10449	19.5
336.11249	16.4
337.12030	9.9
338.12515	1.0
346.15582	3.1
374.15079	0.8
374.18994	9.5
375.19431	3.6
376.20422	1.3
386.15216	1.2
388.16629	4.0
389.17145	1.1
402.18576	1.5
414.18323	1.0
416.19846	21.8
417.20471	4.8
420.19373	13.0
434.21341	0.9
442.17670	1.6
443.18527	3.6
448.22568	1.5
460.18851	22.2
461.19598	20.2
492.21472	67.2
493.21899	3.1
513.25513	1.7
531.26422	0.9
555.25720	1.4
557.24316	3.5
573.27325	1.8
589.26831	11.2
599.25128	8.2
617.26227	30.6
626.76819	0.8
631.27899	23.2
647.27496	1.1
649.28870	100.0
650.29114	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1418
Annotation	dephospho-CoA
Peak:m/z	Relative Intensity
50.64946	0.2
53.17669	0.2
57.03441	0.4
59.01385	0.5
62.78686	0.2
62.86421	0.2
62.96407	0.5
69.21770	0.2
73.30536	0.2
77.97526	0.3
78.95903	100.0
85.02955	2.8
86.03283	0.2
96.95983	0.9
96.96957	11.0
105.70781	0.3
128.03560	0.2
129.01956	0.2
134.04720	9.9
138.83374	0.2
150.98019	0.5
158.92534	10.1
158.93793	0.5
163.01683	2.7
174.98016	1.3
181.02744	1.6
190.02786	0.3
191.01105	2.9
208.03809	5.1
211.00177	0.9
269.99454	0.4
272.95758	4.2
279.07596	0.3
321.06873	0.4
328.04507	1.2
339.07858	12.5
346.05591	3.2
357.08868	1.9
401.03436	0.5
408.01166	2.7
419.04675	4.4
686.14197	30.2
687.14392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44698	0.4
52.44973	0.3
56.14174	0.3
57.03454	2.5
65.00320	0.6
69.51403	0.4
71.01377	15.9
83.01382	2.1
89.43033	0.3
93.03439	0.7
107.01330	1.2
107.05025	0.5
115.00365	8.1
121.02943	100.0
122.03230	0.5
125.02426	29.0
126.02752	0.5
134.63460	0.3
139.03940	0.5
149.02441	2.0
151.00348	6.0
152.01123	1.3
153.01932	2.8
159.06746	0.3
163.00366	0.4
169.06548	0.4
173.06070	1.6
174.38943	0.3
177.05539	0.5
178.99818	4.8
179.03496	1.5
199.30721	0.4
201.05620	1.5
215.07132	0.7
225.05585	1.5
237.04053	12.3
241.04996	0.4
243.06693	2.0
259.03354	0.8
259.06100	23.8
269.04544	20.1
287.05630	10.9
311.05740	0.4
449.10934	39.6
450.11444	0.7
550.09698	0.6
570.12213	0.4
603.04205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	7.0
60.25468	0.4
66.83981	0.4
71.01374	0.6
77.21771	0.5
79.95760	0.5
85.02936	0.6
87.48484	0.4
95.01387	2.2
97.02943	0.9
109.98610	0.5
121.02931	0.6
123.00880	12.3
124.01657	33.1
125.02448	25.3
137.09700	1.0
148.36023	0.5
149.99591	49.7
151.00372	3.1
152.53682	0.4
167.03459	1.9
168.00645	100.0
169.01407	9.1
179.03531	0.7
181.08693	0.8
197.11842	2.2
229.51663	0.5
269.06903	0.7
270.26971	0.5
287.07523	0.7
301.88495	0.4
320.68777	0.5
331.06732	3.9
356.32101	0.5
379.79865	0.5
643.22644	0.9
687.21503	67.7
688.21753	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	687.4975
Annotation	PA(18:1(9Z)/17:0)
Peak:m/z	Relative Intensity
55.05206	0.3
63.96235	1.9
73.81189	0.4
78.95478	0.5
78.95901	9.3
79.95744	3.1
90.61784	0.4
110.98519	7.5
114.63492	0.4
137.57309	0.4
156.21136	0.4
167.01184	2.7
255.23326	46.7
256.23685	1.6
279.23312	1.9
280.23712	2.3
281.24878	100.0
282.25204	2.1
331.19275	0.4
334.09906	0.4
344.79105	0.5
371.11346	0.5
405.24203	0.5
423.25418	3.6
431.25626	0.5
617.16803	0.5
687.24554	1.5
687.50244	14.9
688.49847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4974
Annotation	PA(18:1(9Z)/17:0)
Peak:m/z	Relative Intensity
50.09148	0.7
59.01384	0.9
59.78662	0.8
60.63464	0.8
74.71277	0.8
76.57541	0.8
78.95518	0.9
78.95902	12.2
90.48457	0.8
110.98527	10.4
167.01114	3.6
208.48157	0.9
210.16441	1.0
255.23309	42.3
279.23495	1.1
281.24875	100.0
282.25082	2.1
283.26413	4.8
423.25381	2.1
483.40082	1.0
608.94220	1.1
687.49829	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	688.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68557	0.2
52.97156	0.2
59.01382	1.9
59.63528	0.2
71.01377	1.3
78.95898	100.0
80.68441	0.2
85.02940	0.4
89.02427	0.4
92.11734	0.3
96.96951	28.8
101.02433	0.6
107.03658	0.3
129.76720	0.2
134.03683	0.5
134.04712	15.3
138.98012	1.7
150.98018	3.2
170.57329	0.2
186.43466	0.2
189.12682	0.3
192.99069	1.1
197.04649	0.3
211.00119	2.2
223.01135	0.2
298.44324	0.2
346.05603	59.0
347.06119	1.7
422.75320	0.3
443.19159	2.6
444.19760	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	688.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.1
61.24686	0.3
61.98819	0.5
64.00565	0.4
64.70547	0.4
65.53012	0.4
69.03469	0.5
78.95900	19.8
83.05042	0.5
92.12340	1.0
95.05019	0.5
97.06584	12.9
115.78778	0.4
122.98526	6.0
123.08152	8.7
125.09717	100.0
126.10049	0.9
134.98555	0.5
142.33951	0.4
152.99585	2.8
168.04309	4.2
169.08701	4.4
185.11855	4.1
185.13278	0.4
187.09785	5.3
192.87567	0.5
201.11351	49.9
202.11653	0.6
224.06947	2.8
255.23347	2.7
256.23621	0.8
279.23309	64.9
280.23605	2.4
281.24875	5.0
282.25201	2.8
289.62775	0.5
301.67044	0.5
486.29935	0.6
504.31046	4.2
629.34589	6.0
688.41937	22.0
688.53052	0.8
689.42419	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	688.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89731	0.3
54.56715	0.3
57.03444	0.6
59.01365	0.4
61.98838	0.4
64.34657	0.3
64.95214	0.3
77.61805	0.3
78.95476	0.6
78.95905	11.9
84.72548	0.3
96.00896	2.4
96.96948	0.4
97.06563	3.0
99.09123	0.4
114.39228	0.4
122.98531	2.9
123.08177	1.7
125.09720	25.1
152.99591	1.8
168.03113	0.4
168.04300	3.4
169.08728	0.6
177.74617	0.3
185.11923	0.5
187.09772	2.1
201.11336	12.4
224.06950	1.8
236.06961	0.5
243.09656	0.4
255.23299	0.8
256.23715	0.6
279.23318	100.0
280.23657	4.2
281.24832	3.4
282.25208	2.3
426.18814	2.4
629.34821	2.2
688.41895	13.1
689.42419	1.5
689.61005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76703	2.2
56.93885	2.5
57.16573	2.7
59.01384	19.4
61.98841	2.5
71.01376	11.2
78.95905	4.1
82.95421	19.8
84.95119	100.0
85.00455	3.3
85.02913	2.7
89.02449	4.0
101.02434	5.8
113.02419	4.5
114.40112	2.7
182.21303	3.1
246.56813	3.0
250.26270	3.1
255.23344	43.8
281.25046	3.7
282.25467	6.7
299.19598	3.2
397.13504	42.1
415.14664	16.3
476.49979	3.3
476.91196	3.4
653.37573	13.0
689.35352	61.4
704.18756	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	691.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
57.03443	2.6
58.00065	0.3
58.00597	0.5
59.01387	67.5
69.03440	0.4
71.00983	0.8
71.01384	23.1
72.99300	1.5
73.02946	10.6
74.02464	2.3
83.01392	4.4
83.05015	0.5
85.02950	8.7
86.55885	0.4
87.00864	1.6
88.04043	0.5
89.02443	15.4
95.01368	0.9
96.96017	0.4
99.00874	1.8
101.02435	17.3
111.04531	0.8
113.02436	11.4
116.03551	0.7
119.03486	7.1
121.02922	0.5
123.08188	0.5
128.03506	0.7
131.03482	0.5
132.04532	0.8
135.04483	0.4
137.06104	0.6
138.84529	0.4
139.07739	0.6
143.03543	0.5
161.04544	2.4
164.07173	0.5
171.11877	0.5
179.05667	0.6
189.12843	1.6
219.13872	0.5
231.14043	0.4
237.15015	0.8
261.08850	1.8
398.38077	0.4
425.18115	1.4
443.19351	3.7
470.66769	0.4
485.20346	100.0
486.20596	3.4
509.20416	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	693.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
57.03453	0.5
59.01390	5.6
62.13911	0.2
66.17023	0.2
68.99805	0.2
69.03452	0.4
69.42416	0.2
71.01382	5.6
72.99291	1.4
73.02946	1.7
75.00881	0.3
75.71375	0.2
76.10183	0.2
83.01376	1.1
85.02948	4.2
87.00853	0.6
89.02441	1.1
93.03465	0.4
95.01360	1.2
96.96004	1.0
97.02959	0.3
99.00885	1.7
101.02438	2.4
108.02174	46.9
109.02967	12.3
109.93681	0.2
113.02454	2.5
115.00323	0.3
119.03440	0.3
120.35283	0.2
121.02954	1.5
122.03676	0.4
123.00899	1.1
123.04539	0.5
125.02428	0.5
125.06054	0.5
133.02940	0.3
134.03722	0.9
135.04509	1.4
136.05313	0.9
137.02443	0.3
139.07593	0.2
147.04590	0.3
149.06070	0.4
151.04007	1.3
151.07651	1.2
152.01158	100.0
153.01967	5.2
159.04504	0.3
161.04587	1.4
161.05931	0.2
163.03993	4.7
163.07607	0.3
177.01921	0.9
179.03500	1.3
179.05550	0.2
182.20872	0.2
185.09669	0.9
189.09212	0.3
190.06390	1.0
200.16144	0.2
201.12877	3.0
201.25757	0.3
203.10754	2.0
204.11572	7.9
205.08548	0.4
207.02969	1.2
219.13934	7.1
245.11562	0.3
263.12927	3.7
269.04599	0.5
271.08313	0.4
273.12387	0.3
284.03314	0.3
297.06213	1.0
315.07202	1.5
319.45291	0.2
326.11670	0.4
335.12436	0.5
341.13962	0.9
401.16241	2.1
429.04639	0.5
429.10397	12.8
430.10846	0.4
447.11514	13.6
448.12244	0.4
632.30743	0.3
632.80768	0.4
641.80579	0.3
649.80652	0.3
653.31207	1.2
653.80957	0.6
693.24084	68.2
694.24530	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	693.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91307	0.1
53.03518	0.2
59.01388	34.2
60.03249	0.2
76.30691	0.2
79.95714	1.5
86.45970	0.2
91.08138	0.2
92.12423	0.3
96.96006	86.9
97.06580	0.9
99.57986	0.2
131.22818	0.2
135.08173	0.8
147.08148	1.9
165.09222	0.5
176.70857	0.2
181.12366	0.3
225.11351	32.7
226.11636	0.3
305.07047	100.0
306.07352	2.4
530.97925	0.2
675.77777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	9.7
58.02713	1.0
58.02982	18.1
59.01385	87.6
62.01031	1.1
70.02969	14.6
71.01380	8.0
71.82992	0.8
71.89942	0.9
72.00905	2.5
72.04531	1.6
73.02934	2.4
74.02470	75.9
82.95411	15.6
85.02942	7.4
87.00872	8.6
89.02447	2.0
96.95512	1.2
96.96014	18.5
98.02465	18.1
99.04504	4.4
101.02422	6.5
113.02428	4.3
116.03533	22.7
116.05038	32.4
125.02421	1.4
128.03386	1.0
130.06593	2.1
133.10239	1.6
133.19963	1.1
135.04552	1.1
135.08145	1.5
137.09718	6.3
142.06648	6.7
159.09315	9.8
159.11830	3.9
161.09715	6.4
163.07675	2.1
179.10771	6.0
181.08723	14.2
183.09285	1.2
186.05536	1.3
197.11818	59.7
201.10291	8.1
203.08279	84.6
204.08553	1.2
221.11819	1.5
223.09731	13.4
241.10817	56.7
245.09323	91.0
246.09474	1.5
256.58630	1.0
283.11835	32.3
295.50610	1.0
313.12949	11.8
314.36118	1.1
343.14017	64.9
403.16125	100.0
404.16351	5.4
609.15869	1.5
693.29608	1.4
702.54517	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	694.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29217	0.6
54.94888	0.5
61.94543	0.6
66.13368	0.6
67.18677	0.5
68.88478	0.6
73.01170	0.8
83.05014	2.7
85.02923	0.7
86.02465	3.4
88.74310	0.7
89.00673	0.6
90.98589	100.0
97.23134	0.6
152.08427	0.7
165.09180	0.8
178.01801	32.5
179.10800	1.2
183.19965	0.7
217.12328	1.1
218.07791	1.3
233.10101	1.1
251.11183	2.8
269.12195	5.3
356.15277	0.9
400.14438	23.0
472.09573	0.8
526.05737	0.7
720.97369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	0.5
58.92931	0.3
59.01378	2.3
64.35008	0.3
70.02969	0.3
71.01376	6.7
72.00919	0.3
73.30070	0.3
74.02471	0.4
85.02945	0.4
87.31863	0.3
88.04031	85.7
89.04372	0.4
91.05501	2.4
96.95996	2.1
103.96341	0.3
114.01946	4.0
115.00354	16.2
116.03525	0.3
132.03015	100.0
133.03374	0.6
134.06085	0.5
135.04539	3.3
160.07663	0.3
164.07169	1.4
206.08215	3.7
232.06100	0.5
250.07201	72.2
251.07634	2.2
431.24509	0.3
488.21805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.5
63.02393	0.7
64.55894	0.3
65.00295	0.5
73.03460	0.3
83.01392	0.7
93.03465	0.4
96.96000	2.8
107.01402	2.4
132.02151	1.4
135.00822	1.7
142.38275	0.4
148.30357	0.3
151.00354	3.5
163.00380	0.8
164.01123	0.8
167.05049	0.4
169.01389	1.3
178.99857	0.7
179.84688	0.4
183.04471	1.5
185.02502	0.4
185.06017	0.4
187.03998	0.5
190.99872	0.5
199.04053	0.4
211.03973	2.2
213.05537	0.7
214.73624	0.3
227.03520	49.3
228.03935	1.4
229.05087	3.1
239.03513	0.6
240.04276	0.5
241.04929	0.4
243.02983	0.8
255.03003	87.2
256.03656	6.6
257.04611	3.1
265.10806	0.3
267.03003	0.5
269.04572	3.8
270.04889	0.5
271.02493	1.9
277.20599	0.3
283.02426	2.5
284.03287	100.0
285.04022	20.6
300.02716	3.2
327.05026	0.4
457.16190	0.6
471.09518	1.3
591.14661	0.4
609.14771	0.4
651.15771	61.1
652.15668	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	695.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74921	0.5
54.82201	0.5
55.01869	0.5
57.03462	80.8
59.01390	51.8
59.01653	0.7
71.01383	10.0
73.02942	4.9
76.47079	0.4
76.56847	0.4
81.03455	3.0
83.01395	4.2
85.02951	4.5
89.02432	1.0
92.11712	0.6
95.01366	0.7
96.95993	10.6
98.95587	0.5
99.00851	1.7
99.04509	52.4
101.02435	27.3
102.02824	0.4
113.02441	6.7
123.04510	24.2
125.02425	22.3
128.03566	0.5
129.01901	0.6
132.03043	0.9
143.03508	3.8
149.02388	0.8
151.00334	0.8
159.03047	0.8
161.04547	5.8
163.04076	0.5
167.03487	100.0
168.03860	3.5
172.03018	0.5
173.52209	0.4
209.04668	0.7
221.10306	34.4
222.10710	0.7
227.12866	1.0
241.47951	0.4
250.07289	0.5
263.11362	10.5
265.69766	0.5
285.07596	0.5
303.14609	5.3
305.07138	0.6
307.08624	5.4
329.08807	22.2
330.09210	0.9
360.86887	0.5
365.06583	3.5
365.14536	62.6
366.14807	1.0
433.11139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
60.63115	0.1
60.99305	0.1
63.78412	0.1
67.16972	0.2
74.20312	0.2
79.95313	0.2
79.95713	1.3
84.64491	0.2
90.38501	0.1
96.96003	100.0
105.13482	0.1
119.34756	0.1
153.12889	0.6
163.11305	0.2
165.12840	3.9
197.11877	0.8
209.11806	1.3
215.18185	0.2
223.85622	0.2
225.11258	0.2
227.12912	21.1
228.13281	0.3
268.03790	0.7
268.86002	0.1
269.04044	0.2
291.94250	0.2
307.08606	88.8
308.08859	2.3
461.21140	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82185	1.0
59.01139	1.1
59.01388	16.2
71.01378	4.3
74.61748	1.1
75.32879	0.9
79.33778	1.1
82.02979	1.5
82.10371	1.0
85.02961	1.5
87.86707	1.0
88.98787	4.9
92.12321	2.4
94.02983	19.6
96.96017	1.4
101.02439	1.3
108.04561	5.0
110.06103	2.8
113.02440	1.7
113.46149	1.1
117.91518	1.0
122.06139	8.6
134.06087	2.8
135.86188	1.0
136.07698	1.2
138.05609	9.9
144.04584	1.5
147.05571	1.3
150.05597	2.3
152.01173	2.3
161.04845	1.4
174.05606	2.2
179.10727	1.8
180.06685	1.4
186.05688	1.9
188.07155	2.2
191.34776	1.2
201.10332	5.2
203.06004	1.6
203.11830	1.2
209.04514	1.1
213.10332	2.4
225.10440	1.3
227.11894	2.2
229.09900	8.6
229.13428	2.7
235.12434	1.8
237.10265	4.3
239.11986	14.8
249.10339	2.1
251.08244	2.4
251.11867	6.1
255.11472	2.6
257.12939	2.7
263.08279	2.4
263.11914	2.7
264.09055	18.9
265.09802	10.1
267.11444	4.6
269.04697	8.2
273.12485	1.8
276.09006	1.6
277.09818	6.8
278.06815	1.3
278.10648	2.0
279.07990	4.2
279.11368	31.2
280.12082	2.1
281.09525	1.4
281.12912	1.9
283.11032	2.0
289.09583	1.6
289.12311	1.6
290.10577	1.7
291.07831	6.1
291.11371	6.4
292.08560	30.6
293.09323	8.2
296.11322	1.1
301.11932	14.9
305.09503	2.0
306.10272	9.8
307.07510	2.5
307.10944	70.2
308.11667	12.0
309.12274	1.5
319.13025	31.9
321.12454	2.5
327.13431	1.7
339.13571	1.9
340.10657	2.8
344.14124	1.5
350.09174	18.0
351.09927	74.2
352.10504	5.2
354.12000	1.4
365.11566	2.0
383.12622	2.2
386.15277	4.4
387.16019	1.5
388.16998	1.8
400.16980	1.6
404.16400	2.6
405.16965	1.3
414.14423	2.5
416.16278	2.2
429.16736	1.7
430.17746	6.2
432.15479	4.0
437.15894	2.6
446.17227	2.8
447.17966	5.8
448.18820	2.1
462.20444	1.6
474.16699	5.1
488.18326	1.4
491.17014	6.0
492.17746	12.5
506.19363	25.1
507.19458	1.3
520.20697	2.2
523.19995	1.9
527.22723	2.0
538.22028	100.0
539.22388	2.5
545.24304	2.1
569.24237	2.1
587.24945	12.6
603.24896	2.5
613.23175	6.3
619.27838	1.7
631.24371	15.6
635.27588	1.6
645.25641	17.2
663.26837	56.6
664.28003	3.9
677.28442	10.1
695.29565	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	695.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35439	2.2
51.78006	1.9
59.01398	20.1
71.01373	5.7
83.05016	4.0
87.04581	2.4
94.02974	38.7
96.04542	2.4
96.96012	3.7
99.04484	2.6
101.02441	2.6
108.04556	2.9
110.06107	11.2
118.96899	2.4
122.06092	19.2
124.04037	5.7
134.06171	3.0
136.03993	4.2
138.05615	15.7
150.05582	9.0
150.75896	2.2
160.04077	3.4
161.03523	2.5
162.05576	2.9
174.05618	9.8
201.10353	11.5
203.05925	2.8
207.50340	2.4
213.10339	3.8
215.11914	4.3
227.11966	4.3
229.09868	18.9
229.13547	4.0
237.10214	3.9
239.11934	28.4
241.09868	3.2
247.10843	3.3
251.11891	3.5
253.05237	3.0
255.11299	6.0
259.10837	3.0
263.11859	4.1
264.09070	9.9
265.09885	13.7
267.11404	14.5
268.03781	14.6
269.04599	100.0
270.05005	4.1
271.10873	4.8
273.12497	4.5
279.08398	3.0
279.11252	22.7
281.09299	2.7
281.13016	4.2
283.10831	6.1
289.12149	3.5
291.11374	13.5
292.08859	18.3
292.11719	4.1
293.09274	5.7
293.90314	2.6
301.11908	22.7
307.10941	40.5
308.11523	5.8
309.12552	4.3
311.10419	4.2
319.13040	69.6
339.13437	2.5
343.13092	4.6
344.14160	2.7
350.09146	10.5
351.09921	34.4
352.10809	3.8
372.13379	4.3
379.19229	3.4
386.15033	11.1
387.15894	3.2
388.16821	5.5
400.16669	4.0
404.16235	11.4
405.17136	4.4
414.14963	3.9
418.13837	3.5
429.16940	3.4
430.17999	3.4
431.09628	4.4
432.15384	3.1
437.16245	4.0
446.17343	4.5
447.18100	5.1
448.19064	4.5
466.19986	4.8
486.89532	2.9
491.17252	3.8
492.17737	9.3
506.19180	14.7
518.40552	2.8
527.23364	3.2
538.22034	38.2
545.24084	13.3
569.24359	5.8
571.21558	4.0
587.25201	36.1
603.24860	10.1
613.23041	10.5
631.24194	39.4
645.25751	15.1
663.26849	94.7
695.29352	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02131	0.7
51.82890	0.7
59.01381	9.2
70.69481	0.9
82.03018	1.4
92.65491	0.9
94.02974	27.1
96.04519	0.9
106.06615	1.3
108.04584	1.6
110.06102	8.4
120.05386	0.9
121.05345	1.2
122.06102	13.0
123.03391	1.0
124.04021	4.5
134.06149	3.6
136.04056	3.6
137.04788	1.3
138.05653	9.2
144.04515	1.4
147.05644	1.8
150.05650	6.7
161.04848	2.1
162.05678	1.1
174.05609	6.3
175.05183	2.0
180.06653	1.9
185.07054	1.0
186.05579	2.0
187.06433	1.3
188.07219	1.7
193.01266	1.0
201.10335	14.3
203.05888	3.8
203.11848	1.2
211.08807	1.1
213.10370	6.3
215.11931	4.1
223.08716	1.3
224.09560	1.0
225.10291	1.2
226.07385	1.0
227.11940	5.5
229.09857	17.1
229.13423	6.0
236.09555	1.0
237.10368	3.7
238.07687	1.1
238.11121	1.0
239.11913	16.2
241.09868	2.2
243.11540	1.3
247.10977	3.0
249.10410	1.7
251.08347	3.2
251.11824	7.6
253.09627	2.9
255.11397	4.8
257.12881	7.0
259.10876	1.1
263.08258	5.5
263.12039	4.8
264.08975	10.0
265.09897	9.1
266.10635	1.9
267.11496	8.4
269.04675	1.5
269.09158	1.2
273.12503	3.8
275.08203	1.0
276.09219	1.6
277.09891	4.3
278.10556	3.5
279.08148	2.1
279.11301	17.8
280.12109	3.7
281.09326	1.7
281.12979	5.0
283.10919	4.5
289.11938	4.4
290.10577	1.8
291.07919	4.2
291.11401	12.7
292.08582	19.0
292.48434	0.9
293.09259	6.5
293.12573	0.8
298.09753	1.0
301.11963	26.2
305.09283	2.0
306.09991	7.3
307.10934	40.2
308.11554	9.7
309.12405	2.0
311.10428	4.4
319.13016	65.0
321.12430	1.2
323.14044	1.2
325.11975	3.7
327.13565	4.1
328.10974	1.0
329.12106	1.0
330.12378	1.4
332.14218	1.3
335.10306	3.1
340.10657	3.8
342.12524	1.2
343.13467	1.9
344.14362	3.5
346.15695	1.7
350.09210	12.8
351.09903	35.6
352.10657	2.1
358.15787	1.5
359.13083	1.0
360.13290	1.3
360.17532	1.7
365.11398	2.0
370.15729	1.4
371.13037	1.7
372.13455	3.7
372.17538	1.7
373.14352	1.7
376.16696	1.3
378.18585	1.4
379.19153	1.8
383.12463	1.3
384.17365	1.4
386.15192	10.2
387.15796	3.5
388.16721	4.1
396.13660	1.6
400.16800	5.0
402.18588	1.5
404.16058	9.3
405.16956	3.8
406.17783	1.6
414.14606	4.3
418.13968	4.5
428.16226	2.0
429.16956	5.6
430.18127	6.3
432.15677	5.3
433.16614	1.2
437.15967	4.6
446.17224	7.5
447.18164	7.0
448.18781	3.9
450.16824	1.6
461.16498	1.3
474.17093	3.5
491.17194	5.7
492.17886	7.5
506.19241	13.7
509.21301	1.2
520.21283	1.1
524.19971	1.2
527.23016	9.5
538.22070	44.0
545.24384	8.8
559.25256	1.1
569.24115	8.2
571.21423	3.7
587.25269	27.6
603.24261	9.1
613.23181	5.8
619.27368	1.9
631.24207	42.0
633.25580	1.1
635.27283	5.0
645.25861	14.6
649.12714	1.0
663.26843	100.0
664.26788	2.2
677.28284	1.1
695.29407	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	695.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	26.0
61.16256	3.7
70.51361	3.8
71.01381	5.3
71.90658	4.2
72.96891	4.5
92.12413	12.1
94.02969	22.7
118.17939	4.8
122.06049	8.7
123.23055	4.1
130.14555	4.1
138.05627	6.8
147.64314	4.5
148.81575	4.0
160.03975	4.8
201.10382	7.8
212.06383	4.2
213.10367	5.1
229.09807	16.9
239.12038	9.9
248.23370	4.4
251.11856	5.1
264.08923	7.9
267.11517	7.0
268.03860	4.7
269.04575	49.0
277.09491	5.1
279.11349	7.4
291.11514	6.0
292.08560	9.4
295.46527	5.5
301.11893	18.4
307.10831	32.0
308.11728	5.0
309.12204	4.3
319.12939	60.0
346.15897	4.0
351.09918	23.5
447.18277	5.8
538.22076	9.8
545.24030	5.0
569.23846	16.6
587.25348	26.7
603.24127	4.7
631.23706	39.6
645.25391	8.0
663.26941	100.0
677.28491	5.6
695.29578	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97566	0.1
59.01386	100.0
60.01717	0.4
70.99316	0.1
76.58355	0.1
78.95901	5.5
149.00121	0.2
153.39285	0.1
205.16034	0.6
270.59518	0.1
279.23215	0.2
300.34418	0.1
397.18097	0.1
427.18832	0.1
428.43256	0.1
430.17743	0.1
447.13437	0.4
653.29999	0.4
695.31262	23.2
696.31653	1.7
703.61542	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	695.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.5
55.94678	0.2
56.06205	0.2
57.03454	0.6
58.00597	1.2
59.01394	61.2
71.01392	18.4
72.99313	0.7
73.02968	0.8
81.76044	0.3
83.01395	2.4
85.02954	4.9
87.00876	0.5
89.02445	23.9
92.11661	0.5
92.68611	0.3
94.67654	0.3
95.01366	1.5
96.95996	6.2
98.95588	3.8
98.96145	0.3
99.00893	0.5
99.08160	15.0
99.92588	1.8
100.93343	0.6
101.02441	15.6
107.69643	0.3
113.02447	9.1
115.92077	10.7
116.92107	0.6
119.03497	9.5
127.07676	2.3
129.09212	1.9
131.03529	0.5
141.09192	1.7
144.15987	0.4
145.08711	57.8
146.09068	0.6
161.04613	0.6
163.11285	7.7
179.05701	0.6
187.09779	1.5
207.10265	0.7
235.98390	0.3
268.03857	3.3
278.91534	0.3
305.72571	0.3
307.14008	100.0
308.14450	3.3
355.52463	0.3
387.16647	49.4
388.16992	2.5
431.09753	3.9
432.09958	0.6
435.00577	0.4
473.10843	0.4
519.24768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	1.0
59.01390	22.4
78.95901	14.6
91.78058	0.6
100.19183	0.7
113.09717	11.5
137.17538	0.7
140.06955	0.7
152.99541	1.1
157.08618	1.0
159.10265	100.0
168.04289	5.8
204.00533	0.7
224.06963	2.9
255.23322	44.6
279.23114	1.2
280.23636	0.8
314.82791	0.8
455.48193	0.7
480.31009	2.6
622.40961	57.3
623.41180	1.3
692.65088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	2.5
57.03458	16.5
59.01384	12.3
59.01688	0.3
59.80404	0.2
68.99819	1.0
70.90786	0.3
71.01379	6.5
72.99304	1.6
73.02960	0.4
75.00858	1.9
77.78426	0.2
83.01383	2.9
84.02158	2.1
85.02948	100.0
86.03291	0.3
87.00871	1.1
89.02442	4.6
101.02419	2.5
103.00389	1.8
111.00874	4.3
113.02468	1.3
115.00363	1.1
115.99705	0.3
119.03504	1.0
119.05032	3.7
129.01945	5.7
133.01428	0.6
145.02934	0.5
147.02994	9.2
163.02623	0.6
163.04037	2.6
173.00954	1.7
179.05611	0.5
180.43343	0.3
191.01982	31.7
201.79533	0.3
209.03036	16.3
230.09033	0.3
337.05630	1.3
341.10925	5.9
355.06738	25.0
356.07077	0.4
647.79126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36049	0.4
54.98397	0.4
55.01872	2.5
57.03455	13.3
57.09219	0.5
58.00588	1.9
59.01387	72.1
60.54344	0.4
71.01382	49.3
72.01717	0.6
72.99315	4.0
73.02934	1.2
75.00849	0.9
79.19947	0.5
83.01397	4.7
84.02147	2.0
85.02950	87.9
87.00845	3.5
87.05724	0.4
89.02441	68.7
95.01367	2.8
99.00850	0.6
101.02437	26.1
103.00362	1.2
111.00860	4.2
113.02441	20.8
115.00381	0.5
119.03492	23.2
119.04996	2.4
125.02460	0.8
129.01921	5.2
131.03481	3.0
143.03534	3.8
145.27614	0.5
147.02997	7.7
149.04530	2.0
161.04547	4.6
163.04034	2.1
173.00990	0.9
179.04379	0.5
179.05618	19.5
191.01984	25.5
209.03035	11.3
322.20050	0.6
337.05615	0.7
341.10913	100.0
342.11276	2.5
345.19623	0.7
355.06705	19.3
355.12381	2.1
356.06979	0.8
389.54041	0.5
389.69730	0.6
478.37125	0.5
527.31183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00867	0.2
59.01388	0.3
61.07448	0.2
61.98843	0.3
64.17522	0.2
73.02942	0.2
78.95898	1.3
92.12349	0.7
99.92583	6.9
114.93394	0.3
116.92856	100.0
116.97256	2.1
117.01962	0.4
117.92841	1.9
143.07140	0.4
152.99586	0.5
184.92175	0.3
241.01282	0.4
255.23268	0.9
279.23389	1.1
416.29895	0.2
697.35913	0.9
702.02203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03190	0.6
57.03453	11.4
58.02978	0.4
59.01384	6.9
70.02982	0.5
70.13616	0.3
71.01378	2.0
72.00909	3.9
73.02931	0.4
74.02472	7.7
79.40108	0.3
82.02985	2.5
83.01397	0.4
84.04541	2.5
85.02956	2.4
85.04046	0.8
86.02480	0.6
96.95969	1.9
97.04053	0.5
99.04506	7.1
99.05560	0.4
101.02415	3.2
101.07188	0.8
109.02947	0.3
109.04083	3.0
112.02776	0.3
112.04012	0.5
113.02473	0.5
113.03545	0.4
113.07188	0.3
116.05054	18.6
123.04488	0.6
123.05630	2.4
125.02428	2.1
127.04165	0.5
127.05124	12.1
128.03526	100.0
129.03891	0.7
130.06609	0.7
141.06700	8.9
142.06610	5.1
153.06702	0.4
157.07712	0.7
159.09265	4.8
161.04614	0.4
167.03592	0.6
167.04619	12.2
185.05676	6.4
186.05597	0.8
203.08276	38.5
204.08598	0.5
221.10324	4.2
226.10501	0.4
252.04280	0.6
263.11490	0.8
270.12512	3.2
297.02637	0.5
305.06897	0.4
314.11526	11.8
332.12540	53.7
333.12872	0.7
365.14542	7.9
587.25903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63730	0.1
58.96037	0.1
59.01389	5.2
60.01720	0.7
61.01813	0.5
61.98837	100.0
62.08693	0.1
78.95911	0.6
85.86908	0.1
95.59403	0.1
98.37246	0.1
99.97327	0.1
143.10771	0.1
163.11316	0.3
236.00845	0.1
255.23611	0.1
279.80933	0.1
353.15277	0.1
358.24231	0.1
399.39932	0.1
697.31531	0.7
698.31439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99002	0.8
56.18320	0.8
57.03456	17.3
59.01390	45.5
62.00692	0.8
68.33553	0.7
70.02986	8.1
71.01385	6.5
72.04542	2.2
73.02958	1.3
74.02481	100.0
76.06161	0.8
83.01387	1.0
84.04517	1.2
85.02962	6.5
85.04116	1.1
86.02477	1.3
88.03594	0.7
88.04047	7.8
89.02452	2.1
96.00907	1.4
96.90176	0.8
96.96011	68.5
97.33387	0.8
98.02479	25.0
99.00855	0.8
99.04520	9.5
101.02449	9.6
105.93896	0.8
113.03558	10.5
115.00380	3.2
116.03542	49.3
119.03536	0.9
119.60845	0.8
125.02407	6.0
128.03537	11.3
132.02997	3.2
132.04556	36.8
140.71237	0.9
144.04541	12.8
146.06131	7.1
147.08200	1.0
157.06143	5.3
161.04575	3.6
172.04059	1.5
173.07204	1.2
175.08812	2.0
189.06680	8.5
190.05034	1.0
201.06699	15.5
219.07764	3.4
225.11353	23.3
233.57826	0.9
251.11328	9.2
261.08817	81.0
262.09277	1.4
286.10507	1.4
293.12589	3.0
305.07138	84.6
306.07330	1.5
318.69312	1.0
342.41788	1.0
352.06238	1.1
382.10831	1.8
395.15656	17.2
618.07141	1.0
701.19641	3.1
734.33362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35757	0.2
57.03452	0.5
59.01385	100.0
59.35175	0.3
60.01725	0.4
61.98830	0.5
65.79607	0.2
67.05534	3.7
69.03475	0.3
71.01392	1.3
73.02943	0.5
85.02969	1.2
85.72924	0.3
89.02438	0.7
99.00877	0.5
99.04491	0.3
101.02476	1.1
104.25408	0.3
113.02483	1.0
113.47268	0.3
116.92889	1.1
121.02972	0.6
124.05276	2.3
133.10243	0.3
135.11829	2.2
137.09683	0.5
151.03954	0.3
161.09773	0.4
167.03497	0.4
179.10779	86.2
180.11169	2.0
181.08714	1.4
197.11870	2.9
223.07741	0.5
223.09796	11.0
223.11992	0.4
225.14995	3.0
239.12860	3.2
241.10832	3.2
253.05165	0.5
264.89517	0.3
269.04700	0.4
283.11884	20.1
284.12204	0.3
329.16049	2.2
335.12589	1.0
339.12198	0.3
373.18750	0.4
457.16183	1.8
633.23694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83128	1.9
57.35750	1.8
59.01365	1.9
71.01366	5.0
73.97069	16.7
74.00689	4.8
80.95979	2.3
82.02971	3.7
85.03633	3.1
85.04076	35.2
86.02496	2.1
87.05614	4.0
88.04032	5.1
91.45790	2.0
93.03442	2.2
109.04053	2.3
117.01283	34.4
120.01167	7.9
127.05046	3.0
128.03523	80.8
128.09587	2.7
135.05653	4.5
153.06711	12.3
157.06195	57.1
160.00684	3.9
168.07805	9.0
169.06122	3.6
171.07732	2.3
179.04605	13.8
189.03365	11.9
196.07257	9.0
197.05705	11.2
246.05479	3.9
286.10416	37.4
304.26520	34.2
304.29666	3.6
318.07687	100.0
320.09097	17.1
352.06354	16.9
382.24188	29.4
432.67465	2.5
701.32581	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12278	0.3
53.78080	0.3
54.84694	0.3
59.01383	0.5
65.66366	0.3
72.84203	0.4
78.95900	56.3
87.04509	0.4
96.96962	4.4
110.98487	3.3
111.55450	0.4
114.66384	0.4
134.98546	0.8
152.99585	38.3
167.01137	0.9
171.00668	0.4
171.10255	2.7
177.22017	0.4
179.14426	0.5
195.13931	6.4
221.15544	2.5
223.13354	0.7
239.16675	0.5
255.23308	100.0
256.23572	1.0
277.21671	8.4
291.19620	3.2
295.22797	26.3
299.59381	0.4
309.20703	6.0
391.22592	17.9
409.23700	7.1
423.25031	2.0
445.19962	7.1
481.04898	0.4
490.71671	0.5
701.44324	49.8
702.44611	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12278	0.3
53.78080	0.3
54.84694	0.3
59.01383	0.5
65.66366	0.3
72.84203	0.4
78.95900	56.3
87.04509	0.4
96.96962	4.4
110.98487	3.3
111.55450	0.4
114.66384	0.4
134.98546	0.8
152.99585	38.3
167.01137	0.9
171.00668	0.4
171.10255	2.7
177.22017	0.4
179.14426	0.5
195.13931	6.4
221.15544	2.5
223.13354	0.7
239.16675	0.5
255.23308	100.0
256.23572	1.0
277.21671	8.4
291.19620	3.2
295.22797	26.3
299.59381	0.4
309.20703	6.0
391.22592	17.9
409.23700	7.1
423.25031	2.0
445.19962	7.1
481.04898	0.4
490.71671	0.5
701.44324	49.8
702.44611	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36597	0.1
64.34917	0.2
75.17490	0.2
78.95901	1.2
94.35490	0.2
110.98548	1.3
147.08147	3.7
152.99529	0.2
163.11287	100.0
164.11632	1.2
171.10283	0.4
195.13875	0.4
255.23323	4.7
265.36993	0.2
277.21790	1.6
295.22812	5.0
323.20197	4.8
339.23334	50.5
340.23749	1.4
345.18268	0.2
361.21545	29.7
362.21939	1.0
472.26822	0.2
587.11963	0.2
659.19452	0.2
701.48151	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	701.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69909	2.4
61.98834	3.2
68.02485	2.1
70.16958	2.5
78.95904	40.1
110.98553	13.9
139.36446	2.7
152.99602	11.5
167.01198	4.7
171.10294	10.2
172.00694	2.9
190.42372	2.8
195.13953	14.9
247.07332	4.0
255.23329	100.0
255.25862	5.0
256.23895	3.5
266.21628	2.7
273.33481	2.7
277.21725	23.3
279.23486	2.9
295.22824	77.7
396.29105	2.4
423.25430	4.2
445.20276	2.9
701.48053	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20092	1.2
54.78395	1.7
64.35014	1.5
78.95901	72.5
88.10192	1.7
96.96953	6.4
100.24670	1.5
110.98560	1.9
114.40132	1.6
133.70357	2.0
152.99570	51.4
162.99788	1.7
195.13924	7.6
221.74263	1.7
236.52821	1.6
255.23300	100.0
256.23508	2.4
291.19629	3.7
295.22745	9.5
303.38669	1.8
391.22577	15.0
409.23721	8.4
445.20026	8.1
526.30670	1.8
529.20490	1.8
656.61633	2.1
701.44049	47.6
702.44385	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	701.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47038	0.5
59.01410	0.7
59.85112	0.5
61.98842	1.9
78.95908	60.6
96.96957	6.6
110.98548	5.8
113.09676	0.5
134.98575	0.7
152.99588	39.0
167.01172	3.2
171.10225	3.5
185.23361	0.6
195.13889	8.9
221.15562	1.9
255.23306	100.0
256.23596	5.4
277.21747	12.6
279.23209	0.7
281.24878	0.5
291.19644	2.5
295.22787	38.5
296.23132	0.8
309.20728	4.9
391.22598	15.4
392.22977	1.1
409.23630	7.3
423.25262	2.0
445.19696	4.9
546.87128	0.5
689.30933	0.5
701.44849	47.5
702.44543	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	704.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50578	0.8
55.01888	4.5
57.03462	13.4
59.01105	1.5
59.01390	30.0
65.03977	0.8
66.03498	0.9
69.03465	7.3
70.02980	0.9
71.01392	34.1
71.05022	13.1
72.00905	1.5
73.02954	47.9
77.03968	1.8
77.26920	0.8
81.03465	6.2
82.02974	1.2
83.01396	10.0
83.05045	20.6
85.02963	100.0
87.00882	0.9
87.04533	3.9
89.02457	8.1
91.51029	0.8
93.03490	3.5
94.02996	6.0
95.01407	2.0
95.05037	8.9
96.04557	65.2
96.96030	5.1
96.99265	1.6
97.02953	16.5
98.02481	1.1
99.00881	59.8
99.04510	7.6
101.02452	18.9
101.71893	0.9
108.02159	1.8
108.04552	6.1
109.02959	19.9
110.02484	1.2
111.00904	7.5
111.04539	12.7
113.02457	5.5
113.06094	3.1
115.00376	13.9
115.04037	7.2
117.01962	1.5
119.03506	1.6
120.08162	1.1
121.02955	1.8
125.02431	1.2
126.01954	6.7
126.05618	5.6
127.04015	14.2
128.03525	11.7
129.01949	17.1
131.15344	0.9
138.05612	4.1
139.04019	15.0
140.03510	1.9
143.68909	0.8
144.03030	1.3
152.01161	4.9
152.03580	1.0
156.06686	4.1
157.05135	6.9
158.00990	1.2
158.04613	10.5
165.01961	3.5
165.34477	0.9
167.03508	4.1
170.04593	5.5
171.03017	9.4
172.02563	1.9
176.35060	0.9
182.04585	3.5
183.02988	28.0
193.12376	1.1
200.05681	5.6
201.04071	64.2
244.04626	14.5
251.12038	1.1
277.10059	1.4
292.11945	1.6
293.12872	2.1
302.76645	1.0
373.18442	1.4
415.19760	35.4
457.21167	2.0
477.18408	1.1
515.16235	1.2
539.21277	3.4
556.24042	15.8
606.26044	1.7
617.24426	2.1
618.23810	1.9
648.27893	1.6
660.25238	4.8
666.28699	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	705.195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	14.3
59.01376	0.5
68.06158	0.3
70.02979	9.4
72.00910	3.7
72.04560	2.3
74.02470	53.3
85.02932	0.7
91.32261	0.3
91.90771	0.3
92.11657	0.9
96.96002	14.5
98.01849	0.6
98.02467	14.0
98.50976	0.2
98.95560	2.5
99.92565	0.4
108.95892	0.3
114.37598	0.3
115.92066	0.7
116.02694	0.6
116.03539	18.4
116.05050	24.5
116.92841	3.6
121.02921	0.4
130.06642	3.0
142.06609	5.9
148.31372	0.3
159.09294	5.6
160.02597	0.4
183.09285	1.5
186.05627	1.5
201.10339	5.0
203.08289	60.4
204.08597	1.7
245.09325	100.0
246.09686	2.8
253.05066	0.7
291.89893	0.3
310.23572	0.3
559.50671	0.3
623.19769	0.3
625.40265	0.3
705.17090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98306	0.4
58.02982	1.0
58.53588	0.5
59.01390	12.2
59.25798	0.6
71.01374	4.4
72.00910	7.0
73.02949	5.4
74.02467	1.3
82.02988	2.4
83.01373	1.1
84.04547	2.3
85.02937	1.0
86.02464	0.6
86.42548	0.6
89.02431	0.7
90.03483	0.5
90.44764	0.6
91.05516	2.4
99.05655	1.1
101.02446	5.2
101.07165	0.7
109.04062	6.1
111.99930	0.7
112.04015	0.6
112.60993	0.6
113.02420	1.1
118.06605	0.8
119.03522	0.7
122.04866	0.8
124.02768	0.8
125.39505	0.6
127.04164	0.7
127.05126	28.4
128.03529	100.0
145.03323	0.8
147.04523	24.1
149.59802	0.6
161.04559	1.1
163.04068	0.7
164.07172	55.7
185.07126	0.6
189.73465	0.6
193.62967	0.6
213.10269	4.1
218.23216	0.6
231.11456	2.2
257.09317	10.8
271.67908	0.6
275.10422	19.8
293.11469	52.1
618.42090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11589	0.2
55.17426	0.3
59.01398	0.2
61.98836	100.0
69.16099	0.2
77.33268	0.3
78.95898	0.3
92.65411	0.3
163.11237	0.4
199.57407	0.3
240.07359	0.4
315.36130	0.3
642.42310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39252	0.9
70.69444	1.1
71.78648	1.1
75.44942	1.0
78.58812	1.2
78.95905	21.2
81.21322	1.3
96.40417	1.0
110.98561	5.4
125.09657	1.4
127.11287	2.1
137.63185	1.2
152.99597	2.4
168.04303	5.1
171.10274	100.0
172.10606	1.7
182.60637	1.2
277.21710	14.4
278.22165	9.8
279.23300	69.9
280.23669	13.0
288.54376	1.4
658.40936	36.9
708.46429	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	708.447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	19.0
60.52648	0.3
72.19734	0.3
73.26553	0.3
77.76203	0.3
78.95473	0.6
78.95908	13.4
84.63470	0.3
110.98554	1.4
117.81290	0.4
125.09718	0.8
127.11271	3.0
127.32133	0.3
127.39355	0.3
130.18130	0.4
152.99602	1.3
153.09229	0.5
168.04346	4.4
171.10280	100.0
172.10605	1.4
185.11836	8.2
224.06895	3.2
255.23332	46.3
256.23679	1.2
277.21844	2.6
278.22073	0.8
279.23325	13.7
280.23605	1.5
284.45282	0.4
463.14682	0.4
480.30890	3.4
589.33826	0.4
634.40985	33.6
635.41382	2.2
648.42493	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	709.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10003	0.3
57.03189	0.5
57.03457	10.5
59.01397	2.1
70.41338	0.3
71.01381	2.1
73.02959	0.5
83.01374	0.3
85.02950	1.3
89.02462	0.5
90.32878	0.3
90.89570	0.3
93.03474	1.1
93.16734	0.3
96.23933	0.3
97.02910	1.2
98.24699	0.3
99.00858	1.8
99.04498	0.5
101.02451	3.1
113.02468	0.6
117.03462	6.5
119.05019	83.1
120.05374	1.3
124.01633	0.4
125.02435	7.8
140.87924	0.3
144.38185	0.4
145.02954	20.3
146.03250	0.4
149.50285	0.3
161.04503	0.4
163.04012	100.0
164.04332	0.7
168.00616	1.3
169.01331	0.3
214.50079	0.3
231.90590	0.3
346.02023	0.3
381.60791	0.3
401.10620	0.7
419.11981	1.7
501.22482	0.3
563.16119	1.4
565.15649	18.5
566.16101	1.2
582.76099	0.3
607.16766	10.8
608.18073	0.5
623.67322	0.3
647.20044	4.1
709.20154	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	709.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03453	2.7
58.00615	0.5
59.01395	41.9
68.99810	0.7
71.01389	29.0
72.99314	5.9
73.01294	0.4
73.02950	19.1
75.00877	14.8
76.57718	0.5
83.01386	5.3
85.02953	22.6
85.39754	0.4
85.44408	0.4
87.00871	7.9
89.02440	11.4
92.12409	1.7
93.03442	0.6
95.01372	3.9
97.02877	0.6
99.00874	9.5
101.02437	17.3
103.00356	0.8
111.00888	2.7
113.02445	21.7
115.00368	2.0
117.01941	2.5
119.03469	2.8
129.01910	0.8
131.03429	0.6
143.03450	0.5
161.04504	0.6
175.02434	0.5
191.01965	1.9
193.12337	2.9
211.13499	0.8
227.19086	0.5
231.05031	0.6
249.06139	9.9
267.07208	2.9
269.04471	2.0
340.84021	0.5
355.17770	0.6
373.18649	0.8
415.19864	0.9
623.25848	2.1
647.25793	2.0
665.26715	100.0
666.26892	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	711.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82246	0.2
55.01895	2.5
57.03464	16.1
57.03746	0.5
59.01107	0.3
59.01392	7.1
68.99842	0.4
71.01383	3.1
72.99303	1.5
73.02934	0.3
75.00866	1.1
83.01395	3.0
84.02177	2.7
85.02951	100.0
85.32182	0.2
86.03292	0.9
87.00849	1.0
89.02435	0.9
96.96017	0.3
99.00878	0.3
101.02449	0.6
103.00358	1.4
111.00872	3.3
115.00385	1.1
119.03631	0.2
119.05025	3.2
129.01938	6.2
133.01434	1.3
145.01503	0.3
145.03018	0.3
145.71602	0.2
147.03011	9.5
163.02795	0.4
163.04007	2.7
173.00894	1.9
190.83455	0.2
191.01981	27.3
192.02376	0.5
197.70195	0.2
209.03049	15.5
303.11279	0.2
337.05832	0.4
355.06738	22.2
356.07382	0.3
504.06891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25200	2.8
56.93182	2.6
59.01387	40.9
59.24560	3.1
71.01386	23.3
72.99295	3.2
73.02924	2.7
74.86960	2.8
78.95905	7.2
85.02953	3.3
89.02454	24.0
92.12408	9.8
100.48643	3.1
101.02459	17.5
108.01019	3.1
113.02444	6.4
119.03477	4.7
125.02469	6.3
132.16272	3.5
183.01381	5.1
198.80864	3.0
235.08263	3.7
243.22488	3.6
277.21735	71.2
279.23364	14.0
280.23642	5.2
281.24802	4.0
297.15289	6.7
305.08936	3.6
397.13544	100.0
415.14471	34.9
675.35718	16.1
711.33765	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43506	7.6
59.01389	49.8
63.70489	6.5
71.01374	15.1
76.58104	6.8
77.39678	7.3
78.95921	16.9
89.02454	12.3
90.59653	7.0
116.92908	8.1
117.90372	7.7
143.53856	7.3
151.73277	7.3
151.80229	7.7
152.99599	9.9
166.76953	7.8
239.16556	40.2
246.07076	7.5
277.21677	69.7
279.23276	34.0
280.23776	27.7
309.20709	8.5
327.21661	64.2
397.13525	100.0
415.14658	29.3
423.65332	7.6
711.33575	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82793	1.9
54.99792	1.5
58.10317	1.7
59.01378	2.1
60.24738	1.6
64.51332	1.8
65.41843	2.1
78.95904	97.0
83.43611	1.7
96.96959	17.3
99.49547	2.1
110.98512	4.3
111.08165	3.0
113.09752	3.6
139.07649	2.1
151.19211	1.8
152.99573	29.1
157.07405	3.5
157.08699	94.9
157.09944	3.8
173.08173	2.6
173.11809	2.4
179.67712	1.8
185.79366	2.1
223.00078	4.6
241.01210	34.1
255.23337	74.8
259.02277	3.2
279.23315	38.9
280.23639	4.3
281.24835	32.4
308.72968	2.3
317.76205	2.4
389.58713	2.4
391.22479	7.5
527.24951	2.6
641.59808	2.9
709.13062	2.4
711.37463	100.0
711.49109	9.6
712.37817	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	712.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62787	0.3
59.01389	1.8
61.22868	0.4
63.02402	0.5
71.01406	0.6
85.02966	0.6
91.01891	0.4
96.96038	1.0
103.60399	0.4
106.06624	93.4
107.01383	0.6
107.06949	0.6
111.19458	0.4
126.71506	0.5
133.02991	2.4
149.57478	0.4
150.05611	34.8
180.05891	0.5
181.06500	0.9
194.04594	35.1
195.05009	1.0
201.05522	0.5
224.04816	1.8
225.05606	0.5
253.04962	1.8
268.03796	6.8
269.04575	100.0
270.04901	6.8
291.06650	0.5
311.05618	6.2
346.40439	0.4
712.25714	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89581	4.3
59.01389	31.1
68.03081	3.3
71.01366	7.3
78.95881	25.5
87.00861	4.4
89.02443	9.1
92.12432	8.0
99.00860	4.1
101.02438	7.6
108.90234	6.4
116.55111	4.5
119.03547	4.8
152.99625	6.5
164.51012	4.0
167.18883	3.5
178.95990	6.3
179.05621	5.2
235.08231	5.3
247.13605	4.1
279.23273	61.9
280.99207	5.0
281.24838	82.9
320.09320	4.6
397.13562	100.0
402.54413	4.1
415.14505	18.5
653.28436	4.6
677.37726	6.2
713.35358	82.3
713.48438	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18665	1.4
61.67912	1.5
61.68325	1.3
67.56187	1.5
76.58193	1.6
78.95903	66.9
81.31911	1.4
96.96941	15.6
110.98547	7.1
113.09715	8.0
116.92869	1.9
152.99606	24.6
159.10274	75.7
199.32338	1.9
223.00108	7.6
224.95845	1.7
241.01201	31.4
255.23325	66.5
259.02252	2.5
279.23233	2.7
281.24918	49.0
297.03888	1.8
391.22650	2.7
713.38971	100.0
713.50262	5.5
714.39185	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	713.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22641	0.3
55.01887	2.7
57.03460	0.7
58.00605	0.9
59.01397	45.2
69.03456	1.8
70.33684	0.4
71.01394	29.7
72.99314	0.9
73.02653	0.4
73.02959	6.4
73.90287	0.4
78.95888	0.7
81.03446	1.0
83.01405	3.5
85.02962	6.7
87.00883	5.7
89.02448	32.0
95.01371	2.1
97.02941	5.8
99.00883	1.7
101.02445	23.5
103.00358	0.5
103.03984	0.7
107.34381	0.4
111.04514	0.6
113.02454	13.4
115.04035	0.6
119.03493	8.5
121.02901	0.5
125.02451	8.1
131.03481	0.7
133.05087	1.1
143.03532	3.5
149.04616	0.4
161.04552	5.7
169.05087	0.6
179.05670	4.2
185.04575	0.5
220.30391	0.4
221.06674	2.0
235.08244	8.7
253.09229	1.8
255.23318	100.0
256.23621	1.6
263.07782	1.8
281.24908	5.3
287.07794	3.4
305.08786	3.3
323.09961	0.6
379.12595	0.5
397.13544	94.9
398.13614	1.8
415.14642	25.2
653.37671	6.8
668.00098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60814	3.0
59.01384	43.5
71.01378	31.8
72.85221	2.6
73.02936	4.1
75.56379	2.5
78.95894	12.7
83.01402	3.2
85.02947	6.2
87.00865	5.2
89.02435	28.6
90.76516	2.7
94.92517	3.3
97.02937	4.1
100.33482	3.4
101.02448	15.5
112.58392	2.7
113.02455	5.4
116.92844	11.6
120.36005	2.8
125.02450	4.4
126.86354	2.7
133.82059	2.9
152.99596	4.0
179.05569	5.3
197.77605	3.0
235.08333	6.2
255.23308	100.0
281.24881	75.8
397.13556	73.2
415.14691	22.0
653.37738	4.1
713.50708	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	713.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33876	0.1
57.03441	0.1
58.68151	0.1
59.01385	0.2
64.22720	0.1
71.01384	0.1
75.00883	0.1
83.05030	0.6
89.02435	0.1
96.95927	0.1
101.02437	0.1
105.12379	0.1
106.06625	2.3
107.06931	0.7
107.98650	0.1
108.04561	0.1
124.01598	0.1
150.05623	1.0
151.06004	0.4
152.01126	0.1
168.00659	0.5
194.04616	0.8
195.04959	0.8
225.16129	0.6
229.25598	0.1
268.03815	0.1
269.01642	0.1
269.04510	2.6
270.04947	1.7
296.22141	0.1
451.32837	0.5
469.62057	0.1
625.80682	0.1
659.48560	0.1
669.75299	0.1
677.49719	2.8
678.50323	0.1
713.47437	100.0
714.47681	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	713.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65807	0.3
69.89753	0.3
78.30624	0.3
78.95474	0.6
78.95905	10.3
92.11656	0.6
109.18308	0.3
110.98524	7.1
112.71927	0.3
120.89963	0.4
152.99611	2.5
167.01152	1.8
255.23250	2.7
279.23315	5.3
280.23514	2.9
281.24875	100.0
282.25122	3.8
283.26318	0.6
309.96304	0.3
449.26791	2.8
700.70837	0.3
713.51477	11.7
714.50879	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06079	0.5
59.01387	1.0
60.47610	0.5
61.98824	3.5
69.36813	0.5
70.76402	0.5
70.90620	0.5
73.65916	0.5
78.95908	8.0
110.98516	6.6
137.88593	0.6
143.75883	0.6
152.99556	1.1
167.01123	3.0
234.36299	0.6
255.23280	4.1
279.23303	4.0
280.23615	1.1
281.24860	100.0
282.25266	6.5
283.25989	0.7
300.97208	0.6
407.60861	0.7
449.27094	2.7
590.41516	0.7
685.68323	0.7
708.01013	0.6
713.51874	11.1
714.49408	0.7
738.66742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00755	0.3
75.87875	0.4
78.95895	10.7
82.20599	0.4
110.98515	7.4
152.99603	1.0
163.52980	0.4
167.01169	2.2
170.65616	0.5
236.87743	0.5
255.23250	0.8
279.23343	7.7
280.23526	3.7
281.24884	100.0
282.25131	5.0
283.26135	0.8
375.05621	0.5
415.32367	0.6
431.25766	0.6
433.33157	1.6
449.27036	3.0
504.71432	0.5
713.51306	11.5
714.51276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48841	0.3
55.01885	0.3
55.60984	0.3
55.68415	0.3
57.03458	2.5
59.01389	38.9
59.99732	0.3
61.10999	0.3
71.01394	0.5
72.51999	0.3
77.61533	0.3
79.95746	1.8
83.01399	0.4
85.02947	7.2
96.96001	93.7
97.06567	0.7
98.95620	0.3
101.02410	0.4
104.52622	0.3
111.00884	0.6
118.94164	2.7
121.02959	1.9
121.39767	0.3
129.01936	3.3
133.72481	0.3
135.08167	0.3
147.08171	1.7
151.11273	0.4
153.34088	0.3
165.09250	0.5
205.03577	1.8
225.11343	31.2
226.11659	0.5
231.52104	0.3
267.03137	4.6
275.11102	0.4
283.06223	0.4
292.47656	0.3
304.08505	0.3
305.07037	100.0
306.07367	2.6
327.04935	7.1
629.69147	0.4
642.61749	0.3
692.61041	0.4
715.25769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61267	3.1
59.01387	48.9
61.98820	5.2
63.18737	3.2
63.38406	3.4
64.34514	3.2
66.29297	3.2
69.14967	3.2
71.01376	18.3
75.00864	3.9
80.33782	3.4
83.01360	4.1
85.02939	5.8
89.02473	4.6
94.02993	25.2
95.01340	4.3
99.00873	4.5
101.02445	3.9
108.77528	3.1
112.65449	3.0
113.02441	3.9
125.02443	4.3
128.03403	4.8
138.05602	13.8
146.48091	3.3
150.05614	4.4
217.13416	4.7
229.13385	4.5
239.11948	19.2
255.57599	3.7
263.12021	4.2
264.09042	15.4
265.09882	7.2
267.11389	6.2
278.25571	4.3
279.11325	27.2
291.08243	4.0
291.11505	15.2
292.08533	19.3
293.09402	3.6
301.11899	14.1
305.36609	3.8
306.09943	4.9
307.10931	59.3
308.11639	5.8
319.13135	49.5
327.13510	5.5
350.09204	16.0
351.09912	64.5
404.16006	4.9
430.17911	4.2
432.19040	5.0
475.17303	5.0
476.18298	16.5
490.19406	18.1
522.22571	73.8
525.24860	5.3
529.24298	4.1
571.25250	5.9
603.28809	4.6
615.24652	13.3
619.28082	5.4
647.27319	77.1
661.28833	5.0
679.30017	100.0
680.30261	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	715.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60572	0.4
54.54471	0.3
57.03462	4.8
58.00589	0.4
59.01389	43.9
59.99588	0.3
67.05523	0.5
69.03461	0.4
71.01389	12.4
72.99309	5.1
73.02944	2.6
74.17766	0.4
75.00874	9.5
77.34952	0.4
83.01381	0.9
83.05029	0.9
83.49460	0.3
85.02958	14.5
85.15091	0.4
85.88161	0.4
87.00876	8.5
89.02467	4.3
91.89554	0.4
92.11653	0.8
93.03458	0.4
95.01397	3.8
96.96029	1.5
99.00876	8.0
99.04517	3.3
101.02434	0.9
103.00367	1.8
110.03186	0.4
111.00852	0.8
113.02455	15.2
115.00360	0.9
117.01918	2.3
119.08646	2.7
121.06561	0.5
129.01910	1.9
131.03484	0.6
133.10226	0.9
135.08202	3.0
135.11787	1.8
137.09715	14.0
143.03488	0.5
149.14604	0.4
153.09218	2.5
157.01382	0.4
161.09702	4.1
162.51471	0.4
163.07654	4.6
175.02487	1.6
179.10782	8.9
181.08701	8.6
193.03587	0.8
194.73555	0.4
197.11861	6.0
205.07132	0.5
223.09750	2.5
231.05258	0.9
240.47220	0.4
241.10825	2.6
249.06175	6.6
267.07364	5.1
268.03622	0.7
297.13239	0.6
315.14615	4.0
373.87039	0.5
429.17770	0.9
431.15717	0.9
473.16757	0.8
491.17737	6.6
539.24884	2.7
645.31409	0.5
646.81183	0.5
653.28674	1.9
655.25958	2.8
679.29895	0.5
697.27203	5.0
715.28326	100.0
716.28766	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	716.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59737	1.1
57.03463	2.6
58.99616	15.7
59.01385	6.0
71.01385	9.6
73.02932	1.3
84.04530	1.4
85.02945	17.7
87.00869	14.6
88.91828	1.2
89.02444	3.1
101.02435	6.3
102.98595	100.0
112.04047	40.0
113.02429	5.2
127.05118	7.7
128.03517	26.8
129.01900	2.8
143.03439	1.2
147.04521	7.3
161.04530	8.8
164.04886	1.5
164.07170	16.9
167.07420	1.4
172.04422	2.0
197.04587	2.2
249.06180	4.9
257.09442	1.6
275.10532	2.3
283.04941	97.0
284.05060	1.9
293.11356	11.0
327.06030	1.2
422.10892	2.3
422.16064	2.3
524.59381	1.4
738.79816	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	717.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
65.33978	0.8
66.53540	0.8
73.02950	4.1
73.28052	0.8
77.66064	0.8
78.95906	17.4
78.96334	1.4
85.02968	0.9
96.96918	1.3
103.74434	0.9
104.42287	0.9
107.05024	4.4
109.06597	16.2
127.07648	56.9
140.04491	0.9
152.99586	7.9
165.60594	0.9
171.06628	100.0
196.82837	0.9
255.23289	20.6
293.21356	1.0
332.42035	0.9
391.22369	1.2
429.02954	1.1
454.97400	1.5
502.97577	1.1
717.43842	13.9
734.53558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.2
62.07365	0.9
66.46251	0.8
69.02588	0.8
71.01389	10.5
73.02923	1.3
79.07648	1.0
85.02914	1.6
89.02437	4.8
99.00883	1.4
101.02469	1.3
107.47390	1.0
113.02477	3.2
116.74635	0.9
125.02436	1.8
131.04965	0.9
133.06563	4.0
145.31657	0.9
147.04526	100.0
148.04994	1.1
148.11693	1.0
151.77333	1.0
154.82156	1.0
161.06090	9.7
175.07623	1.4
183.59537	0.9
189.05568	23.4
191.07120	1.3
203.05681	3.8
215.05598	1.1
219.06642	7.7
255.40245	0.9
279.08688	5.1
365.39508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09535	1.0
53.57484	0.9
59.40002	1.2
64.27001	1.0
78.95895	21.7
80.13614	1.0
97.02949	1.1
99.08134	1.4
110.98514	22.6
113.09702	2.0
121.10227	1.6
125.09754	2.3
139.11304	13.6
155.10736	2.1
167.01144	9.5
171.10251	29.6
185.11819	2.3
193.12294	4.3
195.13770	1.5
197.11798	1.7
198.49550	1.3
211.13406	6.3
227.20145	2.5
238.16263	1.2
255.23300	100.0
256.23560	2.6
279.23239	4.8
293.21262	25.8
311.22299	77.4
311.25931	2.7
316.01196	1.4
423.25162	6.5
713.45886	1.6
717.47107	83.5
718.47357	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	719.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41172	0.5
55.22171	0.5
59.01382	11.7
66.39034	0.6
71.01372	6.9
85.02953	1.2
87.00904	0.7
89.02435	13.9
91.78467	0.6
101.02428	5.0
111.00888	1.0
113.02451	3.5
119.03480	5.3
122.26474	0.6
161.04532	1.0
166.68230	0.6
179.05638	5.7
184.87857	0.7
191.01945	0.8
215.03343	1.5
244.74709	0.7
290.12735	0.7
341.10880	24.7
377.08591	100.0
378.08798	0.9
399.98132	0.7
607.55768	0.8
651.80847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82341	0.6
59.01107	1.1
59.01396	19.8
66.41949	0.6
73.91749	0.6
78.95900	12.7
80.12570	0.7
82.26582	0.7
113.09731	11.6
116.92857	2.9
120.71641	0.7
152.99646	1.0
159.10272	100.0
160.10600	1.2
168.04315	4.4
181.83586	0.6
224.06973	1.6
279.23312	38.2
280.23645	1.1
407.13184	0.7
444.05945	0.8
504.30984	1.6
646.40973	45.4
647.41345	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	720.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	20.1
66.04787	0.6
78.95908	12.5
80.08412	0.6
90.96418	0.7
92.12322	0.6
113.09702	3.5
114.93398	0.8
116.92824	0.7
130.76625	0.6
134.58458	0.7
143.10793	2.9
152.99580	1.1
159.10265	37.7
168.04344	3.7
185.24544	0.6
224.06923	1.4
279.23285	100.0
280.23648	4.0
384.18011	2.5
646.40979	48.8
647.41577	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	721.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74754	0.2
54.86553	0.2
59.01371	1.4
59.01637	0.2
63.74633	0.2
65.23431	0.3
78.95921	0.6
81.18464	0.3
82.95419	0.3
92.66317	0.3
95.15884	0.2
98.05148	0.3
99.92576	7.3
114.93408	0.4
116.92845	100.0
117.01914	0.3
117.92858	1.7
162.31209	0.3
179.13716	0.3
188.11293	0.3
259.32501	0.3
270.65631	0.3
409.90506	0.3
433.17889	0.3
445.10663	0.3
484.25790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82381	0.1
55.69203	0.1
59.01379	0.2
64.49242	0.1
72.57530	0.1
73.02944	0.5
75.01097	0.1
76.17735	0.1
78.95909	0.2
95.99316	0.1
96.02031	0.1
99.00851	0.2
99.92579	7.4
100.92590	0.1
114.93406	0.5
116.92856	100.0
116.97199	1.0
117.01944	0.5
117.92862	1.6
152.99644	0.2
200.35223	0.1
200.99617	0.1
337.19073	0.2
355.43460	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	721.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72369	0.1
53.26127	0.1
58.82514	0.1
59.01378	0.4
62.23412	0.1
63.08651	0.1
65.68581	0.1
73.02935	0.1
75.73917	0.1
78.95892	0.1
81.22899	0.1
99.00846	0.1
99.92578	7.3
114.93433	0.6
116.92856	100.0
116.97211	1.4
117.01920	0.3
117.61240	0.1
117.92862	2.1
120.87129	0.1
279.23306	0.2
337.18988	0.1
343.54343	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	721.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.1
73.02941	0.1
75.00885	0.1
78.95887	0.1
92.11681	0.4
93.87408	0.1
95.07692	0.1
99.00874	0.1
99.92587	7.2
108.87515	0.1
114.93391	0.6
116.92861	100.0
116.97209	1.7
117.01935	0.3
117.92871	1.6
197.85187	0.1
255.17656	0.1
317.51617	0.1
513.75885	0.1
703.45227	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	721.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80901	1.3
53.07425	1.4
54.82734	1.4
59.01374	2.5
78.95906	18.0
104.70672	1.4
110.98535	14.4
137.01921	1.5
145.95476	1.7
167.01115	7.9
171.10291	1.5
183.13983	2.5
195.13916	1.6
197.47623	1.9
223.13493	2.1
235.17023	12.2
255.23134	1.9
275.20218	21.9
277.21735	100.0
278.22012	2.3
293.21265	44.9
445.23657	3.7
461.23166	2.1
721.44586	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81549	1.8
59.01386	4.2
60.80032	1.8
61.98838	3.3
67.26521	1.9
68.28362	2.0
78.95904	29.1
110.98520	18.7
116.97484	2.3
143.63681	2.4
167.01135	5.6
171.10277	8.1
183.13855	4.1
235.05635	2.6
235.17020	9.5
275.20215	26.4
277.21741	100.0
293.21265	39.3
297.00156	2.5
383.62686	2.8
421.97693	2.4
445.23367	4.0
459.68579	2.6
464.77841	2.3
467.28757	2.5
532.13043	3.1
721.44464	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14502	0.1
54.83185	0.1
55.01884	0.1
56.37622	0.1
57.03457	0.1
59.01377	0.4
59.50235	0.1
63.96208	0.1
75.13646	0.1
78.05753	0.1
84.04533	1.0
85.02945	0.1
87.02728	2.0
101.02513	0.1
115.05883	0.1
117.81432	0.1
128.03500	0.2
131.05376	1.9
133.06921	100.0
134.07285	1.7
145.08745	0.3
182.84607	0.1
190.86266	0.1
220.10143	2.3
262.11179	33.6
263.11542	0.5
306.10205	1.0
307.13989	0.9
495.05820	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	723.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
57.03450	1.1
57.66299	0.2
59.01387	100.0
60.01719	0.8
63.06320	0.2
71.01384	12.7
72.99318	0.2
73.02948	4.6
75.00866	0.8
83.01382	2.4
85.02947	8.5
87.00878	0.4
89.02447	1.2
95.01369	1.3
96.96009	0.5
97.02972	0.5
99.00867	2.4
99.09860	0.2
101.02438	7.5
111.00874	0.3
113.02444	4.9
117.69167	0.2
125.02430	1.3
128.03516	0.2
138.72984	0.2
143.03508	0.7
157.06194	0.3
159.03075	0.8
161.04556	2.9
177.59547	0.2
181.99895	0.2
237.61960	0.2
269.04724	0.2
272.04459	0.2
320.09311	0.5
475.38147	1.0
637.43292	9.3
638.44281	1.3
679.44482	3.1
680.44971	0.2
723.32776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46442	0.7
55.48167	0.8
59.01386	1.9
59.56156	0.7
60.24621	0.8
63.93063	0.8
78.95902	17.0
81.56942	0.9
83.04987	0.8
96.29448	1.0
110.98534	15.8
113.09739	0.9
152.83217	0.8
167.01149	5.7
171.10294	1.4
183.13828	3.5
195.13860	1.8
204.46109	0.8
235.17067	10.1
275.20200	19.5
277.21750	15.1
279.23303	100.0
280.23633	5.7
281.24762	1.2
288.73642	0.8
291.19629	1.3
293.21283	34.6
294.21567	1.4
295.22711	10.0
304.69833	1.1
339.04843	1.0
432.81247	1.0
447.25189	4.1
461.23148	3.3
723.46063	40.9
724.46954	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	723.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73213	0.5
53.50434	0.6
59.01375	3.4
61.98808	0.7
64.34544	0.8
69.17460	0.6
69.20933	0.6
69.27594	0.6
69.56705	0.6
78.95906	17.9
86.46935	0.6
91.40965	0.6
91.96075	0.8
110.98528	17.6
113.09663	0.9
118.03197	0.6
123.45871	0.7
125.09680	0.9
127.07658	0.6
151.78780	0.7
157.08708	0.9
157.89642	0.6
167.01163	6.3
171.10265	8.4
179.14314	0.7
195.13890	10.1
209.15495	1.5
256.00235	0.8
275.20209	3.9
277.21756	100.0
278.21924	2.5
279.23331	23.3
283.26514	1.4
288.90625	0.8
293.21286	5.8
295.22815	64.5
296.23077	1.5
427.22229	0.7
445.23657	3.4
463.24985	2.7
583.54913	0.9
723.46185	47.9
724.46918	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01384	24.3
61.98834	0.5
71.01383	3.1
72.99323	0.4
73.02965	0.5
85.02944	1.4
87.00870	0.5
89.02435	1.8
91.01879	0.4
96.95986	1.9
99.00871	0.8
101.02415	2.2
113.02439	2.0
124.73219	0.3
125.02451	0.5
131.03439	0.5
132.02156	0.5
137.02396	0.5
179.10756	1.6
180.05818	0.3
204.34750	0.4
209.06078	1.7
223.04050	2.4
224.04712	1.7
224.85892	0.5
225.05646	0.6
251.03452	0.4
252.04297	7.8
253.05070	100.0
254.05414	3.4
265.10788	0.4
270.86026	0.4
289.10895	0.4
308.52191	0.4
311.29257	0.3
363.00409	0.4
371.14850	0.4
372.25983	0.3
380.84131	0.4
427.16101	1.4
433.35983	0.4
577.20782	3.1
656.89343	0.4
665.21954	0.5
676.31488	0.5
681.22021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62555	0.3
57.03440	1.4
59.01396	5.8
71.01391	2.2
73.02935	0.6
74.39880	0.3
79.32635	0.3
85.02956	1.5
89.02432	1.7
93.03452	47.0
94.03788	0.6
96.44642	0.3
96.95985	0.7
101.02432	1.9
106.38419	0.4
113.02455	1.5
125.02459	0.4
137.02437	100.0
138.02777	2.1
140.50722	0.3
159.16911	0.4
163.60857	0.3
179.10825	3.1
207.14030	0.5
214.91409	0.3
307.47873	0.3
361.25150	0.3
383.12033	1.5
501.23093	0.5
665.21082	1.1
681.27429	9.4
756.43536	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41685	0.3
78.95900	60.7
96.96956	15.5
110.98576	0.4
125.09718	0.7
127.11301	2.0
130.37648	0.4
134.98531	0.7
152.99596	19.7
153.09247	0.7
160.43175	0.4
171.10278	82.6
172.10622	1.9
223.00180	6.3
241.01215	31.4
255.23318	63.9
256.23599	2.3
259.02130	3.1
279.23257	1.8
293.21271	0.6
295.22745	1.8
297.03799	1.0
307.09625	0.7
315.04837	2.0
346.94977	0.5
348.39786	0.5
391.22571	4.6
409.23700	0.6
469.14841	0.8
502.74072	0.4
553.27844	5.9
725.38910	100.0
726.39197	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	725.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37320	0.3
54.65566	0.4
64.44019	0.4
66.29574	0.3
78.95909	65.5
83.08757	0.4
92.12405	1.2
96.96957	18.9
116.92853	0.7
125.09695	0.9
127.11221	3.0
134.98541	0.6
152.99588	21.0
167.46011	0.4
171.10269	87.8
172.10634	0.9
172.42795	0.4
223.00125	6.6
241.01198	33.3
249.62979	0.4
255.23308	69.4
256.23709	1.6
259.02164	2.8
279.23392	1.4
295.22894	0.5
297.03845	2.2
298.32837	0.5
307.09610	0.4
315.04880	0.9
391.22580	5.7
409.23953	0.5
519.68121	0.4
553.28009	5.3
571.28613	0.5
683.47815	0.5
725.38892	100.0
726.39337	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	727.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43313	0.8
53.97510	0.8
55.01889	3.8
56.48404	0.7
57.03195	1.0
57.03458	26.7
58.94827	0.7
59.01388	11.1
63.40133	0.8
71.01381	8.3
72.99301	1.4
73.02950	1.4
73.58637	0.8
75.00864	5.2
83.01394	7.2
85.02950	88.2
88.04061	1.1
89.02433	4.4
92.89551	0.8
96.95994	1.8
99.04494	1.3
101.02431	6.4
106.04275	1.6
111.00884	16.7
113.02441	1.8
117.03468	2.2
119.05017	4.6
123.00881	6.8
123.04575	1.2
123.93153	1.0
125.02467	1.6
129.01939	37.5
132.02974	1.3
134.03732	34.7
135.04521	1.1
137.02458	1.4
137.06079	100.0
138.03247	13.5
147.02998	10.3
149.06064	4.0
153.05608	7.4
156.06645	1.0
160.01752	1.3
163.03960	1.1
166.99876	2.2
170.07947	0.9
173.00902	14.1
175.03981	3.9
178.02708	1.3
182.02194	11.9
182.55597	0.9
185.66403	1.0
191.01978	1.3
193.05051	24.6
197.04552	22.8
204.07384	0.8
204.57231	0.9
212.81841	0.8
261.07709	1.5
265.07281	1.3
266.68069	1.0
285.07666	1.3
305.07446	1.0
313.07114	2.0
323.07678	1.8
327.07281	6.2
329.13998	1.0
341.11517	2.2
359.09833	4.6
367.06769	9.8
391.34271	1.0
395.15598	1.2
433.11063	3.4
468.65173	1.1
489.12427	6.0
533.11072	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	728.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52758	1.2
59.01383	2.8
61.98573	1.5
61.98833	22.1
82.02972	6.3
94.02972	60.4
96.04537	6.6
104.62740	1.4
107.56136	1.5
108.04496	1.8
110.06125	9.4
120.08179	54.1
121.05346	1.7
122.06103	17.5
137.04826	1.6
138.05588	30.1
144.04599	3.0
150.05611	2.0
152.07182	1.8
162.05595	2.3
164.07162	6.0
174.05630	5.5
188.03539	2.1
203.05930	10.2
215.11932	6.3
223.08739	2.7
224.14627	1.6
236.09569	5.7
237.10394	7.6
249.10384	2.3
249.14000	2.0
250.11159	1.9
251.11903	31.4
252.12564	2.0
263.08301	8.8
263.11835	7.1
264.08948	7.5
265.09805	2.3
265.13489	11.8
268.08621	2.1
271.10867	1.9
276.08939	7.8
277.09839	39.3
278.10587	9.9
279.11346	8.0
281.09457	2.6
282.10095	3.2
283.10849	6.7
291.11383	43.5
292.12210	46.1
293.12991	37.5
295.11017	1.8
302.73257	1.5
303.13385	2.2
313.12030	1.8
324.11194	8.0
325.12000	2.5
335.10419	17.1
336.11252	19.3
337.11926	11.0
343.13101	2.1
346.15601	3.4
360.17215	7.0
372.13278	1.8
372.17325	9.7
373.17798	2.8
374.18939	5.6
388.16690	2.8
400.16791	1.7
402.18402	7.2
406.17377	1.9
414.18655	11.9
415.19083	2.4
418.17822	10.7
432.19479	7.8
446.21249	1.7
447.18036	1.6
458.16873	4.9
459.18011	12.8
476.18140	17.6
477.18665	10.9
490.19623	3.3
508.20947	45.5
511.23526	2.2
529.24640	3.2
555.22461	1.8
573.23505	10.8
587.25220	2.3
597.23627	2.1
599.47968	1.6
605.26178	54.5
605.35388	2.5
615.24908	20.0
629.26093	2.7
633.16089	2.6
633.25696	40.5
633.35248	2.4
647.27234	39.2
648.27295	2.2
665.28400	100.0
666.28339	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	728.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	100.0
65.28472	0.7
72.03087	0.6
78.95917	3.3
93.00321	0.7
110.98517	0.7
128.34344	0.6
152.99585	3.5
158.85663	0.6
255.23384	2.4
279.23367	1.5
281.24713	0.7
282.25092	0.9
293.21292	1.1
330.64606	0.7
346.00552	0.7
407.05426	0.7
716.44659	0.7
728.48169	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	729.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82370	0.3
55.20729	0.2
59.01384	4.2
64.00959	0.2
71.01373	1.1
71.21693	0.2
72.65386	0.2
72.99287	0.2
73.36535	0.2
79.95734	1.8
85.02957	1.2
85.04070	0.4
86.14024	0.2
92.11720	1.1
96.96004	100.0
99.00887	0.3
101.02419	0.2
113.02461	0.3
120.08237	0.3
120.40430	0.2
122.06133	1.1
125.38841	0.2
128.03571	1.0
131.95815	0.2
136.05296	1.4
139.00443	0.3
141.34998	0.3
157.06296	0.3
165.09306	0.4
251.11966	0.4
291.11618	0.5
292.11868	0.3
293.13312	0.4
320.09357	1.1
481.35452	1.1
508.20996	0.4
599.25140	1.0
631.27936	3.0
669.22906	0.5
700.12213	0.3
729.36957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10494	0.7
61.98821	0.8
66.12523	0.7
78.70838	0.7
78.95901	72.3
92.11699	1.0
96.96958	5.3
142.72995	1.0
150.98032	1.5
152.99591	100.0
171.00650	1.0
255.23503	0.9
279.23203	1.6
392.82971	0.9
433.23657	43.4
434.23779	1.2
470.71231	0.9
496.08197	0.9
548.56244	0.9
733.45624	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33704	1.1
57.03443	1.1
59.01375	7.5
67.90894	1.0
70.64612	1.0
71.01375	10.6
71.05023	1.6
71.32501	1.2
72.99301	4.5
75.00886	10.5
78.95887	2.4
85.02963	10.6
87.00864	2.1
89.02438	1.5
95.01379	1.7
97.02944	1.6
97.06557	4.1
99.00874	17.6
111.17020	1.1
113.02440	9.6
115.00365	1.2
117.01907	1.3
125.09719	6.3
163.11272	7.3
171.10248	1.8
175.02489	1.5
181.12302	10.0
199.13425	5.0
207.10265	16.3
225.11339	21.0
237.32095	1.1
243.12450	8.1
255.23320	39.7
279.23273	2.0
449.85617	1.2
505.29688	1.5
576.30341	1.1
731.42426	100.0
732.42999	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	732.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43504	0.5
59.01384	18.1
63.09055	0.4
63.48366	0.4
76.00696	0.4
78.95895	14.0
125.09669	0.6
127.11279	3.6
152.99586	2.5
153.09227	1.1
168.04311	4.1
171.10263	100.0
172.10631	0.6
185.11835	7.3
224.06963	2.9
255.23656	0.5
279.23306	41.9
280.23560	0.8
305.88315	0.5
378.16782	0.5
504.23914	0.4
504.30682	3.5
577.75403	0.5
658.41046	32.8
659.41339	2.0
672.42584	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	732.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70796	0.2
59.01387	17.8
75.39829	0.3
78.95896	11.4
83.08302	0.2
94.06347	0.3
97.87606	0.3
125.09682	0.5
127.11245	0.5
152.99576	1.4
168.04295	4.4
171.10268	45.7
185.11816	3.4
224.07008	2.3
252.00278	0.3
261.22043	0.3
275.60150	0.3
279.23303	100.0
280.23654	2.1
293.20413	0.3
396.18069	1.6
451.81952	0.3
486.29773	0.4
504.31009	0.6
658.41003	31.2
659.41486	1.5
672.42096	3.6
757.78094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.3
57.03197	1.6
57.03456	34.8
59.01387	61.5
69.03464	1.0
71.01383	17.6
72.99281	0.9
73.02943	6.2
76.70145	0.9
81.03473	0.9
83.01381	5.0
85.02940	10.2
95.01358	1.1
99.00862	1.1
99.04500	7.1
101.02438	18.0
102.72774	0.9
104.29343	0.9
111.00895	1.2
112.01688	1.1
113.02442	7.0
125.02471	3.8
129.33264	1.0
161.04588	2.2
193.30621	0.9
193.50473	1.0
213.18605	8.6
441.32309	1.1
503.32404	1.4
527.32233	4.0
545.33380	100.0
546.34009	4.8
587.34509	35.8
588.35120	1.5
627.37439	4.2
689.38013	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	735.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31355	0.2
53.38315	0.1
55.01880	0.2
55.27861	0.2
57.03452	0.2
57.27330	0.2
59.01391	0.9
63.62688	0.2
68.77855	0.2
71.01407	0.4
72.41019	0.2
79.95738	1.5
82.12338	0.2
82.95390	0.2
83.01391	0.8
84.13474	0.2
85.02937	2.2
88.90103	0.2
90.24706	0.2
96.96008	100.0
99.04534	0.2
111.00883	1.2
121.02957	2.0
127.04011	0.2
129.01950	0.7
138.03166	0.3
149.02446	1.3
153.05603	0.8
164.04813	1.1
182.02219	0.4
192.47014	0.2
197.04562	1.9
223.06177	0.8
291.25842	0.3
325.40103	0.2
363.04114	0.3
389.12582	0.2
459.06699	0.3
519.08209	0.3
636.00098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94600	0.1
55.01869	0.2
55.91991	0.1
57.03443	0.6
59.01118	0.2
59.01390	4.3
71.01383	1.6
73.02937	0.5
75.00887	0.2
83.01391	0.6
85.02953	1.5
87.00866	0.1
89.02437	0.8
95.01336	0.2
97.02924	0.3
99.04496	0.3
101.02417	0.7
113.02437	2.0
119.05003	0.7
123.08129	0.2
125.02455	0.3
130.90797	0.2
143.03552	0.2
147.04526	100.0
148.04892	1.4
167.03506	0.2
183.21358	0.2
189.12866	0.2
207.13911	0.2
239.59790	0.1
277.66516	0.1
379.38721	0.2
501.23502	5.5
543.24493	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	735.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.5
57.03450	0.9
58.00595	1.7
59.01387	55.3
60.57309	0.3
67.51001	0.4
69.03448	2.5
71.01383	35.3
72.99299	2.3
73.02940	7.7
75.00888	0.6
78.95856	0.5
81.03447	1.8
83.01395	5.4
85.02958	8.5
87.00870	6.7
89.02441	33.2
89.40401	0.4
91.04017	0.5
92.12337	1.3
94.34629	0.4
95.01372	2.8
97.02940	6.3
99.00863	2.6
101.02435	28.8
109.02930	0.8
111.00880	0.5
111.03813	0.4
111.04523	0.9
113.02438	12.9
116.92846	0.5
119.03506	8.8
122.66385	0.5
125.02442	9.1
129.01863	0.5
131.03537	1.4
131.63893	0.4
133.05054	2.1
139.03998	0.7
140.85995	0.4
141.01936	0.6
143.03497	2.9
149.04558	0.7
161.04570	4.9
169.04979	0.5
179.05614	4.8
217.07156	0.6
221.06718	1.8
235.08250	10.3
253.09373	1.0
263.07684	1.9
273.12372	0.4
277.21744	100.0
278.22104	3.3
287.07706	2.6
305.08716	2.9
323.09686	1.5
397.13550	89.5
398.13907	3.6
415.14584	33.1
416.14899	0.7
589.52356	0.5
675.35645	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	735.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00254	0.5
55.01891	2.8
57.03454	2.6
58.00607	1.0
59.01395	57.5
59.52572	0.5
62.80179	0.5
69.03461	2.6
70.57662	0.5
71.01392	35.6
72.99301	3.1
73.02955	6.9
77.71537	0.5
78.95896	0.9
79.73709	0.5
81.01740	0.5
81.03491	0.9
82.49657	0.5
83.01400	4.7
84.70526	0.5
85.02967	9.4
87.00887	8.6
89.02451	37.3
95.01389	2.5
97.02938	6.6
99.00880	3.6
101.02444	29.7
111.04539	1.0
111.42493	0.6
113.02454	15.9
119.03498	9.3
125.02438	11.5
133.05086	1.0
135.80603	0.5
143.03474	4.4
156.26662	0.5
161.04559	5.8
179.05629	5.7
221.06700	1.2
235.08221	10.3
253.09265	2.4
263.07687	1.1
277.21741	100.0
278.22156	4.3
287.07767	3.2
305.08792	3.9
397.13550	92.9
398.13678	3.0
415.14636	31.1
449.12494	0.6
583.06891	0.7
675.36310	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	735.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82846	0.5
59.01378	1.2
61.98839	1.0
62.75895	0.5
63.31656	0.6
71.47279	0.5
78.95902	85.2
95.04970	1.1
95.88905	0.7
96.96962	6.9
110.50500	0.6
127.11295	1.1
134.98450	0.8
150.97939	0.7
152.99586	55.1
167.67784	0.6
170.73221	0.7
171.10266	7.9
211.13432	2.7
229.14479	5.8
255.23318	100.0
256.23624	4.2
289.18060	1.3
325.20422	0.9
343.21301	11.1
391.22565	9.0
409.23700	4.1
479.20728	6.2
489.29990	0.7
735.44604	79.4
736.44910	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	735.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94488	0.7
57.03453	0.9
61.96915	0.6
69.14294	0.6
69.43394	0.8
73.44668	0.7
75.11240	0.6
75.90300	0.7
78.95900	19.7
99.08153	7.0
110.98512	12.9
125.09691	1.2
127.11293	6.7
132.59570	0.7
137.09671	0.9
139.11276	17.7
152.99573	1.5
155.10756	0.9
157.12344	1.2
166.99916	0.9
167.01132	6.8
171.10269	50.7
183.13913	1.8
211.13425	15.3
229.14433	10.6
254.44115	0.8
255.23309	71.2
256.23679	1.8
279.23325	3.5
293.21106	1.4
305.17572	1.1
310.79507	1.0
325.34949	0.8
329.23358	46.4
330.23627	0.8
423.25375	1.6
569.11804	0.8
633.58246	0.7
735.48291	100.0
736.48383	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95897	49.8
96.96952	2.9
105.61399	1.3
152.99602	36.9
277.21704	66.3
278.22165	2.4
279.23318	100.0
280.23776	5.3
329.64401	1.4
356.96490	1.4
456.25272	1.7
458.26971	1.6
600.16382	1.6
629.13458	1.6
736.49396	73.7
737.49646	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82853	0.2
54.85770	0.2
59.01392	33.0
60.32077	0.2
76.55133	0.2
79.95705	1.8
84.78320	0.2
86.75203	0.2
93.44650	0.2
96.96010	80.8
97.06576	0.4
109.34972	0.2
135.08139	0.3
147.08118	1.7
165.09235	0.5
204.76736	0.2
225.11348	30.1
226.11792	0.4
286.77377	0.2
305.07037	100.0
306.07254	1.7
452.65961	0.3
581.35077	0.2
657.11896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63476	0.7
55.01864	1.1
57.03457	5.5
59.01385	60.0
60.57300	0.6
68.99816	0.9
69.03450	0.9
71.01387	19.3
71.05027	0.8
72.99316	5.8
73.02936	3.9
75.00870	13.2
78.95885	0.9
83.01374	1.5
83.05038	1.1
85.02952	20.0
87.00874	8.3
89.02452	6.5
93.03458	1.2
93.61979	0.7
95.01364	5.1
95.14648	0.6
96.96030	0.7
99.00877	10.0
99.04513	2.7
101.02428	3.5
103.00364	1.3
113.02450	21.3
115.00358	1.3
117.01949	1.5
119.08652	1.4
122.76454	0.7
125.06073	1.3
129.01968	1.1
131.03450	1.0
135.08113	1.2
135.11780	1.1
136.05322	0.8
137.09714	10.2
139.07646	0.9
151.07573	0.9
153.09158	0.9
161.09708	3.1
163.07632	3.3
175.02426	1.8
179.10794	5.8
181.08665	9.4
197.11835	4.9
201.12849	3.8
203.10851	1.1
204.11566	4.8
219.13914	5.7
223.09732	3.2
229.00249	0.7
230.09387	1.0
231.05017	1.1
241.10754	1.3
245.11804	3.0
249.06184	14.3
263.12866	1.3
267.07202	10.4
315.14630	4.9
429.17880	1.4
431.15643	2.7
460.67084	0.8
491.18069	5.8
513.19897	1.3
553.65247	0.8
596.10242	0.8
719.29236	1.1
732.08124	0.8
737.30371	100.0
738.30927	8.3
745.79065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.2
58.02965	0.9
59.01395	7.8
59.53673	0.4
59.68830	0.4
64.05142	0.4
71.01387	4.1
72.00913	6.2
73.02925	0.4
74.02464	1.8
76.11681	0.4
82.02961	1.6
84.04546	2.1
85.02948	4.4
86.02486	0.9
88.95265	0.4
89.02441	2.9
91.05517	2.0
96.96010	0.7
99.04517	0.8
99.05630	1.6
101.02441	3.5
101.07202	0.6
109.04083	6.1
112.04045	0.9
113.02443	1.7
118.06613	0.9
119.03522	0.6
124.02789	0.9
125.02409	0.8
127.05132	29.0
128.03537	100.0
129.03877	0.7
131.07156	2.4
147.04535	25.7
162.05603	0.7
164.07182	61.6
165.07530	0.7
171.09322	0.6
185.07230	1.1
213.10414	3.2
231.11330	0.9
251.11526	0.5
257.09311	10.4
275.10385	18.4
293.11484	60.1
294.11804	0.8
395.16046	1.0
443.19296	12.6
607.61127	0.5
650.91187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12400	0.3
55.01869	1.6
57.03463	1.3
57.03709	0.3
58.00581	0.8
59.01387	42.7
68.99812	0.4
69.03461	1.5
71.01382	25.4
72.99288	1.8
73.02946	4.8
76.27630	0.4
78.86047	0.4
78.95899	0.5
81.03442	1.9
83.01385	3.3
85.02950	6.6
87.00878	5.8
89.02441	25.5
91.03999	0.5
95.01366	2.4
97.02935	4.3
99.00873	2.2
101.02437	20.8
103.04005	0.6
111.04507	0.5
113.02454	10.2
119.03497	6.9
125.02464	7.7
131.03490	0.8
132.90056	0.7
132.94661	0.6
133.01479	0.7
133.05046	0.5
139.04086	0.5
143.03491	3.0
161.04565	4.2
179.05559	2.9
221.06708	0.9
235.08223	6.0
253.09311	1.9
263.07660	0.6
277.09277	0.7
279.23306	100.0
280.23654	3.3
287.07709	2.3
305.08856	2.7
323.09863	0.6
375.93835	0.5
397.13541	73.1
398.13986	3.2
415.14615	23.1
416.15210	0.5
646.97662	0.5
677.37640	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	737.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82719	1.1
55.01870	1.1
56.85329	1.0
57.03445	1.6
57.42477	0.9
58.00607	1.6
59.01112	2.2
59.01387	46.0
67.31078	1.1
69.03458	1.7
71.01382	28.8
73.02934	5.7
78.95908	1.8
83.01395	1.8
85.02951	8.3
87.00863	6.0
89.02435	28.1
94.45594	1.0
95.01370	2.2
97.02935	5.2
99.00880	2.4
101.02440	22.1
107.62123	1.1
113.02461	15.6
116.92806	1.3
119.03489	6.2
120.74172	1.0
125.02438	7.6
143.03500	6.0
160.04021	1.1
161.04558	4.6
170.77135	1.2
175.24156	1.4
179.05655	2.8
221.06660	1.7
235.08195	9.3
279.23303	100.0
280.23602	5.5
287.07874	1.7
305.08762	2.4
376.89487	1.1
397.13525	76.0
398.13449	1.4
415.14618	27.8
416.76144	1.2
435.47827	1.7
677.37762	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45693	0.2
58.02972	0.2
59.01396	16.4
60.79930	0.2
81.02994	0.4
81.03455	8.3
83.05029	24.3
84.05354	0.2
100.07677	0.2
107.06124	0.3
108.04539	1.4
125.07194	2.0
126.05575	0.5
143.08272	1.2
152.62137	0.2
157.13542	0.2
207.15031	1.8
210.50848	0.2
224.17735	4.7
225.16104	17.9
226.16440	0.3
242.18784	0.5
290.22507	0.3
309.21918	1.0
324.26746	0.5
333.23074	1.4
341.10236	0.2
341.29364	1.8
367.27170	1.9
414.98267	0.2
419.67960	0.2
433.31882	1.6
450.34521	2.4
451.32956	11.8
452.33121	0.4
472.04852	0.2
550.43475	1.5
559.39172	0.8
565.44806	0.3
593.43945	0.4
659.48468	3.6
677.49786	100.0
678.49969	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	738.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.4
60.01704	0.3
61.98836	100.0
66.98352	0.3
71.01387	1.6
78.95904	1.3
85.80228	0.3
89.02450	1.6
100.35522	0.3
101.02446	0.7
113.02475	0.4
119.03532	0.3
141.77777	0.3
152.99634	0.6
221.34959	0.3
247.41956	0.3
253.18132	0.3
277.21771	1.5
278.22165	2.0
279.23199	2.8
280.22781	0.4
300.08139	0.4
397.13956	0.5
398.14081	1.3
399.14130	2.1
417.14899	0.4
418.16425	0.3
438.80777	0.3
646.26392	0.3
738.50873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22091	0.2
57.03453	1.9
59.01387	37.8
62.88855	0.2
68.41808	0.2
71.01374	0.3
76.50510	0.2
79.95758	1.2
80.94424	0.2
85.46327	0.2
92.65456	0.2
96.96004	91.5
97.06586	1.0
97.16073	0.2
99.04514	1.7
101.02434	1.0
104.96569	0.2
119.15359	0.2
123.04530	0.4
125.02467	0.5
125.73029	0.2
135.08162	1.1
147.08122	1.6
151.11270	0.2
163.04008	0.2
165.09241	0.9
174.73952	0.2
197.52040	0.2
201.44487	0.2
207.10312	0.3
216.29633	0.2
225.11359	34.7
226.11679	1.1
253.10628	0.3
265.12952	0.4
285.07736	0.4
305.07047	100.0
306.07370	3.5
307.13995	0.3
313.07120	0.4
409.17261	2.1
433.11862	0.3
509.34756	0.3
711.48566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43028	0.9
57.05136	0.9
59.01388	42.8
61.98835	1.3
68.33028	1.0
69.92042	1.0
70.74952	0.9
71.01384	26.4
72.99311	2.2
73.02952	4.5
78.95905	9.5
83.01418	1.9
85.02953	6.3
87.00880	6.1
89.02441	27.0
91.90559	1.0
96.96973	1.2
97.02946	4.4
99.00884	2.0
101.02449	24.1
110.29586	1.0
113.02484	11.1
116.92848	1.3
119.03485	7.9
125.02469	10.1
143.03517	4.3
152.99612	5.2
161.04578	4.3
166.87616	1.1
179.05658	2.3
182.70924	1.1
230.29388	1.1
235.08328	8.5
250.66583	1.0
253.09348	1.5
255.23335	1.6
279.23022	3.7
281.24881	100.0
282.25235	4.3
287.07892	1.5
305.08881	1.3
397.13522	83.9
398.14066	2.1
415.14520	26.7
500.47980	1.1
679.39612	2.4
718.27380	1.4
726.62085	1.2
739.39545	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	741.147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22734	0.3
57.91257	0.4
59.01373	0.5
61.98837	9.8
62.97363	0.5
63.99259	0.6
75.21852	0.4
77.03970	4.0
77.92227	0.4
78.95894	0.6
79.36754	0.4
92.65105	0.5
121.02954	100.0
132.05133	0.4
132.06252	0.4
140.17426	0.4
165.01936	44.5
180.05925	0.6
181.06631	2.7
225.05620	0.7
281.46857	0.5
313.07346	2.0
357.06363	6.5
639.82202	0.6
741.14856	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	741.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01386	8.0
59.97221	0.1
60.58204	0.1
65.03974	0.3
70.68793	0.1
71.01380	3.1
71.50080	0.1
72.99332	0.2
73.02951	1.9
75.00881	0.2
79.01876	0.1
83.01393	0.7
85.02943	1.6
89.02429	0.9
93.03451	100.0
94.03780	1.2
99.00886	0.3
101.02447	2.3
111.00852	0.2
113.02460	1.3
117.83802	0.1
119.03523	0.2
121.02937	0.7
123.16335	0.1
129.02002	0.2
137.02443	81.2
138.02747	1.1
143.03462	0.2
151.02789	0.6
152.03519	0.7
161.04553	0.6
193.05124	0.2
193.12379	0.3
257.03287	0.2
321.00726	1.2
331.25183	0.3
333.19412	0.3
355.17526	0.3
373.18680	0.3
375.20370	0.2
392.98126	0.2
397.18625	0.2
415.19800	8.2
457.20673	1.6
481.20779	0.8
499.21951	0.3
511.21939	0.3
535.31116	0.3
559.23920	1.4
697.27039	3.1
697.37384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54576	0.2
55.01880	0.4
57.03452	7.0
59.01384	82.2
60.01717	0.4
67.05527	1.2
67.35384	0.2
69.03467	0.2
71.01378	6.5
71.05025	0.4
72.99318	1.3
73.02945	2.8
83.01378	0.4
83.05020	1.3
85.02954	3.6
87.00866	1.5
89.02444	5.0
92.11707	0.5
95.01395	1.0
95.05033	0.4
97.02930	0.4
97.06583	0.4
99.00871	8.6
99.04491	3.8
101.02441	3.9
109.06591	0.4
113.02436	6.2
119.03522	1.2
119.08658	5.0
121.06587	1.1
131.03528	1.1
133.10248	1.5
135.08159	2.3
135.11794	1.6
136.05266	0.3
137.09706	15.3
138.06856	0.6
149.04576	1.3
151.07631	1.3
151.11418	0.4
152.07404	0.3
152.08443	2.2
153.09210	6.9
154.76176	0.2
159.02924	0.3
161.04544	1.3
161.09708	4.4
163.07614	2.7
163.11386	0.3
179.10768	7.9
181.08693	18.5
182.08995	0.5
191.05652	1.2
197.11832	30.2
198.12193	0.5
205.12340	6.7
223.09802	2.8
223.13437	0.5
241.10818	11.3
242.11409	0.4
286.33960	0.3
385.18591	0.4
403.62646	0.2
499.22064	0.6
517.23041	4.5
522.44299	0.3
723.32538	1.4
741.33478	100.0
742.33734	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	741.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.1
61.98818	4.4
78.95903	75.9
96.96956	19.6
97.06590	12.4
99.92537	0.8
116.92859	27.1
123.08199	6.0
125.09724	92.7
126.10049	1.0
128.96095	0.7
143.10809	1.4
152.99615	19.5
169.08679	2.7
187.09770	68.7
188.10057	0.8
223.00154	5.6
241.01221	34.5
255.23332	31.3
259.02222	2.7
295.22760	0.8
315.04797	0.9
323.08987	1.2
375.17340	0.8
391.22610	1.0
485.13965	1.2
563.05206	0.8
741.38330	100.0
742.38568	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01371	0.9
61.98813	0.8
64.34365	0.7
66.22950	0.4
78.95480	0.9
78.95902	19.1
79.93442	0.4
96.80746	0.5
99.08148	0.8
110.98530	15.8
113.09695	3.3
114.26333	0.5
125.43758	0.5
139.00580	0.5
139.11298	9.2
149.09666	0.6
152.99483	0.8
155.10757	0.8
167.01120	6.3
171.10268	15.7
183.10349	0.8
185.11765	1.2
193.12396	0.8
197.11841	0.5
211.13403	3.0
265.21756	0.5
275.63712	0.6
279.23309	100.0
280.23645	4.2
281.24908	4.3
291.19632	0.6
293.21274	12.6
311.22321	40.2
374.43658	0.6
410.12415	0.5
447.25055	4.6
479.24084	2.5
741.47192	44.5
742.47247	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	741.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45889	0.5
57.03458	0.5
59.01374	0.8
61.98828	0.5
63.11412	0.5
66.05924	0.6
72.73292	0.6
73.64774	0.5
78.95901	16.4
106.38891	0.6
110.98522	15.6
110.99283	0.6
111.08147	0.6
113.09702	2.6
113.42500	0.6
125.09733	0.9
127.11312	0.7
129.20598	0.5
137.09712	0.7
139.11275	8.6
142.82877	0.5
152.99615	0.7
167.01103	4.8
171.10269	14.8
184.06226	0.6
185.11859	1.0
193.12411	1.2
197.11775	0.7
199.13425	0.8
203.25221	0.6
211.13412	3.3
223.17009	0.8
247.61803	0.6
279.23309	100.0
279.52246	0.7
280.23691	4.9
281.24750	3.8
290.18884	0.6
291.19617	0.9
293.21274	13.3
311.22318	39.7
312.22482	0.8
322.73883	0.6
341.48904	0.7
400.43945	0.6
447.25113	3.3
479.24353	1.8
741.47150	43.2
742.47516	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4721
Annotation	Argimicin A
Peak:m/z	Relative Intensity
57.03440	0.8
57.03722	0.4
59.01389	1.0
62.43209	0.4
78.95902	19.3
83.05023	0.7
110.98531	17.6
113.09715	2.0
117.68975	0.6
119.38966	0.5
123.08238	0.6
125.09699	2.0
127.11355	0.9
129.09201	1.0
139.11314	3.2
155.10878	0.6
167.01170	6.1
169.12370	0.9
171.10268	18.3
181.12338	0.8
183.10341	1.0
183.14122	0.6
185.11848	3.0
193.12256	0.8
195.13927	1.2
197.11826	4.0
199.13452	2.2
201.11304	2.5
211.13387	4.8
232.93410	0.5
275.20074	0.8
277.21725	2.3
279.23318	100.0
280.23602	4.1
281.24902	6.1
291.19720	0.9
293.21262	8.7
295.22882	5.0
309.20935	0.9
311.22324	41.8
311.73383	0.5
348.07550	0.6
429.24081	0.8
447.25250	3.0
461.23404	0.7
479.24582	1.1
741.47192	60.0
742.47394	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	743.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.3
58.00617	1.1
59.01389	51.8
62.87090	0.2
69.99020	0.2
71.01390	32.0
72.99306	1.4
73.02969	0.6
83.01395	0.6
85.02973	4.5
87.00881	2.3
89.02447	57.4
95.01389	1.5
99.00919	0.3
101.02440	20.9
102.13673	0.3
113.02449	15.5
119.03487	20.3
125.02430	0.5
131.03510	2.6
143.03484	3.1
149.04533	2.0
154.39355	0.3
161.04590	4.5
179.05612	14.4
183.58688	0.3
201.57750	0.3
225.55159	0.3
265.52203	0.3
297.56021	0.3
341.10895	100.0
342.11292	3.1
745.67816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82491	0.3
55.01888	0.8
57.03456	7.1
59.01387	74.5
66.59383	0.3
67.05541	0.5
71.01385	5.8
71.05025	0.5
73.02939	2.4
79.05540	0.4
83.01419	0.5
83.05022	0.7
85.02946	2.6
87.00885	2.7
89.02451	3.3
93.53220	0.4
95.05029	0.4
96.95991	1.4
97.06598	0.8
99.00873	2.7
99.03969	0.3
99.04489	3.2
101.02437	4.0
112.01686	0.5
113.02440	3.1
119.03529	0.6
119.08652	5.1
121.06582	0.8
123.04513	0.6
123.08155	2.7
133.10269	1.5
135.08183	3.3
135.11813	1.8
137.09727	16.4
146.77815	0.4
153.09286	0.4
153.12917	0.5
159.02975	0.5
160.01346	0.4
161.04584	1.6
161.09732	3.8
163.07672	2.1
163.11348	3.6
167.79741	0.4
179.10779	6.6
181.08705	18.2
189.12871	4.7
197.11848	24.4
207.13930	5.3
223.09787	4.6
241.10822	10.6
253.05110	0.6
277.71899	0.4
328.17288	0.4
329.62296	0.4
414.39438	0.4
476.41385	0.4
519.24652	4.6
701.67432	0.4
725.34021	0.8
743.35065	100.0
744.35284	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	743.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82912	0.7
55.01868	1.4
56.02072	0.5
57.03442	1.2
58.00597	0.9
59.01386	95.4
71.00986	0.9
71.01382	27.1
72.99294	1.2
73.02941	3.9
77.70888	0.5
83.01385	3.5
85.02944	9.4
87.00864	1.4
89.02441	31.9
93.03457	0.9
93.28266	0.6
95.01357	3.1
96.96004	3.0
99.00854	3.0
101.02435	24.9
109.02944	0.6
113.02436	13.3
119.03481	10.2
124.56556	0.6
131.03545	0.9
147.04530	2.5
147.08221	0.6
161.04515	1.0
163.11281	7.4
167.03531	0.8
179.05629	0.7
181.08629	0.8
193.12311	2.4
197.12001	1.1
207.10284	14.9
216.66832	0.6
225.14745	0.6
305.63379	0.7
319.22742	4.5
369.15375	1.3
373.18494	1.3
386.68015	0.7
387.16632	22.8
388.16434	0.9
690.30951	0.8
699.32025	0.8
743.35059	100.0
744.35419	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	745.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.8
59.01102	0.5
59.01386	8.2
64.34171	0.3
71.01378	3.8
72.99267	0.2
73.02946	1.6
73.93493	0.2
75.00255	0.2
75.00843	0.3
80.02638	0.3
83.01382	22.2
85.02493	0.4
85.02947	3.0
86.58821	0.3
87.23771	0.2
89.02402	0.3
89.31403	0.2
90.41582	0.2
92.11774	0.3
95.01397	0.5
96.96007	1.1
99.00863	0.6
99.04514	1.2
101.02430	6.3
107.57092	0.3
108.02174	39.4
113.02435	2.9
123.04519	18.9
125.02433	1.9
128.03510	0.3
143.03484	0.6
152.01161	86.3
153.01488	1.4
161.04524	1.6
167.03500	100.0
168.03835	1.9
216.04309	0.4
238.78934	0.3
245.06656	8.3
287.07822	0.3
289.16550	2.7
296.91141	0.3
311.07730	0.6
329.08868	2.5
371.09833	4.4
373.18735	10.9
374.18604	0.3
380.15970	0.4
415.19864	0.5
522.75330	0.3
734.61029	0.4
745.29706	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	746.5
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60664	0.6
57.03435	1.1
64.34804	0.8
70.90598	0.7
78.95898	33.1
89.39790	0.9
92.12424	1.6
96.96975	1.0
99.08130	1.0
111.79632	0.8
113.09701	1.8
116.27192	1.0
122.00121	1.2
125.09496	0.8
127.11292	1.3
129.09195	1.2
136.49658	0.9
137.09859	0.8
139.11279	3.6
140.01202	10.9
145.31439	0.9
145.59808	0.8
152.99577	6.7
153.12875	0.9
155.10774	1.0
169.12334	1.4
171.10277	20.5
181.12375	1.5
183.10199	1.7
185.11830	1.9
193.12408	1.0
196.03810	8.4
197.11780	8.0
199.13394	4.5
201.11359	3.2
211.13445	10.6
252.98035	0.9
255.23312	92.3
256.23663	11.7
279.23306	28.5
280.23672	18.5
293.21271	15.1
311.22311	64.2
311.25449	1.4
312.22668	2.0
339.81073	0.8
342.88538	0.8
366.35336	0.8
452.27933	4.7
696.76392	1.0
745.50305	1.9
746.50098	100.0
747.50006	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	748.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81312	5.2
59.01380	31.9
71.01375	14.0
76.57732	8.3
89.02412	10.8
97.33378	6.4
225.22409	9.1
425.41757	7.1
490.84409	6.6
527.30359	7.0
712.53772	100.0
748.51886	47.3
778.61395	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	748.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47381	7.1
54.82867	8.0
59.01394	42.1
62.62402	9.2
71.01391	13.3
76.14994	8.5
76.57842	10.5
89.02442	15.3
115.26376	8.0
120.39545	8.5
218.98206	10.9
266.36374	10.1
293.47333	10.1
316.65793	8.8
409.14322	9.0
458.66827	9.5
532.47784	13.8
712.53711	100.0
748.51178	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46419	0.2
59.01384	7.4
63.28367	0.2
71.01375	3.8
72.99314	0.5
73.02942	1.6
73.59775	0.2
75.00869	0.4
83.01385	0.4
85.02946	1.7
85.48270	0.3
87.00862	0.4
88.13392	0.2
89.02431	2.1
93.03444	1.3
96.95997	0.4
97.02899	0.3
99.00861	2.2
101.02425	1.2
113.02430	2.1
117.03462	7.0
119.05012	87.2
120.05335	0.5
125.02385	0.4
145.02945	22.1
151.07617	0.4
152.08374	0.5
153.09216	1.7
157.28995	0.3
163.04001	100.0
164.04352	1.3
191.05630	0.4
205.12317	4.0
220.81210	0.3
253.05049	0.5
263.81476	0.3
266.82361	0.3
301.85416	0.3
321.88342	0.3
499.21649	0.4
541.22980	1.4
559.23773	1.6
663.25897	0.3
705.27637	11.1
706.27570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70095	0.3
55.01898	0.4
59.01389	7.2
63.85995	0.2
71.01389	4.1
71.92411	0.3
72.99309	0.4
73.02969	0.7
78.87909	0.3
83.01383	0.5
85.02945	2.1
87.00896	0.6
89.02426	2.2
92.12360	0.6
93.03466	0.5
95.01361	0.4
97.02956	0.4
99.00900	2.5
101.02449	1.7
106.82021	0.3
113.02436	2.2
117.03481	7.4
119.05030	91.0
120.05353	1.1
125.02442	0.5
131.03491	0.4
139.69072	0.3
145.02968	26.1
149.04523	0.3
151.07635	0.4
152.08490	1.3
153.09232	1.7
163.04019	100.0
164.04347	1.8
203.71187	0.3
205.12386	4.1
234.98454	0.3
238.03008	0.3
253.04971	0.5
372.00641	0.3
373.98953	0.3
499.21506	0.7
517.23120	0.4
541.22717	1.9
559.24280	2.2
663.26379	0.5
691.82007	0.3
705.16376	0.5
705.27716	12.5
706.27496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03456	1.8
58.02971	0.6
59.01389	9.7
68.59704	0.4
70.02977	8.6
71.01388	4.5
72.04548	5.8
73.02944	0.6
74.02470	100.0
83.01373	0.7
83.05006	0.3
84.04552	2.1
85.02932	3.2
88.04047	2.6
89.02452	1.6
92.66086	0.3
96.95998	0.7
98.02470	26.4
99.04517	0.5
101.02438	3.8
113.02457	1.8
115.00381	0.7
116.03533	55.4
117.03895	0.4
119.03482	0.4
126.21456	0.3
128.03529	6.0
130.94475	0.3
132.02965	1.4
132.04546	36.1
137.06003	0.4
144.04547	10.8
146.06155	2.2
158.06102	0.5
172.04015	0.7
173.07201	1.6
175.08751	2.5
189.06761	2.8
199.08673	0.4
201.06709	16.4
217.09879	0.5
219.07777	6.7
243.07877	0.5
261.08813	91.5
262.09140	3.0
305.07788	8.6
305.16168	4.2
346.36105	0.4
394.74997	0.4
395.15128	0.4
443.19284	10.9
444.19846	0.6
684.53827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.2
57.03468	35.8
58.00599	1.2
58.85976	0.5
59.01397	100.0
69.03448	0.7
69.91997	0.5
71.01390	48.7
72.28696	0.5
72.99323	4.0
73.02950	11.5
79.00441	0.5
81.03452	2.4
83.01388	8.7
83.05046	0.6
85.02952	17.5
87.00877	4.0
89.02444	35.9
92.11671	1.2
95.01372	3.7
96.96010	7.4
97.02927	0.7
97.06602	0.7
99.00880	3.4
99.04520	16.1
101.02440	45.2
107.05037	1.0
111.04532	2.3
111.08264	0.7
113.02448	24.0
119.00819	0.6
119.02678	0.9
119.03499	18.7
121.06622	0.7
123.04510	0.6
123.08114	0.7
125.02444	8.4
128.03535	2.9
129.01923	0.6
131.03450	0.8
139.54692	0.6
143.03510	1.2
159.03043	0.8
161.04562	5.6
167.04733	0.6
171.11790	1.0
179.05643	0.7
189.12822	3.0
203.08438	0.6
204.08592	0.7
219.13977	1.0
225.11241	2.3
237.14931	3.2
258.57687	0.7
276.97964	0.6
305.07080	6.0
332.12570	0.6
425.18329	1.1
443.19290	73.4
444.19519	0.9
451.73065	0.7
457.11099	0.6
476.20322	0.6
485.20374	35.3
486.20752	0.8
525.23547	10.7
527.21271	0.6
587.23517	65.6
588.23920	3.5
629.24786	5.2
749.28796	22.4
750.28906	0.9
783.18854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63681	1.7
56.50864	1.8
59.42923	1.7
78.95914	73.1
81.80475	1.9
96.97002	17.1
116.92931	1.9
118.23394	2.2
140.10347	2.0
152.99557	19.6
162.78239	1.9
171.10269	81.5
194.96571	2.1
198.24248	2.6
223.00185	8.1
241.01219	34.9
259.02307	3.9
279.23300	69.0
297.03781	2.5
307.09656	4.8
469.14688	4.0
577.28101	2.7
749.38910	100.0
750.38873	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	750.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.1
62.47655	0.8
65.51211	0.8
66.71354	0.9
71.01372	3.7
73.97047	1.5
78.15517	1.0
82.02983	1.6
85.04071	23.1
87.05627	5.6
88.04015	5.5
102.00206	1.1
109.04056	1.3
112.02781	1.1
117.01259	5.5
126.45787	0.9
127.05117	1.8
128.03539	49.3
133.06662	1.3
135.05650	3.8
148.05280	4.2
151.07629	2.0
152.03047	1.6
152.08315	1.8
153.06683	2.1
157.06192	37.2
159.07829	1.5
161.06110	9.2
174.02316	4.1
179.04608	5.8
180.02527	6.4
184.04854	1.0
189.03503	1.0
191.05022	1.3
192.02516	1.9
194.04120	1.4
195.04863	100.0
196.05492	1.5
196.07262	6.6
212.58450	1.2
224.10542	1.9
268.09448	4.2
280.21860	1.1
286.10480	42.6
318.07593	4.9
320.09222	38.5
463.32578	16.5
465.34180	2.2
750.44080	22.0
751.43597	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	750.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.1
67.95510	0.9
78.95902	24.2
83.77226	0.9
122.00140	1.5
140.01184	10.6
152.99606	1.8
164.09641	1.0
171.10216	3.8
183.13913	7.1
196.03712	4.5
206.59651	1.1
220.00276	0.9
235.17088	9.1
238.88515	1.0
275.20190	17.0
277.21750	100.0
278.22006	2.0
293.21313	27.1
341.50610	1.0
474.25848	1.3
490.25830	2.1
750.47247	49.6
751.47247	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	751.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82297	0.2
57.03469	0.3
57.22147	0.2
59.01392	4.8
60.37165	0.2
67.82852	0.2
71.01404	1.8
72.99314	0.2
73.02947	1.0
80.18427	0.2
85.02962	1.0
89.02450	0.9
89.34343	0.2
92.65196	0.2
93.03460	1.1
99.00879	1.0
101.02447	1.2
113.02466	1.3
117.03470	6.2
119.05022	81.0
120.05374	1.7
121.02942	0.2
123.08127	0.4
127.39923	0.2
130.56181	0.2
145.02962	20.3
146.03342	0.2
163.04013	100.0
163.11292	0.9
164.04332	2.5
189.12804	1.7
207.13902	1.4
225.14825	0.2
253.05084	3.6
254.05386	0.7
464.83273	0.2
501.23303	1.0
543.24225	0.3
561.25574	0.3
690.90924	0.2
707.29303	12.7
708.28766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18964	0.7
57.03442	1.1
59.01383	28.1
60.99314	0.9
71.01381	10.7
73.02937	7.4
83.01362	1.2
85.02934	4.1
86.09680	0.8
87.10393	0.8
89.02441	6.1
99.00832	1.3
101.02435	8.6
113.02425	4.7
265.94034	0.7
327.26837	1.1
371.25818	1.6
389.26965	6.7
441.37418	1.1
467.34979	1.5
469.36960	9.5
470.36700	0.9
485.36292	1.6
487.37909	14.6
503.37253	3.3
647.41644	9.5
665.42596	7.4
707.43842	100.0
708.43896	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	752.488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
71.83332	0.5
77.68156	0.4
78.95903	17.3
92.12395	0.6
96.96947	0.5
122.00111	2.5
140.01189	7.0
142.24928	0.5
144.48404	0.5
152.99529	3.5
153.94551	0.5
171.10242	2.9
171.67517	0.6
183.13911	2.1
194.47379	0.5
196.03848	4.1
211.32562	0.5
235.17053	5.6
245.02739	0.5
275.20181	9.2
277.21729	8.4
279.23297	100.0
280.23651	1.2
293.21268	14.9
295.22729	5.4
472.24866	0.8
476.28049	0.6
490.25797	2.3
631.87543	0.6
752.48846	39.7
753.49463	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	753.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16574	0.1
55.89122	0.1
56.19215	0.1
59.15039	0.1
60.85966	0.1
66.46011	0.1
73.02921	0.3
78.95897	0.8
83.14130	0.1
92.12390	0.5
93.09954	0.1
99.92577	12.2
100.92586	0.2
110.00904	0.1
114.93398	0.6
116.92854	100.0
117.01945	0.5
117.92873	2.1
152.99525	0.6
171.84407	0.2
239.30171	0.2
279.23352	0.8
471.66226	0.2
580.05096	0.2
730.05194	0.1
752.48334	0.2
753.49982	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69133	2.3
59.54420	2.1
64.49464	2.0
73.54619	2.3
78.95901	100.0
91.98335	2.4
92.12344	3.0
95.25847	2.4
116.92863	14.4
129.95433	3.0
134.26202	2.4
136.93167	9.7
152.92729	4.0
152.99600	3.5
178.94281	12.5
182.63678	2.5
188.46468	2.1
188.83258	2.7
190.94229	2.9
194.93768	41.0
198.44493	2.1
212.94820	3.3
220.95314	5.7
222.81709	2.5
226.96370	2.8
236.94795	4.1
250.96384	17.3
268.97366	4.3
280.87167	3.2
296.96967	13.7
314.98001	9.2
338.97955	3.1
371.00604	41.9
385.11548	2.6
399.16315	10.4
413.01709	11.5
415.15494	4.7
431.02731	64.5
526.03979	2.7
633.23376	15.7
693.25885	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	753.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87854	0.4
55.01882	0.9
57.03457	45.9
58.00597	0.6
59.01388	90.5
60.01702	0.6
71.01380	18.5
72.99312	0.7
73.02940	3.2
83.01381	2.6
85.02950	7.3
87.00889	0.6
89.02443	16.9
95.01359	0.8
96.95997	7.7
98.54228	0.5
99.00852	0.8
99.04512	27.6
101.02438	24.0
113.02454	7.2
119.03489	5.2
125.02428	8.2
128.03532	0.9
132.47255	0.5
137.26360	0.5
147.08205	0.6
161.04546	3.5
163.11290	35.4
164.11473	0.8
167.03502	1.1
176.07339	0.5
185.92957	0.5
221.10318	16.1
225.11325	2.3
263.11328	3.9
303.14499	2.2
305.06857	4.2
364.91840	0.6
365.14572	26.0
387.16663	100.0
388.17126	5.1
694.27936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14066	0.4
59.01387	0.7
78.95901	42.3
88.46601	0.5
96.96941	3.2
113.09738	1.0
152.99594	36.4
171.00652	0.9
171.06606	0.9
171.10277	6.6
181.12498	0.6
195.13922	14.6
277.21744	21.0
279.23300	52.7
280.23593	1.1
293.21414	0.7
295.22806	48.0
474.26376	2.3
754.50323	100.0
755.50690	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	754.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
78.95899	13.4
86.38210	0.3
90.83789	0.2
93.16795	0.2
96.96968	0.4
97.06609	0.2
113.09734	0.4
113.81885	0.2
115.29857	0.2
122.00098	1.7
140.01192	6.6
152.99594	2.0
171.10258	4.3
183.13945	1.0
195.13907	5.9
196.03812	2.7
275.20410	0.3
277.21741	11.2
279.23312	100.0
280.23584	3.1
280.92239	0.3
281.24820	1.2
293.21332	1.4
295.22815	31.4
296.23114	1.4
467.85703	0.3
474.26361	1.1
476.27832	1.4
492.27460	3.6
754.50360	42.2
755.50812	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	755.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82224	0.1
55.31804	0.1
55.52776	0.1
59.83369	0.1
62.42725	0.1
68.61935	0.1
68.78371	0.1
71.01383	17.3
77.03962	0.1
115.00369	8.6
121.02950	100.0
121.76515	0.1
122.03258	1.6
237.04073	13.9
238.04420	0.5
246.99097	0.1
280.08060	0.1
315.13376	0.1
369.05408	0.1
497.35214	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	756.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75572	0.6
59.01392	1.1
66.92950	0.5
67.88580	0.6
78.95902	44.9
82.79951	0.7
88.25802	0.7
90.13882	0.7
96.96939	5.9
105.37782	0.6
109.08318	0.7
110.98479	0.8
113.09732	2.6
113.18356	0.7
152.99594	42.3
153.99991	0.6
171.10284	10.5
172.10620	0.7
177.12924	0.8
195.13913	14.6
211.15724	0.7
240.65938	0.7
255.23378	0.9
277.21729	23.4
278.22049	1.1
279.23245	8.3
280.23608	3.4
281.24875	35.9
282.25189	1.1
295.22809	50.8
296.23190	4.4
382.91013	0.8
460.28464	1.2
465.68103	0.7
478.29993	0.8
756.51892	100.0
757.52716	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	756.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49156	0.9
58.38016	1.0
78.95911	54.6
96.96948	5.9
110.98534	1.7
123.71699	1.0
152.99597	50.1
171.00638	1.4
171.10287	15.2
195.13943	15.1
233.22711	1.1
277.21753	33.3
278.22168	1.5
279.23294	10.2
280.23544	1.4
281.24857	47.1
282.25272	2.2
294.21561	1.2
295.22803	59.2
318.54514	1.1
398.90735	1.0
653.42474	1.3
756.51978	100.0
757.51941	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	757.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82848	0.9
55.01883	5.4
55.26886	0.6
57.03188	1.2
57.03456	22.1
57.52680	0.6
59.01384	4.9
60.34261	0.7
63.68782	0.7
68.99804	1.0
71.01386	6.4
72.99299	2.0
75.00862	4.7
76.95762	0.8
83.01383	7.5
84.02192	1.1
85.02956	100.0
87.00888	1.1
93.45245	0.7
96.96003	3.3
99.04525	0.9
101.02457	0.9
111.00896	19.3
120.01240	1.3
121.02953	9.1
123.00854	8.8
123.04510	3.9
127.04040	1.5
129.01933	40.1
135.04527	1.1
137.02342	1.1
138.03220	16.4
138.04137	1.2
139.04024	0.8
147.03011	10.6
147.04341	2.3
149.02448	32.2
150.03198	0.9
151.04008	1.1
153.01854	0.9
153.05591	7.2
163.04001	3.2
164.04803	20.5
166.99820	4.4
167.03491	1.1
173.00900	15.7
175.00333	1.2
178.02545	0.8
179.07185	1.7
182.02185	15.7
190.02681	1.1
191.01979	4.4
194.71027	0.8
197.04570	28.2
205.05070	4.7
205.26031	0.9
208.03767	0.9
223.06160	25.5
225.11371	0.8
237.07639	1.5
257.08145	1.3
265.07281	4.0
285.07706	4.0
291.08704	1.5
301.51086	0.9
305.07059	1.6
313.07217	3.6
327.07193	8.2
353.08771	3.5
359.10080	6.2
397.07858	9.4
433.11337	6.0
434.11221	0.8
489.12585	5.2
533.11609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49549	0.3
55.03080	0.4
59.01388	18.1
67.05524	0.4
68.42092	0.4
71.01378	2.9
72.99300	0.7
73.02953	0.7
83.01322	0.4
84.37757	0.3
85.02949	2.5
88.98789	1.5
89.02399	0.6
95.01388	0.7
99.00893	0.9
101.02428	1.8
108.02174	47.5
109.02972	9.7
113.02422	1.7
121.02924	0.6
121.60789	0.5
123.04482	0.5
133.02884	0.5
135.04491	0.9
135.11789	1.6
151.04079	0.7
152.01163	100.0
153.01926	4.2
161.04570	0.4
163.04025	4.3
167.03517	1.5
177.01913	0.5
179.03592	0.6
179.10796	6.6
181.05087	0.8
207.03143	0.7
269.04596	0.9
315.07190	1.8
343.65808	0.4
382.73352	0.4
429.10440	12.6
447.11392	5.7
560.04321	0.5
609.12073	0.7
609.21973	19.3
609.31396	0.8
610.22668	0.5
653.21069	10.7
654.21454	0.7
671.21362	0.7
713.23077	30.4
714.23462	3.7
734.93304	0.5
786.70691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03458	0.7
59.01387	19.8
69.03460	0.5
70.43443	0.3
71.01382	13.2
72.19331	0.3
72.99285	0.3
73.02943	10.1
77.46699	0.3
81.03449	2.3
83.01385	3.1
85.02957	8.1
87.00856	0.4
89.02438	4.4
93.03436	1.4
95.01366	3.6
99.00849	1.5
101.02442	12.4
108.02172	93.6
109.02952	52.8
110.03256	0.8
113.02433	5.6
119.03461	1.4
121.02938	1.9
123.00834	2.4
123.04529	1.5
125.02438	0.7
132.14212	0.4
133.02953	0.7
135.00861	0.4
135.04506	0.4
137.02451	0.4
143.03484	0.4
149.04691	0.4
150.57805	0.4
150.68884	0.3
151.04092	2.6
152.01157	100.0
153.01944	30.3
153.03267	0.4
154.02246	0.6
161.04581	1.6
163.03993	2.8
165.01892	0.5
167.03557	0.7
181.05054	0.4
193.12381	1.4
211.13477	0.7
246.89989	0.3
297.06238	0.5
315.07211	3.9
373.18591	0.5
415.19910	0.6
654.24030	0.4
671.25696	4.9
713.26709	92.3
714.27045	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	757.293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82557	0.1
66.23771	0.1
67.35006	0.1
67.94247	0.1
71.01380	17.4
71.55193	0.1
77.03999	0.1
92.11740	0.2
115.00363	9.4
121.02946	100.0
122.03265	1.3
188.36118	0.1
237.04056	13.3
238.04387	0.4
245.92256	0.1
252.04062	0.1
264.29517	0.1
366.21078	0.1
426.99432	0.1
672.30383	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	757.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57753	1.1
57.03439	6.5
57.41186	1.3
59.01385	97.0
61.94888	1.1
63.67933	1.3
64.34793	1.4
65.16293	1.3
71.01365	6.5
73.02922	2.8
87.00845	2.0
89.02426	6.3
99.00866	1.6
99.04520	2.0
101.02403	2.9
113.02446	2.8
119.08624	6.2
135.08139	3.0
135.11702	2.1
137.09714	16.6
156.84441	1.9
161.09702	2.6
163.07663	1.7
179.10851	10.9
181.08681	23.5
197.11823	33.0
223.09767	6.5
241.10797	16.9
447.22214	3.0
489.23648	11.5
495.52390	2.3
614.30865	1.8
713.33966	100.0
714.33917	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	759.215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30610	0.3
57.03452	8.8
57.41700	0.3
57.77087	0.3
59.01381	18.9
63.02378	0.9
65.00019	0.4
65.00322	5.7
71.01350	0.7
73.76624	0.4
76.05009	0.3
81.03442	3.3
83.01372	8.4
85.02917	1.6
91.04774	0.3
92.12393	1.4
93.03444	3.9
95.01353	0.6
97.02926	0.5
107.01363	8.5
107.05016	0.5
108.02147	0.8
109.02922	1.6
111.00877	0.5
113.02411	0.4
117.03443	2.5
119.04996	0.5
121.02941	0.7
123.00941	0.4
123.04527	2.4
124.01640	2.6
125.02415	79.3
126.02737	0.4
131.05020	0.8
133.02939	3.2
134.03615	0.4
135.00806	0.4
135.04514	0.5
137.02420	1.4
147.00880	0.4
149.02461	4.5
150.03159	0.5
151.00354	30.0
152.01147	9.5
153.01929	9.4
155.05022	0.6
156.05806	1.3
157.06557	1.9
158.03691	1.5
159.04482	2.0
161.09949	0.5
163.00359	2.6
164.01233	0.3
165.01952	0.8
167.03439	2.4
169.01442	1.4
169.06592	1.9
171.04543	0.6
172.05286	3.0
173.06041	9.2
175.03995	2.1
175.07648	0.5
176.01125	5.2
177.05524	5.0
178.99849	12.0
179.03491	1.4
179.10767	0.8
180.05785	0.5
181.06558	2.3
187.07629	0.7
196.05251	0.7
197.06082	2.6
199.03951	3.0
199.07613	1.8
200.04756	1.6
201.05603	6.4
203.03505	0.5
213.05544	2.5
215.07127	9.5
219.06549	0.6
225.05589	5.7
241.05110	5.8
243.06619	8.8
253.05125	3.0
254.05380	0.8
259.06116	100.0
260.06372	2.4
268.03864	1.5
269.04559	94.6
270.04822	2.0
283.06000	1.5
284.07129	0.4
287.05624	52.2
288.05948	0.6
311.05637	0.8
341.01956	0.3
348.31763	0.4
449.10837	0.8
504.05270	0.4
593.20483	2.6
611.21387	21.7
612.21283	0.7
637.19055	0.8
655.20447	17.7
656.20496	0.8
673.21429	0.9
715.22455	15.7
726.72260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.1
56.59966	0.8
57.03441	1.0
59.01388	100.0
71.01386	13.9
71.78736	0.9
73.02943	3.8
83.01401	2.3
85.02944	7.0
91.86749	1.1
99.00874	2.0
101.02435	7.6
112.85484	1.1
113.02460	5.7
153.55391	1.1
158.88884	1.1
161.04512	1.8
235.00685	1.0
238.85971	1.0
243.99623	1.0
637.43353	13.2
679.44043	17.7
718.57336	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.3
57.03456	10.4
59.01112	0.2
59.01386	4.2
65.72707	0.2
67.01894	0.8
68.99811	1.4
69.03455	2.7
71.01382	7.4
72.99306	4.5
73.02951	1.0
75.00868	36.8
76.01229	0.2
78.95904	0.3
80.81933	0.2
82.95418	0.7
83.01381	2.2
84.02174	0.9
85.02949	44.5
86.03261	0.2
87.00877	4.5
89.02431	0.4
92.11724	0.2
95.01390	3.5
97.02946	4.4
99.00869	4.1
101.02464	0.4
103.00351	0.2
111.00903	0.5
112.01672	1.2
113.02450	25.5
115.00368	1.4
116.01160	4.5
117.01940	1.7
125.02440	7.2
129.01961	1.0
152.99599	0.2
157.01434	2.2
159.36597	0.2
175.02544	1.0
353.38135	0.2
463.36365	0.2
583.40472	0.2
650.29858	0.2
659.42157	1.0
759.43311	100.0
760.43524	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	759.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36672	3.7
78.50474	3.7
78.95918	43.0
80.35481	3.2
92.12393	5.2
92.65982	3.4
94.19536	3.4
94.71994	3.7
95.81734	3.4
96.96921	3.8
99.72877	3.9
112.60680	3.0
152.99585	31.5
171.00687	4.7
183.13797	4.6
190.12759	4.3
211.13382	5.1
211.17938	3.7
219.48445	3.6
235.16978	6.3
247.05724	3.7
255.23352	100.0
275.20218	15.3
279.23291	23.3
293.21313	26.8
343.44510	4.3
561.89917	4.2
598.27460	3.8
607.22925	5.2
714.50110	4.4
759.48132	86.5
760.48608	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	759.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07926	1.1
54.82339	1.2
56.53142	1.1
56.76044	1.1
56.92254	1.0
64.11288	1.1
78.95903	22.3
99.08193	2.7
110.98544	19.3
116.55377	1.2
126.70671	1.3
127.11281	7.0
137.09724	1.3
139.11292	11.2
144.56134	1.3
151.15317	1.2
152.99576	1.9
167.01138	5.8
171.10271	39.8
183.13947	2.0
211.13403	19.6
229.14500	12.0
272.94806	1.1
279.23315	100.0
280.23636	3.0
329.23376	40.2
330.23941	1.6
404.33209	1.4
447.25174	1.8
603.24518	1.5
674.99951	1.5
759.48157	90.1
760.48230	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	760.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.5
61.98820	1.8
63.17628	1.1
67.51284	1.0
76.57623	1.1
78.95901	16.0
88.32986	1.1
123.08156	2.5
127.11291	2.7
135.08167	1.8
152.99585	1.6
168.04253	2.6
170.02490	1.2
171.10294	2.3
199.13411	100.0
200.13840	1.4
218.46056	1.7
224.07014	1.8
255.23308	9.1
279.23291	39.2
289.18182	5.9
319.27399	1.3
423.21442	1.1
529.45349	1.3
686.44025	52.8
687.44287	1.4
760.47656	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	760.478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01155	0.9
59.01391	15.9
61.98832	1.8
67.24850	0.7
78.95904	16.4
82.64574	0.8
121.99998	1.0
152.99623	1.9
168.04324	3.4
199.11580	1.3
199.13425	38.7
224.06819	1.2
249.14986	1.1
255.23242	8.8
279.23309	100.0
280.23648	5.7
289.18094	3.8
336.98434	1.0
355.27539	1.2
424.21646	1.1
686.44159	52.2
687.44617	3.4
760.47650	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	761.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14346	0.2
53.80896	0.3
55.01883	0.3
57.03450	0.4
58.02983	10.5
59.01388	23.5
61.56581	0.3
63.73867	0.3
64.54241	0.3
69.89069	0.3
70.02982	9.5
71.01382	10.5
71.18593	0.3
72.00908	3.5
72.04547	1.8
72.99301	0.4
73.02944	18.3
74.02471	51.6
83.01379	3.3
85.02953	0.7
87.00890	0.3
89.02417	2.1
96.95988	6.7
98.02464	11.9
101.01765	0.5
101.02432	12.1
102.67642	0.3
113.02444	3.2
116.03532	16.3
116.05037	21.3
119.03500	0.7
119.62740	0.3
130.06601	2.1
131.03429	0.5
142.06589	5.4
143.03516	0.6
149.04515	3.0
155.03462	0.5
159.09274	5.7
161.04544	4.8
183.09306	1.3
186.05594	1.9
201.10356	5.2
203.08267	58.6
204.08595	0.7
214.19031	0.4
221.06665	2.4
243.12723	0.4
245.09302	100.0
246.09641	2.0
269.04504	0.8
270.04980	0.8
289.07611	4.7
314.11591	0.6
365.13132	0.4
392.97910	0.4
487.64120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.498
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63941	1.5
68.86152	1.7
69.92268	1.5
78.78590	1.6
78.95897	35.8
87.91166	1.6
96.96935	1.8
97.45280	1.7
100.60480	1.6
110.41991	1.7
112.94061	1.6
113.09652	1.9
149.98705	2.0
152.99623	26.7
169.26729	2.0
171.00688	9.5
171.10291	14.8
181.14796	1.8
195.13846	19.3
255.23334	83.5
277.21744	34.5
295.22803	81.6
295.25980	3.5
296.23044	3.5
371.45798	1.8
761.49817	100.0
762.50134	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	761.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
74.49030	1.6
78.95904	33.1
85.58340	2.0
92.11792	2.9
128.92325	2.1
135.62198	2.1
152.99597	28.2
171.00674	7.9
171.10249	15.0
195.13947	15.9
255.23338	74.7
256.23749	3.1
277.21729	37.7
283.26337	7.7
295.22757	67.4
295.25916	3.0
362.67496	1.9
483.27560	3.0
761.49854	100.0
762.50244	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	763.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22210	0.3
54.27074	0.4
57.03457	0.9
59.01396	0.6
65.03944	0.7
67.01900	0.8
71.01364	0.7
77.97114	0.4
79.05514	2.7
83.01394	0.5
85.02912	0.6
87.62276	0.5
91.05490	0.6
92.11681	1.2
92.72836	0.5
93.03436	3.4
95.01385	2.5
96.95993	3.5
105.03455	1.8
107.01397	0.7
107.05037	3.8
108.02190	0.6
109.02943	11.3
118.94193	1.8
119.05010	1.9
121.02937	7.9
122.03722	5.9
123.00971	0.7
123.04513	60.7
125.02485	0.6
133.02962	5.9
135.04533	16.3
136.01616	2.0
137.02435	7.3
138.03227	0.6
144.11870	0.6
145.02994	1.9
147.04520	1.1
148.01674	1.1
148.05342	0.7
149.02446	14.2
150.03218	14.5
151.04008	24.9
152.69975	0.4
158.34274	0.5
159.04358	0.7
161.02425	1.8
162.03284	0.6
163.04010	29.7
164.04771	0.6
165.05511	0.7
167.03508	4.7
175.03993	0.5
177.01901	3.7
178.02690	5.5
179.03511	1.1
181.05112	6.8
182.02193	2.7
183.87378	0.5
189.01886	1.2
191.03394	0.7
195.02975	0.7
197.09793	0.5
205.01443	3.8
206.02202	0.6
207.03040	3.0
208.03709	2.4
213.09357	0.8
216.07629	0.5
217.05063	0.7
227.07114	0.8
235.02489	1.1
236.03244	0.7
237.04007	0.8
239.07130	3.1
241.08765	6.5
243.06651	7.4
253.08704	2.0
255.06631	3.3
257.08218	14.8
267.06644	2.5
269.08176	10.3
271.06207	0.8
281.08215	2.9
283.06097	2.0
285.07700	64.8
286.07959	1.9
297.07687	12.7
299.09085	1.1
313.07220	81.7
314.07663	3.7
314.10873	0.6
315.08804	24.1
316.08942	0.8
325.07138	1.8
327.05246	0.6
327.08694	0.9
329.06567	1.8
343.08249	34.9
344.08633	0.7
355.08206	2.8
383.95963	0.5
385.09320	0.7
415.10529	3.6
433.11423	100.0
434.11789	6.0
579.26532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13759	0.1
53.72626	0.2
55.01897	1.4
55.42549	0.1
57.03461	2.5
58.00593	0.8
59.01387	27.5
63.67963	0.2
68.99821	1.8
69.03451	0.4
70.74030	0.1
71.01382	25.8
72.82915	0.2
72.99316	2.0
73.02933	1.1
75.00871	17.1
75.29912	0.1
75.67357	0.2
83.01382	3.4
84.02144	0.4
85.02950	18.2
86.00098	0.4
87.00876	3.4
89.02442	17.3
90.00395	0.2
95.01385	4.2
99.00874	18.4
101.02435	3.8
111.00874	0.3
112.01660	1.6
113.02448	13.7
115.00367	0.9
119.03489	0.2
129.01926	1.3
131.03491	2.6
139.00328	0.8
149.04567	0.2
157.01413	3.1
191.05615	0.2
197.67392	0.2
249.05983	0.3
307.24243	0.2
375.26886	0.7
391.30103	4.1
407.33218	5.7
408.33792	0.2
423.32950	0.2
435.32584	1.2
455.35349	2.4
485.38055	0.2
499.34506	0.3
613.37549	1.0
763.42847	100.0
764.43195	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	763.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.9
57.03459	5.0
58.00596	0.9
59.01389	17.3
67.01891	0.3
68.99818	1.3
69.03446	0.5
71.01384	20.8
72.99319	1.8
73.02950	1.8
75.00872	17.0
83.01382	2.9
84.02172	0.3
85.02951	29.2
86.00103	0.4
87.00872	2.1
89.02441	11.3
92.11586	0.4
95.01382	4.8
99.00876	17.0
101.02436	1.8
111.00864	0.4
112.01657	1.3
113.02449	20.5
115.00383	0.4
119.03400	0.2
119.57291	0.2
129.01959	0.9
131.03502	1.1
134.01912	0.2
139.00368	0.5
157.01408	2.8
177.20343	0.2
339.84033	0.2
375.26926	0.3
377.87976	0.3
387.21942	0.2
391.30106	5.1
407.33282	5.9
423.33395	0.3
435.32654	1.9
455.35486	1.8
499.34363	0.5
569.38452	0.3
613.37128	0.3
763.42816	100.0
764.43359	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	764.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82384	0.5
57.03461	6.5
59.01382	3.4
72.00904	3.8
74.02471	7.0
82.02986	3.2
84.04540	2.6
85.02952	1.0
85.04057	2.4
90.19380	0.5
96.96004	7.2
97.02943	1.1
99.04513	3.2
101.02460	1.0
101.07206	1.3
109.04060	2.4
113.07190	0.7
116.05054	18.5
123.05630	2.5
125.02435	11.7
127.05125	11.2
128.03531	100.0
129.03862	1.4
141.06693	10.2
142.06631	4.7
151.00409	1.2
153.06763	0.7
159.09328	6.2
167.04607	10.9
185.05649	5.3
203.08293	36.3
225.11369	2.3
255.03084	0.7
270.12543	2.9
273.03308	0.7
305.07016	6.9
306.07434	0.9
314.11496	11.4
314.99942	0.8
331.60556	0.7
332.12543	47.0
333.12949	1.4
351.27975	0.7
431.11929	4.3
656.50824	0.7
759.93640	0.7
787.77997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82903	1.2
57.41226	1.1
58.43731	1.1
67.37945	1.1
67.99148	1.1
74.17926	1.2
78.95901	38.9
83.05022	1.1
91.44820	1.1
92.11751	5.1
96.96976	1.9
99.08139	5.7
100.48940	1.2
114.16270	1.1
125.09752	1.7
127.11285	2.2
139.11290	12.5
140.01193	8.8
152.99557	11.1
171.10286	40.0
183.13901	6.0
196.03812	4.7
199.13341	1.2
211.13420	25.4
211.15268	1.8
229.14421	15.1
255.23303	60.4
256.23700	1.5
279.23398	4.4
283.26526	8.7
284.26746	7.9
329.23389	45.8
420.26343	1.4
692.69873	1.6
751.42957	1.3
764.50702	100.0
765.51263	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	765.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51418	0.3
57.11869	0.3
59.01156	0.3
59.01392	5.9
62.36015	0.3
65.00316	0.5
69.14635	0.3
71.01385	0.7
74.02472	0.8
83.01368	0.8
85.02954	0.5
92.12424	0.8
96.95987	0.5
101.02444	0.7
107.01393	0.4
117.03458	2.0
123.04507	1.8
124.82295	0.4
132.02168	3.9
133.02898	0.8
135.00873	0.5
135.04494	0.6
151.00386	1.3
151.04033	0.4
153.01982	0.5
163.04021	0.4
169.06511	0.4
176.01166	2.8
177.01862	0.4
179.82170	0.4
180.05923	0.4
184.05341	0.4
195.04529	0.9
196.05276	0.7
197.05942	0.5
199.03973	0.6
201.05649	0.6
203.08307	0.8
211.04010	3.6
212.04825	2.3
213.05519	0.4
223.04036	2.7
224.04767	3.4
225.05542	2.5
226.02718	2.0
227.03528	1.3
239.03529	10.3
240.04324	4.4
241.05000	0.5
241.08838	0.4
245.09364	1.7
252.04283	0.5
253.05045	9.4
254.05473	1.4
267.03015	12.7
268.03790	100.0
269.04547	52.6
270.04965	2.0
271.64908	0.4
281.04620	1.4
282.05286	0.5
285.07666	1.6
311.05704	7.0
313.07172	3.5
315.08960	0.5
333.74426	0.4
343.08414	0.5
389.18375	0.8
431.09790	0.7
431.19370	7.0
450.16714	0.4
473.10962	83.2
474.11154	4.1
475.12469	2.5
515.11908	2.9
575.33337	0.4
619.39368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61613	0.5
55.01882	5.5
57.03455	29.4
59.01383	7.1
59.37248	0.6
67.01873	0.7
71.01379	8.7
72.69898	0.5
72.99332	0.6
73.02923	2.5
73.46278	0.7
75.00858	0.5
79.79890	0.6
83.01384	10.1
84.02142	2.4
85.02946	100.0
86.03278	0.7
86.90835	0.6
87.00855	1.0
89.02448	1.4
93.45853	0.6
94.46091	0.6
99.00863	1.3
99.04492	1.4
101.02423	7.4
111.00170	1.2
111.00885	28.9
117.39599	0.6
119.05022	23.5
121.42955	0.6
125.02396	1.4
128.03485	0.7
129.01936	41.0
133.02977	0.7
145.02972	1.2
147.02992	1.0
161.04538	3.6
163.03996	20.2
187.02475	1.2
205.03537	32.6
206.03946	0.7
223.04605	41.4
251.11368	0.8
279.38083	0.6
314.58743	0.7
336.28192	0.6
369.08255	32.1
369.12210	2.9
395.15536	3.5
443.19400	1.1
470.98514	0.7
498.23529	0.7
534.90808	0.6
606.73071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	16.0
59.19514	3.0
61.04426	2.3
62.39447	3.0
71.01374	12.3
73.04068	3.7
75.00878	14.5
83.02509	3.6
85.02940	19.8
85.98119	2.6
89.02431	2.7
99.02013	5.0
101.02410	4.5
111.01994	3.5
113.02444	13.7
113.03575	6.4
116.05034	3.2
119.05027	7.3
121.02942	2.9
130.06360	5.0
130.08739	33.5
133.01073	2.9
134.03749	3.7
141.06703	15.8
142.06622	11.8
143.11919	15.2
154.05389	4.8
159.05644	6.9
163.75037	3.4
169.09793	4.6
183.05670	5.7
185.07195	11.9
198.04362	3.5
212.06035	3.8
225.06720	4.5
226.12053	4.2
240.11615	4.1
258.12473	4.1
266.12949	3.7
269.04623	11.6
280.10968	6.2
309.13733	13.1
322.33554	3.8
327.14676	16.1
337.14340	6.7
433.18228	4.6
525.23199	3.5
530.20636	7.2
551.03296	3.3
568.64368	3.2
661.30060	62.6
705.32617	100.0
706.33057	10.3
765.45184	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	765.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
59.01377	5.2
64.71617	0.3
69.03432	0.8
71.01382	1.6
71.05015	4.7
73.02944	0.5
79.03233	0.3
81.03449	0.5
82.96637	0.4
83.05015	1.9
84.02142	0.8
85.02941	2.9
85.06577	0.4
87.04481	0.9
95.04996	3.1
97.06596	0.8
101.02415	0.5
106.04225	0.5
108.02155	0.5
109.06579	1.9
112.93614	0.4
113.02393	0.4
115.07656	0.4
119.05029	0.5
123.08175	0.5
125.09721	0.6
127.07639	0.7
127.11259	0.9
132.42770	0.4
133.06621	0.6
135.08139	1.7
152.01288	0.4
153.09207	0.6
163.03983	1.6
171.10260	18.0
183.13925	0.7
185.11832	0.8
191.14397	0.6
195.13899	0.4
197.11768	0.7
201.11375	0.7
209.11920	0.8
211.13412	5.3
221.11842	0.6
225.11290	0.4
229.12346	0.4
229.14465	8.7
235.13542	0.4
237.14923	2.6
245.19121	0.9
249.15088	0.5
255.16063	0.7
267.16064	0.7
287.05960	0.4
289.18015	4.1
307.19324	3.0
323.18500	0.4
325.20374	3.6
343.21283	100.0
344.21600	2.2
618.48901	0.4
765.29913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
57.03456	4.0
58.00589	0.3
59.01383	14.8
61.02398	0.2
67.01888	0.2
68.99803	1.6
69.03438	0.3
69.12125	0.2
69.38186	0.2
71.01378	17.0
72.99284	1.6
73.02947	2.0
75.00864	16.7
75.01291	0.6
78.52068	0.2
81.55782	0.3
83.01376	2.6
85.02945	24.8
86.00066	0.3
87.00851	1.4
89.02433	9.4
95.01369	3.7
99.00870	13.2
101.02414	1.5
111.00852	0.4
112.01649	1.6
113.02441	17.4
115.00349	0.4
116.41018	0.2
128.39890	0.2
129.01859	0.3
131.03490	1.1
139.00357	1.6
157.01389	2.0
293.50314	0.3
391.30057	0.4
398.12180	0.3
407.33359	0.5
437.34396	1.5
457.36862	1.3
501.35278	0.4
615.38959	0.5
765.44342	100.0
766.44482	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	765.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
57.03453	2.9
58.00599	1.0
59.01384	29.7
60.99314	0.1
67.01882	0.3
68.99815	1.5
69.03448	0.2
71.01378	25.8
72.99303	2.5
73.02942	1.3
75.00865	17.7
83.01379	2.4
84.02174	0.2
85.02944	17.3
86.00094	0.9
87.00864	3.1
89.02435	17.7
92.65279	0.2
95.01377	4.4
95.01968	0.2
97.60367	0.1
99.00867	16.0
101.02427	3.5
111.00858	0.3
112.01659	1.4
113.02438	13.1
115.00383	0.7
119.03548	0.2
129.01927	0.8
131.03488	2.6
139.00371	0.8
140.38213	0.1
149.04601	0.7
157.01405	2.6
157.02495	0.2
175.07578	0.1
231.61124	0.1
249.06113	0.2
359.27481	0.2
391.30194	0.8
407.19299	0.2
407.33441	0.6
425.34399	0.5
437.34241	1.4
444.31677	0.1
455.35388	0.1
457.36823	1.6
501.35861	0.2
615.39197	0.8
765.44336	100.0
766.44672	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	765.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20274	0.3
55.01892	2.5
57.03192	0.3
57.03456	7.3
59.01107	0.4
59.01386	11.0
59.25428	0.3
60.44139	0.2
62.09023	0.3
67.01909	0.3
68.99825	0.4
69.03454	0.3
71.01382	7.3
72.99310	3.6
73.02943	0.8
75.00870	32.6
83.01377	1.6
84.02171	0.6
85.02948	34.4
87.00860	4.2
89.02428	1.6
95.01379	2.6
99.00881	2.6
101.02441	3.0
112.01655	0.5
113.02444	22.6
115.00387	0.7
116.01156	2.7
117.01922	1.2
129.01935	1.2
131.03519	2.2
133.79539	0.3
157.01431	1.8
173.84142	0.3
175.02501	0.6
245.73367	0.3
364.63443	0.3
467.32504	0.3
502.65610	0.3
765.44379	100.0
766.44733	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	767.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.0
56.66278	0.6
57.03453	16.6
59.01381	7.6
59.22907	0.6
67.40311	0.7
68.99809	0.6
71.01365	3.9
72.99295	1.6
75.00868	1.1
78.95872	0.9
83.01373	2.7
84.02156	1.6
85.02946	100.0
87.00856	0.9
89.02401	1.1
92.38029	0.6
96.95994	1.6
98.06450	0.7
101.02443	0.8
103.00359	1.3
111.00858	3.7
112.96262	0.7
115.00372	0.6
119.05019	2.6
129.01915	7.1
147.02994	10.1
153.91333	0.7
163.03967	3.6
191.01974	29.5
196.67636	0.8
209.03023	14.7
305.06927	1.2
328.54895	0.8
337.05780	1.0
355.06760	24.3
367.43167	0.7
419.96298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.7
57.03447	2.6
59.01387	100.0
66.31486	1.6
67.97747	1.6
71.01028	2.8
71.01385	37.6
72.99329	2.2
73.02952	10.3
75.00913	2.4
79.98138	1.9
83.01391	8.8
85.02948	18.4
87.00855	2.6
89.02462	3.1
95.01382	6.6
96.96000	2.6
97.02942	1.9
99.00876	7.6
101.02454	24.3
111.00877	2.1
112.01674	1.9
113.02463	24.0
124.01673	2.5
125.02435	8.9
143.03474	2.5
212.52721	1.8
245.33876	2.0
333.84891	1.8
415.26944	4.0
433.28110	12.9
504.04065	1.9
559.31165	23.5
577.32379	52.7
595.33502	19.5
619.33234	12.3
637.34296	32.4
679.35492	3.9
748.33423	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	767.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.9
56.76093	1.5
57.03457	7.2
59.01388	100.0
59.64760	1.5
60.12310	1.5
71.01384	16.6
73.02934	3.6
75.77463	1.6
85.02929	6.9
87.00900	2.6
89.02439	9.5
99.00870	16.2
101.02441	8.0
113.02455	7.1
117.11670	1.7
119.08670	2.6
131.03482	2.2
135.08121	1.8
137.09727	12.0
153.09181	2.4
161.09833	1.8
179.10825	4.0
181.08696	13.2
190.68590	1.8
197.11833	22.8
203.05676	1.9
223.09821	7.5
241.10844	10.5
309.46771	2.0
311.15582	1.8
345.99570	1.8
415.16205	2.8
520.26617	1.9
667.75623	1.9
709.27960	1.8
723.32574	2.9
723.43201	24.0
767.34955	57.7
768.34991	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	767.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39835	1.0
57.03450	3.0
59.01393	100.0
59.01691	3.3
59.15530	1.0
71.01392	16.4
72.95721	1.1
73.02931	6.4
81.76601	1.2
84.10649	1.1
85.02946	6.8
87.00871	6.1
89.02451	13.3
94.78126	1.2
96.95990	2.7
99.00885	18.7
101.02444	11.1
113.02476	11.1
119.03487	2.6
123.08099	1.6
131.03488	1.7
134.03737	2.4
149.04655	2.3
152.04857	1.3
152.08443	3.2
153.09163	10.1
161.04529	2.4
161.09750	9.3
161.13339	1.8
163.11301	3.1
165.64404	1.4
169.06165	1.3
187.11299	7.1
189.09268	1.4
191.05551	1.5
205.12326	17.0
207.10312	5.1
223.13437	25.3
247.74405	1.3
249.11240	2.4
267.12308	5.0
474.65851	1.5
517.22931	21.6
588.11639	1.7
767.35010	95.8
768.35815	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	768.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.9
59.01374	2.9
61.98839	5.3
73.12414	2.8
74.29964	3.0
78.95892	36.0
92.11671	9.4
102.42431	2.9
113.09733	22.9
122.00116	3.7
126.69666	3.2
140.01215	7.4
152.99516	4.5
171.10257	4.4
195.13989	29.3
195.68234	3.5
196.03693	3.9
275.20160	4.2
277.21619	25.4
279.23257	20.4
283.26413	3.3
293.21246	100.0
294.21658	4.7
295.22824	79.0
382.72870	3.3
457.14236	4.1
768.48358	94.9
769.47827	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	769.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03198	3.6
57.03458	59.6
57.47263	2.3
59.01387	48.6
61.13568	2.6
61.98828	6.5
71.01390	19.9
73.02952	4.0
73.20467	2.5
74.13995	2.9
74.56422	2.4
85.02938	11.9
89.02411	4.2
97.02940	14.8
99.00858	15.1
99.04501	3.9
101.02448	19.9
113.02444	16.6
125.02443	39.3
126.46890	2.7
133.10229	5.7
135.11778	24.2
137.20721	2.6
142.61539	2.4
145.06393	2.7
150.92343	2.9
159.08307	2.6
161.09721	3.9
179.03452	3.2
179.10808	100.0
180.10983	2.9
205.12038	2.8
210.52640	3.0
223.09738	13.7
224.76575	3.4
401.10898	13.1
419.12146	22.0
426.63727	2.8
443.12231	5.1
461.13263	10.3
516.41968	2.9
563.16022	4.5
581.23090	3.4
625.21454	42.2
667.22076	20.4
707.25250	4.0
769.25250	23.6
769.38013	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	769.293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07629	0.8
54.98684	0.9
55.01884	1.4
57.03203	1.3
57.03458	28.1
59.01386	100.0
59.39500	0.8
60.01714	0.9
71.01381	14.6
72.99292	1.0
73.02928	1.8
75.00856	0.8
78.95915	1.4
83.01378	2.2
85.02949	8.8
87.00878	1.7
87.87019	0.7
89.02444	2.1
94.67833	0.8
94.83497	1.0
95.01430	1.1
96.02235	0.8
96.95995	6.4
97.02931	1.0
97.06582	1.0
99.00863	3.9
99.04514	6.9
101.02438	11.3
104.65394	0.8
113.02459	7.3
119.08650	6.0
125.02395	1.9
133.10236	1.5
135.08124	3.9
135.11781	1.5
137.09708	18.8
143.03481	0.9
161.04535	5.2
161.09718	4.3
163.07617	2.0
179.10742	9.2
181.08728	24.7
197.11853	29.0
223.09761	5.6
241.10820	9.5
253.04962	0.9
269.10403	7.5
291.09845	1.1
317.87473	1.0
401.14563	5.4
443.15427	1.3
625.25098	35.4
667.26251	26.5
707.29364	6.8
769.29169	54.7
770.29089	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	770.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65215	0.6
55.98180	0.5
57.03451	0.6
59.01388	2.6
61.98832	0.8
75.62547	0.5
78.95432	0.9
78.95904	25.3
78.96372	0.9
92.66625	0.8
96.96978	1.2
97.06640	0.6
113.09760	2.6
122.00137	1.5
125.09731	3.8
126.10122	1.1
126.18365	0.6
140.01195	7.5
152.99651	3.6
171.10291	1.2
179.14464	2.6
181.12360	0.7
187.09869	2.8
188.10284	0.7
195.13936	32.5
196.03810	4.7
241.01163	0.8
277.21735	27.6
279.23239	4.6
280.23706	1.0
293.21341	1.0
295.22818	100.0
296.23230	2.6
349.58087	0.8
474.26367	0.9
492.27658	4.0
496.15695	0.7
503.47672	0.7
569.12128	0.8
621.72943	0.7
673.69940	0.6
770.50287	57.6
771.50824	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	770.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	16.2
85.56032	0.5
86.48936	0.6
92.11732	0.5
93.20602	0.6
96.96913	0.6
122.00057	0.8
134.04851	0.5
139.11252	2.6
140.01161	5.5
148.42429	0.5
152.99597	4.2
171.10291	4.3
185.11911	0.6
193.12308	0.5
196.03790	2.0
211.13350	1.2
279.23303	100.0
280.23688	7.2
281.24680	0.9
284.61240	0.5
293.21274	8.7
311.22324	12.8
312.66434	0.6
476.28082	0.6
507.50562	0.7
508.26746	2.3
682.42200	0.7
752.48090	0.8
770.49921	38.1
771.50427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.3
59.01109	2.5
59.01397	63.9
64.32790	1.5
67.05531	2.4
69.72012	1.3
71.01385	10.0
72.99302	2.6
73.02946	2.4
77.69386	1.3
78.56489	1.3
83.01411	3.5
85.02940	12.5
89.02446	1.9
93.03430	3.3
99.00873	5.6
99.04536	2.3
101.02420	3.4
108.02189	19.8
109.02976	2.6
113.02459	9.2
121.02938	3.5
122.03736	36.2
123.04518	26.5
124.05292	2.3
133.10262	1.6
135.08130	1.4
135.11806	24.3
137.02423	5.4
149.02440	6.2
150.56316	1.6
152.01157	44.8
160.63557	1.5
161.04578	6.4
161.09717	1.9
165.05606	2.1
167.03496	76.1
177.05585	2.7
179.10791	100.0
181.08846	1.9
193.50954	1.6
223.06825	1.4
223.09767	11.2
269.04593	9.2
342.32053	1.5
351.43500	1.5
399.12689	11.2
417.13962	9.9
443.12064	30.2
461.13184	17.2
623.23566	31.4
664.43341	1.9
667.22729	32.3
685.23444	2.9
727.24689	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
59.01392	18.2
69.49058	0.2
71.01392	3.8
73.02959	2.8
73.05473	0.2
76.57740	0.2
80.02695	0.4
81.11375	0.2
82.11156	0.2
83.01402	0.9
85.02932	1.7
89.02466	1.0
95.01421	0.3
96.96035	0.3
99.00892	0.5
99.04527	0.2
101.02436	4.1
108.02172	38.2
109.02544	0.4
109.06523	0.2
113.02449	1.8
118.56435	0.2
119.03478	0.2
123.04518	16.5
125.02401	0.4
135.54892	0.2
148.00409	0.2
152.01155	87.3
153.01503	1.2
161.04529	0.5
167.03496	100.0
168.03860	1.3
212.45132	0.2
243.17551	0.3
263.14975	2.4
305.17487	0.4
330.49200	0.2
331.15286	0.4
349.16519	3.9
353.29007	0.2
355.17334	0.3
373.18481	1.2
415.19846	9.9
457.20761	2.4
481.20706	0.9
502.00381	0.2
559.23901	1.3
727.28583	3.0
728.28278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.8
57.29861	2.7
57.43454	2.8
58.04164	3.2
59.01385	86.8
71.01385	37.3
78.95908	4.1
85.02942	13.0
89.02441	47.2
101.02464	23.3
113.02453	16.9
119.03477	14.2
225.22314	19.5
271.22760	5.1
279.23343	6.0
532.47089	26.6
550.48212	4.4
553.50555	3.7
712.53766	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	775.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
57.03465	0.6
58.00608	0.8
59.01385	72.7
61.76890	0.3
68.01425	0.8
69.03449	1.8
71.01382	39.0
72.99312	2.1
73.02943	64.9
74.41479	0.3
74.75127	0.3
75.00883	0.4
81.03472	0.4
83.01385	16.5
85.02950	6.3
87.00868	0.6
89.02435	13.3
95.01377	1.8
96.00903	10.6
96.01483	0.6
97.02906	0.6
99.00874	0.8
101.02434	47.7
110.02495	0.7
113.01704	0.5
113.02440	11.2
119.03494	4.5
125.02443	2.1
128.03543	2.1
131.03482	2.7
138.51323	0.3
142.06639	0.5
143.03543	2.3
149.04553	2.2
155.03514	0.7
157.07730	0.6
161.04541	5.7
169.07716	5.1
193.12341	7.7
202.05717	0.3
211.13434	0.8
239.08258	1.8
271.10919	0.5
341.15060	0.4
355.17682	0.6
373.18680	6.2
415.19791	100.0
416.20145	4.6
429.44843	0.4
456.07159	0.4
744.77368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.3
58.00607	0.5
59.01385	69.0
62.73949	0.2
63.63361	0.3
67.19266	0.3
71.01379	13.0
71.67976	0.3
72.99304	0.5
73.02930	0.6
73.60632	0.3
78.73030	0.3
83.01405	0.6
85.02929	3.0
89.02435	13.6
95.01390	1.3
96.53865	0.3
99.00932	0.4
101.02440	9.6
101.03082	0.6
106.97219	0.3
113.02451	5.5
119.03490	6.3
120.26129	0.3
149.88884	0.3
163.11272	6.0
207.10280	13.6
208.10649	0.6
212.73360	0.3
369.15427	0.4
387.16635	100.0
388.17053	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	775.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
57.03454	0.9
58.00618	0.2
59.01386	50.2
71.01379	8.2
72.99308	0.3
73.02936	2.3
83.01374	1.8
85.02940	4.2
87.00887	0.4
89.02439	4.9
95.01391	0.8
97.32626	0.2
99.00848	0.8
99.98928	0.2
101.02435	9.5
113.02431	4.2
116.10238	0.2
119.03494	1.7
125.02406	0.3
149.09760	0.3
159.02939	0.3
161.04625	0.8
184.06799	0.2
209.11931	1.9
227.12947	0.4
334.33521	0.2
371.17038	0.4
387.16547	0.4
388.17065	0.5
389.18222	100.0
390.18674	2.3
418.93668	0.2
541.21576	0.2
617.97009	0.2
657.29449	0.3
698.27246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.1
57.03454	20.9
58.66888	1.4
59.01385	3.3
70.03587	1.6
70.86699	1.4
71.01363	7.9
72.99285	2.4
75.00869	38.4
78.95896	3.0
83.01337	1.6
85.02457	2.8
85.02942	42.3
87.00856	6.5
99.00875	32.9
113.02451	33.2
116.01123	3.2
140.88219	1.5
141.01939	21.8
171.10254	3.3
190.53304	1.8
211.13400	2.0
329.23630	11.2
372.07080	1.7
471.19998	1.9
578.09021	1.8
633.40369	12.1
661.39868	21.8
775.42780	100.0
776.43219	5.5
778.49933	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	777.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06922	0.7
57.03463	0.8
58.82362	0.7
59.48950	0.6
59.77627	0.6
66.57674	0.6
73.00077	0.6
78.95899	32.9
85.06531	0.7
92.11765	2.6
96.96918	1.8
97.06577	1.1
99.08142	1.3
113.09733	3.0
125.09741	0.9
127.11261	2.9
129.09233	1.2
139.11305	7.1
152.99599	24.3
155.10803	1.1
169.12379	1.2
171.00652	6.8
171.10281	29.7
181.12436	1.7
183.10274	1.1
183.13911	1.3
184.18185	0.8
185.11839	4.7
193.12343	1.4
197.11842	4.7
199.13449	3.0
201.11369	1.1
211.13370	8.4
227.03259	1.1
236.41440	0.8
255.23326	75.8
256.23682	1.7
275.20370	1.0
293.21210	17.5
311.22311	40.1
483.27341	3.3
521.25604	1.0
595.32947	0.8
777.49365	100.0
778.49951	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	777.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	35.3
80.62552	1.4
84.65771	1.1
92.66566	1.2
96.96899	1.5
99.08139	1.3
113.09766	1.5
116.92825	1.3
139.11292	5.6
149.00275	1.3
152.99605	25.6
155.10757	1.6
171.00677	4.3
171.10286	20.3
172.10657	1.4
185.11803	1.9
197.11871	7.4
211.13417	9.1
234.51956	1.2
241.35530	1.4
255.23328	68.4
256.23724	1.8
257.39511	1.5
279.23413	2.2
281.24847	1.5
293.21216	15.0
311.22293	40.8
429.32300	1.5
777.49414	100.0
778.49500	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	779.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01148	0.3
59.01389	5.6
68.69705	0.3
71.01380	3.9
72.99289	0.4
73.02940	0.9
85.02944	2.7
89.02422	2.4
89.03967	2.1
95.92788	0.4
96.96001	1.6
98.95578	0.8
99.00890	3.2
101.02448	1.6
103.89301	0.4
113.02457	2.3
117.03452	5.6
125.02425	0.7
132.02142	1.9
134.03740	100.0
135.04085	1.7
137.02428	1.4
143.03535	0.6
145.69438	0.4
149.04532	0.4
149.04936	0.6
149.06094	7.3
152.08430	0.4
153.09192	0.5
155.08243	0.4
160.01671	8.6
175.04018	9.8
178.02744	4.9
189.09166	0.4
193.05069	73.0
194.05487	1.5
205.12347	4.6
269.04761	0.4
428.12021	0.4
430.59039	0.4
499.21683	0.5
541.23004	1.6
559.23767	1.5
575.42987	0.5
617.77356	0.4
735.28632	5.1
779.41589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
57.03461	68.6
59.01391	59.6
68.48846	0.4
71.01392	18.5
72.99302	0.4
73.02953	7.8
75.00849	0.7
78.95925	0.9
81.03451	2.2
83.01408	4.2
85.02961	11.0
85.04092	0.6
87.00894	0.5
88.04047	0.7
89.02448	5.4
93.03471	0.5
95.01359	0.8
96.96001	2.6
99.00869	3.3
99.04522	47.5
101.01768	1.0
101.02441	29.6
106.04233	3.0
107.05035	1.7
111.11793	0.5
113.02444	11.7
119.03499	1.9
119.05022	5.8
125.02440	22.7
128.03537	0.5
129.01912	0.6
132.03044	1.0
137.06084	100.0
138.03159	0.5
138.06432	0.8
143.03505	3.9
159.03015	2.7
161.04552	16.8
179.05612	0.7
233.10347	2.1
235.65495	0.4
251.11375	40.2
272.13217	0.4
279.97507	0.4
293.12448	21.0
333.15579	4.7
341.12375	1.7
351.16742	2.0
380.47922	0.5
395.15604	70.6
396.15836	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	781.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.2
59.01387	5.0
61.10002	0.2
64.34602	0.2
70.59668	0.2
71.01379	2.1
73.02944	1.0
75.00852	0.4
75.78915	0.2
79.95753	0.2
83.01400	0.3
85.02956	1.2
87.00876	0.3
89.02427	1.3
89.03974	2.2
95.01360	0.3
99.00884	1.2
101.02441	1.3
101.73975	0.2
113.02435	1.5
115.33680	0.2
117.03452	7.9
119.03500	0.2
123.08176	1.0
125.02413	0.3
132.02188	2.4
134.03735	100.0
135.04070	1.1
137.02460	0.4
137.09712	0.2
149.06081	8.2
160.01653	9.4
161.02007	0.2
163.11343	0.8
165.05550	0.3
175.04005	9.0
178.02724	1.9
189.12868	1.1
193.05064	85.2
194.05385	1.6
207.13924	1.0
224.04619	0.2
239.03606	0.3
267.03085	0.3
268.03806	6.1
269.04440	4.1
270.04810	0.9
473.10971	3.6
474.11102	1.5
475.11819	0.3
501.23444	1.5
543.24500	0.9
561.25397	0.3
632.47662	0.2
737.30414	7.3
738.29980	0.4
743.34802	0.4
787.73840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
58.00589	1.0
59.01102	1.8
59.01385	32.7
59.85559	1.0
60.62727	0.9
63.12453	0.9
68.99806	1.4
71.01383	23.9
72.99299	1.2
73.02922	1.2
75.00876	15.0
77.25828	1.0
85.02948	19.0
87.00885	1.7
89.02438	16.4
95.01350	2.4
98.47295	1.2
98.50790	1.0
98.78020	1.0
99.00860	17.3
101.02435	5.3
113.02452	12.7
131.03432	2.4
157.01451	4.1
240.19312	1.0
278.17361	1.2
281.13870	1.1
314.30893	1.1
351.37988	1.0
495.07718	1.1
510.97702	1.2
555.67230	1.1
781.43884	100.0
782.44385	11.9
790.44769	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.3
57.03447	3.8
58.00595	2.1
59.01385	100.0
69.03454	1.7
71.01380	64.1
72.41600	0.4
72.99299	3.1
73.02943	28.9
75.00883	0.8
79.90919	0.4
81.03447	0.6
83.01389	12.9
84.86404	0.4
85.02951	16.1
87.00874	9.5
89.02438	68.0
90.92821	0.4
93.03407	0.6
95.01359	4.2
96.96011	0.6
97.02956	2.1
99.00859	3.0
99.04522	0.8
101.02433	55.2
109.02975	0.5
113.02442	37.1
119.03487	25.2
119.04347	0.8
121.02973	0.5
125.02477	2.2
127.04028	0.5
129.01947	1.5
131.03522	4.3
137.02527	0.6
139.00484	0.5
140.71935	0.4
141.02017	0.7
143.03522	4.9
149.04605	2.7
155.03600	0.4
161.04565	8.2
179.05615	11.5
182.10207	0.4
188.80646	0.4
193.12367	6.0
211.13484	0.9
212.95090	0.4
253.05093	1.0
260.57379	0.4
268.03668	0.5
294.09476	0.4
312.30283	0.4
323.09866	7.5
341.10919	38.5
342.92667	0.4
355.17584	6.2
373.18704	38.5
374.19153	0.8
383.12054	4.4
387.20294	0.6
415.19797	32.7
416.20209	0.6
457.20908	6.5
517.23352	1.7
539.17792	0.6
679.28198	23.3
680.29413	1.8
697.29272	29.0
698.30347	0.8
739.30371	15.8
740.31226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.1504
Annotation	FAD
Peak:m/z	Relative Intensity
57.03457	0.5
59.01386	1.4
59.57691	0.2
62.96410	0.2
71.01395	0.4
78.95897	100.0
79.29433	0.3
85.02876	0.3
89.02414	0.3
93.59828	0.2
96.96949	67.4
97.90147	0.2
99.04517	0.5
101.02441	0.3
101.33886	0.3
101.69217	0.3
113.03754	0.2
134.03712	0.3
134.04718	8.1
134.98616	0.3
138.98018	1.0
150.98016	1.5
158.91238	0.4
158.92523	10.4
162.98035	4.7
174.97989	0.6
176.93596	1.0
180.99078	8.9
184.08929	0.4
192.99025	0.5
195.00632	2.4
198.06747	0.5
207.17580	0.3
211.00023	0.6
212.08276	2.1
241.07359	4.7
243.08876	0.3
255.08861	4.1
272.95895	2.5
278.30615	0.3
328.04324	0.3
346.05573	18.2
387.16818	0.3
395.15698	1.3
408.01041	2.0
437.08710	25.1
438.08792	0.6
517.04895	0.5
784.15015	11.0
785.15125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34201	1.0
57.53218	0.9
59.01371	5.1
71.01337	1.8
73.04069	13.4
74.02469	8.9
83.02486	4.9
84.00909	1.2
85.02934	1.3
85.04071	17.6
87.05629	7.3
93.03429	6.2
94.52009	1.0
95.02486	1.8
96.95999	1.3
97.04115	1.5
98.01246	1.9
98.02451	1.4
99.02000	38.4
99.05634	1.3
101.02444	1.9
110.01218	1.9
110.02437	1.3
111.01987	2.0
112.05138	5.5
113.02409	1.5
113.03569	9.7
115.08770	17.9
116.05055	21.3
119.05022	57.9
125.03566	1.2
125.07184	5.1
126.05526	1.1
128.04637	6.7
130.06218	13.0
131.04611	8.0
133.05362	1.9
134.06104	6.7
137.07185	5.9
139.05092	1.3
139.08737	5.7
141.06706	37.2
142.06642	2.5
144.07796	8.5
148.07683	1.7
149.07259	1.6
153.06717	5.4
155.08307	10.6
157.09854	1.5
158.06223	1.7
159.09280	5.8
166.09830	5.0
172.10951	7.7
184.10901	23.6
186.05623	1.7
186.12473	5.9
191.08310	6.5
193.06229	1.4
198.08884	1.6
202.05098	10.5
203.08250	17.0
209.10443	2.1
210.08789	1.4
211.11974	13.5
212.10497	1.2
216.11394	8.7
217.06195	2.4
219.07770	4.0
227.11539	15.7
229.13051	5.5
233.09309	2.6
234.08928	1.4
236.10587	1.3
241.09917	1.7
242.09274	2.1
243.14653	7.7
250.63896	1.1
260.10406	8.0
269.04553	7.9
272.14169	1.8
273.13602	8.1
290.15051	6.5
299.11197	1.4
315.18369	2.2
316.13113	2.4
319.12915	1.6
333.15753	6.3
349.18903	1.5
372.20456	16.7
379.17957	2.1
381.19138	2.7
393.17734	5.1
522.23602	6.9
536.21667	2.4
663.27502	1.5
688.60120	1.2
695.28284	1.2
740.30670	100.0
741.31000	7.3
766.33319	1.3
784.33234	77.0
785.33502	6.7
803.36047	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	785.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.3
60.01719	0.2
61.82463	0.2
62.20341	0.2
62.48909	0.2
65.74126	0.2
75.87546	0.2
77.53074	0.2
78.95916	0.2
79.01958	0.2
120.02165	0.8
121.02953	100.0
122.03304	0.9
136.01645	0.2
143.24411	0.2
165.01970	1.7
180.05838	0.4
181.06570	2.8
191.03508	1.3
197.06174	0.3
209.04582	39.5
210.04967	0.5
225.05559	2.4
313.07196	4.2
314.07614	0.2
357.06271	1.4
401.08789	8.4
420.22556	0.2
460.57452	0.2
465.55634	0.2
549.09808	0.3
785.17255	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	785.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
56.08876	0.7
57.03456	1.7
59.01148	1.0
59.01398	17.5
67.53790	0.7
71.01391	8.3
72.99319	0.9
73.02951	4.0
75.65180	0.8
83.01406	0.8
85.02951	4.1
89.02432	3.9
95.01364	0.8
97.16557	0.8
99.00875	3.8
101.02453	3.6
111.04552	1.0
113.02444	5.5
118.92407	0.7
123.08136	1.0
127.43050	0.8
135.08195	2.0
141.10754	0.9
143.03499	0.9
153.09218	100.0
163.11293	2.1
174.30222	0.8
189.12914	1.4
197.08214	23.4
207.13936	5.4
224.05324	0.8
238.96779	0.9
243.13678	1.1
253.05167	1.3
269.04590	1.1
501.23355	8.4
519.24365	1.1
543.24670	5.4
549.15942	0.8
561.25623	14.2
630.58362	1.1
741.33557	73.4
742.33917	5.0
785.36682	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
57.03456	7.0
57.08828	1.4
57.20712	1.3
59.01393	100.0
67.05529	2.7
71.01393	15.2
73.02934	3.2
73.83252	1.4
75.00863	2.0
76.01488	1.4
83.01369	2.7
83.05035	3.2
85.02934	13.9
87.00853	2.0
89.02438	7.8
95.00072	1.8
99.00869	7.7
101.02448	11.0
103.03992	1.7
113.02435	10.3
118.25992	1.7
119.03516	1.6
119.08633	2.5
123.08149	3.1
124.13726	1.6
125.02448	2.2
135.11792	6.5
137.09735	13.5
137.10600	1.7
143.03554	1.9
161.04570	6.5
161.09729	3.3
163.11229	2.4
179.10767	49.1
181.08727	17.9
189.12907	1.9
197.11804	19.6
198.12274	1.7
207.14008	2.5
223.09795	6.5
241.10818	14.1
253.05055	1.6
261.05267	1.6
309.20499	2.0
327.21680	5.5
494.17133	1.6
501.23447	19.4
501.73828	6.2
505.33029	1.6
511.57761	2.0
519.24823	6.4
561.25720	3.4
624.30402	2.6
681.34961	3.3
725.34857	7.1
785.36212	92.1
786.36023	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	785.361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.8
57.03455	8.9
59.01385	92.1
64.35186	0.7
67.05518	1.2
67.48280	0.6
71.01374	8.2
71.05003	0.8
72.51768	0.6
72.99339	0.6
73.02942	4.3
78.95892	1.1
83.01387	1.0
83.05023	1.3
85.02959	4.5
87.00857	1.6
89.02441	3.2
96.96038	0.7
97.03040	0.8
99.00850	3.1
99.04503	4.5
101.02432	3.9
107.08662	0.8
113.02425	5.5
119.03554	1.0
119.08652	4.7
120.05756	0.8
120.12027	0.8
123.08158	3.3
125.02445	1.1
125.94268	0.7
133.10245	0.8
135.08179	3.7
135.11763	1.0
137.09727	16.2
152.01108	1.5
153.09215	44.3
154.09555	1.3
161.04582	3.2
161.09755	3.9
163.07634	3.4
163.11305	4.0
179.05521	1.0
179.10789	6.8
181.08708	19.2
189.12849	4.2
197.08183	7.5
197.11826	24.9
207.05046	0.8
207.13889	8.1
223.09755	4.7
241.10818	12.6
253.05061	8.1
254.05501	1.0
275.26749	0.7
278.32935	0.7
278.64160	0.7
501.23529	3.2
519.24689	3.3
543.24243	1.6
561.25354	12.4
741.33490	29.6
742.33990	3.6
767.35541	1.0
785.36084	100.0
786.36102	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	785.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43254	0.8
59.01406	0.9
71.46758	0.9
73.44611	0.8
78.95901	31.2
80.88641	1.1
84.54552	0.9
92.12376	2.1
96.96966	1.4
99.92554	4.2
116.92859	15.6
117.92849	8.4
118.92667	4.9
133.25439	1.0
145.49597	1.0
152.99588	26.9
171.00684	4.7
171.10243	4.0
195.13876	13.1
227.03322	1.2
235.05161	1.0
264.64456	1.0
277.21716	18.2
279.23303	100.0
280.23712	4.8
281.24811	1.2
295.22791	47.5
412.28052	1.1
431.22012	1.6
505.25876	2.1
785.49957	94.6
786.50220	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	785.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.8
59.01390	1.3
59.13625	0.8
60.34549	0.9
60.62962	0.9
66.96110	0.9
78.95900	30.9
96.96980	1.3
99.92603	1.1
116.92863	1.7
152.99597	24.5
171.00703	3.7
171.10269	8.9
188.12617	1.1
195.13924	13.3
209.02301	1.3
255.23442	1.5
277.21692	22.6
279.23297	98.2
280.23627	2.0
295.22800	47.2
430.60895	1.1
431.22031	1.9
450.79956	1.2
552.19922	1.1
785.49969	100.0
786.50525	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	787.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
57.03459	32.1
58.19083	0.3
59.01390	100.0
60.01739	0.6
61.46336	0.4
67.05534	1.9
67.78548	0.4
69.03460	1.8
70.80509	0.4
71.01379	7.1
71.05037	0.5
72.99308	0.4
73.02948	4.3
77.81026	0.4
79.05551	0.5
81.03448	0.6
83.01382	0.9
83.05032	1.9
85.02947	4.6
87.00890	3.3
89.02446	2.7
90.07738	0.4
95.01395	0.5
95.04974	0.4
97.02957	4.6
97.06606	0.8
99.00881	7.9
99.04523	7.9
101.02453	9.9
107.08669	0.4
109.02953	0.4
113.02435	5.0
119.08669	6.7
120.05813	0.5
121.06632	1.6
125.02445	22.1
131.03505	0.8
133.10246	2.3
135.08197	4.8
135.11806	2.6
137.09731	23.2
141.92165	0.4
143.03548	0.5
153.09195	0.5
153.12907	0.5
161.04527	3.4
161.09737	6.1
163.07660	3.7
175.09933	0.4
178.72337	0.4
178.82974	0.4
179.10783	9.8
179.12225	0.4
180.11206	0.4
181.08717	24.0
181.10309	0.9
182.09012	0.4
191.05635	0.7
197.11859	32.9
203.05698	0.5
205.08762	0.5
213.67775	0.4
223.09773	7.4
241.10844	13.4
269.04648	0.9
293.08914	0.6
307.17734	1.5
349.18701	1.0
401.10892	0.5
419.12091	5.8
461.13013	2.6
501.16028	0.4
517.19537	1.8
553.43488	0.5
559.20068	0.8
563.15833	0.6
625.21655	0.9
633.76294	0.5
643.22607	57.7
644.23132	3.8
661.23438	0.7
663.12885	0.5
684.05316	0.5
685.23602	39.4
686.24084	1.9
725.26837	11.2
726.27588	0.6
727.25165	0.5
787.26794	47.7
788.26624	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	788.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
59.84910	0.4
61.98824	0.6
72.05332	0.4
78.95901	18.4
79.45473	0.4
99.08141	1.2
114.93410	0.9
122.00100	1.1
127.11291	1.9
138.67384	0.5
139.11299	2.5
140.01186	7.6
143.86339	0.5
152.99608	1.2
171.10240	9.4
171.45612	0.5
173.09312	0.5
179.69456	0.5
183.13930	0.9
196.03865	3.2
209.12041	0.6
211.13420	7.0
229.14465	2.2
257.39673	0.5
261.22028	0.5
279.23306	100.0
280.23770	3.6
281.25043	0.5
329.23349	10.5
363.03537	0.5
395.08420	0.6
526.27448	1.7
633.61841	0.6
788.50916	60.6
789.51245	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	789.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03448	2.0
59.01386	100.0
59.15007	0.8
60.01721	0.8
63.68510	1.0
68.70245	0.9
71.01382	25.8
73.02946	34.0
83.01378	13.6
85.02935	6.4
85.82344	0.8
87.00877	1.5
89.02429	10.9
92.12356	2.0
95.01363	1.1
97.02942	1.0
99.00863	2.0
101.02439	31.1
113.02437	8.7
119.03500	4.9
123.04506	1.3
125.02414	2.0
131.03461	1.7
137.09732	1.4
143.03520	1.2
161.04504	4.8
181.12358	52.2
181.13953	1.9
182.12711	1.2
189.16325	0.9
193.12320	5.4
197.11861	4.4
223.94565	1.1
225.11327	7.5
241.10773	4.8
243.12440	1.2
285.13531	23.4
315.19470	1.1
327.64011	1.1
343.30685	0.9
373.18796	1.4
415.14267	1.9
415.19781	58.5
416.19952	2.3
582.79822	1.1
645.23688	1.3
789.31024	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	790.561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
57.36697	0.3
58.19036	0.3
58.53201	0.3
59.01380	1.8
66.15272	0.4
68.19923	0.4
68.42181	0.4
71.82877	0.4
78.95905	5.2
99.08105	0.5
125.09698	0.6
148.25406	0.5
152.99571	1.9
153.23315	0.5
155.10541	0.5
164.17558	0.4
168.04277	1.6
171.10266	33.1
183.10204	0.6
195.13918	0.8
206.08968	0.4
224.06947	0.8
242.07925	2.2
244.25432	0.4
255.23308	95.1
256.23718	2.5
277.21744	43.7
278.22116	2.0
279.23215	0.5
295.22797	100.0
296.23050	3.0
480.31009	36.7
481.31424	1.8
508.15988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	2.4
59.01374	0.1
63.32355	0.1
70.02990	1.3
72.00903	0.6
72.04549	0.5
72.64677	0.1
74.02473	9.8
74.18890	0.1
91.01879	0.4
98.02476	2.6
102.20441	0.1
116.03558	2.8
116.05068	4.5
130.06619	0.4
133.02983	0.4
135.00839	0.5
142.06609	0.9
153.01926	0.1
159.09294	1.1
186.05630	0.2
195.04556	0.1
196.05270	0.2
197.06087	0.7
201.10341	0.8
203.08287	10.4
204.08669	0.2
208.05359	0.7
209.06140	1.0
223.04027	0.5
224.04848	1.4
225.05618	0.9
232.54922	0.1
245.09335	15.8
246.09657	0.6
250.01167	0.1
252.04335	1.7
253.05095	100.0
254.05437	4.0
397.09378	0.7
448.31277	0.1
742.22931	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
57.03459	100.0
58.03787	0.9
59.01388	84.2
65.91256	0.3
71.01384	25.5
72.99284	0.4
73.02944	9.2
75.00911	0.6
77.35819	0.4
79.69793	0.5
81.03482	1.9
83.01389	4.8
85.02950	13.8
87.00861	1.0
89.02434	7.0
95.01405	2.1
96.96021	0.4
97.02975	0.5
99.00876	5.1
99.04515	63.6
101.02440	46.7
113.02454	14.4
119.03519	2.5
122.85049	0.4
125.02443	35.9
143.03491	5.3
159.03032	2.3
161.04568	20.9
161.05872	0.9
233.10310	1.8
239.12340	0.5
247.58478	0.5
251.11378	53.0
252.11795	1.0
293.12466	27.7
333.15491	4.8
351.16739	2.7
395.15625	100.0
396.16000	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	791.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	2.0
57.03465	100.0
58.03794	0.4
59.01394	76.7
64.12770	0.3
69.03442	0.4
71.01392	27.6
72.99319	0.6
73.02953	8.2
75.00898	0.7
81.03471	2.2
83.01390	6.2
85.02955	14.6
87.00911	0.6
87.85680	0.4
88.12541	0.3
89.02442	6.8
95.01397	1.7
96.96025	0.5
97.02943	0.8
99.00893	4.7
99.04518	60.9
100.04900	0.5
101.02441	44.8
112.79137	0.4
113.02450	14.7
116.43070	0.4
119.03519	2.0
121.04048	0.4
125.02436	32.8
129.01923	0.6
131.03447	0.4
131.07077	0.6
135.18001	0.4
137.06081	2.6
143.03488	5.9
157.06207	0.4
159.03024	2.9
161.03249	0.9
161.04561	22.4
197.04515	0.4
202.71228	0.4
205.03592	0.5
233.10236	2.1
251.11365	50.3
252.11754	0.9
293.12445	25.9
333.15555	5.4
351.16751	3.6
395.15610	92.0
396.16028	2.6
664.00378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
57.03438	2.4
57.37812	0.5
58.52919	0.5
59.01386	32.8
68.99806	1.0
71.01385	26.8
72.99290	2.3
73.02924	1.0
75.00466	0.8
75.00867	16.7
78.95888	1.4
80.61777	0.5
81.82763	0.5
83.01366	2.9
85.02467	0.9
85.02949	17.5
86.00086	0.6
86.06361	0.5
87.00864	3.6
89.02444	16.9
95.01373	4.2
99.00874	18.0
101.02429	4.1
111.00872	0.7
112.01663	1.0
113.02447	12.2
114.25076	0.5
116.92851	1.2
131.03485	1.0
142.54245	0.6
152.99634	0.8
157.01414	2.7
179.39383	0.5
244.06906	0.7
255.23343	0.8
259.92728	0.6
279.22955	0.7
352.34164	0.7
353.21243	0.7
463.35678	0.8
681.95245	0.7
791.45917	100.0
792.46436	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	792.5766
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80718	0.3
66.27061	0.3
69.22942	0.3
72.84233	0.3
74.22165	0.3
74.78797	0.3
78.95471	0.4
78.95901	6.8
79.24360	0.3
83.05021	0.3
83.42802	0.3
90.68736	0.3
97.89715	0.3
113.09685	0.5
115.04044	0.4
152.99602	1.8
168.04332	0.6
169.12355	0.5
183.13902	30.2
197.15475	0.7
203.35661	0.3
224.06972	2.9
238.87044	0.3
242.08029	0.5
255.23309	35.9
256.23648	1.9
278.22098	0.5
279.23294	6.4
292.66504	0.3
295.22763	3.6
296.23114	2.2
297.24377	100.0
298.24786	4.2
441.43567	0.4
450.40216	0.4
480.31036	23.7
481.31354	1.5
733.50574	0.4
739.60883	0.4
813.70618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.0
56.76818	1.7
59.01383	44.0
60.40949	2.3
60.70004	1.8
64.31799	2.0
70.22649	2.0
71.01369	21.1
72.99310	2.2
73.02914	2.1
75.05198	1.8
84.08878	1.7
85.02933	5.0
89.02428	10.7
97.02907	1.8
99.00853	2.1
101.02421	7.8
113.02475	6.9
120.08182	44.5
121.05286	3.3
122.06109	84.8
129.86607	2.1
134.06110	4.0
136.07741	2.7
144.04535	3.6
151.70067	2.7
157.94148	2.0
164.37364	2.0
174.05550	3.5
203.05917	13.4
223.08786	3.3
236.09502	12.1
237.10341	7.6
241.13412	3.1
248.09566	2.8
249.10368	4.4
249.13866	3.5
250.10971	3.5
251.11893	41.2
252.12625	2.8
262.07486	3.9
263.08395	8.2
263.11920	10.5
264.09015	10.6
265.09866	3.4
265.13467	19.7
276.08954	9.9
277.09821	59.8
278.10638	26.4
279.11392	3.7
283.10800	4.5
291.11429	57.8
292.12164	40.8
293.12997	64.0
294.13834	4.2
295.11008	3.2
319.10895	8.0
324.11078	8.8
325.11862	4.4
335.10315	21.9
336.11218	28.5
337.12039	24.7
342.16324	2.2
344.13974	4.0
357.14590	2.9
358.15530	11.8
372.17322	20.4
373.17874	8.6
374.18774	11.5
384.13434	2.9
385.14029	2.8
386.14719	14.6
386.19440	2.3
400.16632	17.4
400.21155	2.1
412.16418	2.8
414.18396	40.2
415.19122	14.4
418.17661	17.3
423.94418	2.3
441.16995	11.6
444.15579	3.9
458.17462	16.0
459.18021	52.8
460.18570	3.2
478.19769	3.2
490.19839	30.3
495.24124	4.4
507.81485	2.4
537.25122	13.2
563.22601	3.4
581.24109	52.1
613.26776	89.1
613.36902	3.3
614.26630	8.6
638.23694	4.5
639.24121	14.1
670.26154	11.0
761.30554	100.0
762.30853	9.4
793.33044	69.2
794.33142	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	793.4382
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03458	2.0
58.00602	1.2
59.01384	32.9
60.99315	0.2
61.13444	0.1
63.85314	0.1
67.01888	0.2
68.99802	1.4
69.03442	0.2
70.20793	0.1
71.01379	25.1
72.99305	2.3
73.02952	2.5
75.00867	15.1
82.36828	0.2
83.01382	3.1
83.41151	0.1
84.02145	0.1
85.02945	17.2
86.00112	0.6
86.43574	0.1
87.00866	4.0
89.02438	15.6
95.01373	6.1
97.02930	0.3
97.70280	0.2
98.98152	0.1
99.00872	16.7
101.02433	17.1
103.65407	0.1
111.00928	0.3
112.01678	1.3
113.02440	14.6
115.00363	0.7
119.03487	3.6
125.02444	0.2
129.01929	0.8
131.03505	0.9
139.00346	1.5
157.01407	2.7
157.02492	0.2
161.04546	1.7
279.07376	0.2
298.26379	0.2
337.25220	0.2
391.30084	3.7
407.33243	3.8
435.32568	0.7
455.35193	1.0
613.38055	0.4
793.43866	100.0
794.44226	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	795.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.9
59.01106	1.6
59.01389	32.0
62.93327	1.0
71.01387	24.8
71.10281	1.0
72.99317	2.7
73.02958	1.6
75.00871	15.2
83.01400	5.2
85.02948	18.0
87.00865	5.2
89.02454	15.9
91.77102	1.0
95.01405	2.6
99.00877	13.0
101.02428	17.3
107.42587	1.1
113.02457	15.8
117.55830	1.4
119.03519	2.1
133.96266	1.2
157.01404	1.9
197.55005	1.3
283.23431	1.3
294.43951	1.2
329.63757	1.1
331.17993	1.3
463.18201	1.3
611.34857	1.4
694.58807	1.3
795.45435	100.0
796.45874	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	795.454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89236	0.2
57.03469	2.1
58.00604	0.4
59.01384	28.0
66.87952	0.3
68.99812	0.6
71.01378	20.2
72.99291	1.8
73.02947	2.3
75.00867	12.5
81.77221	0.3
83.01389	2.9
85.02947	15.9
85.03473	0.5
87.00867	3.2
89.02435	13.6
90.83472	0.2
92.12399	1.2
95.01371	4.1
96.70145	0.3
99.00226	0.6
99.00863	13.8
101.01767	0.4
101.02435	13.7
104.36965	0.3
111.00859	0.4
112.01662	0.7
113.02444	13.7
115.00343	1.1
119.03484	3.8
129.01898	0.5
131.03510	0.3
139.00352	1.6
143.03500	0.6
147.56676	0.3
157.01424	1.8
161.04515	1.3
257.81171	0.3
342.25952	0.3
437.34375	0.4
457.37122	0.5
458.13846	0.3
769.47931	0.4
795.45422	100.0
796.45862	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	799.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
57.92508	0.3
59.01374	1.6
65.03950	0.4
67.01894	0.6
68.87886	0.3
71.01381	0.8
71.24903	0.4
73.68054	0.3
78.95889	0.4
79.05524	3.4
83.01400	0.6
85.02940	0.5
88.10004	0.3
91.05504	0.5
92.11661	0.4
93.03455	3.4
95.01369	3.5
96.96030	0.4
105.03429	2.7
107.05020	4.1
107.24304	0.4
108.02148	0.8
109.02942	11.0
119.05014	2.6
121.02939	8.2
122.03734	6.1
123.00866	0.5
123.04509	56.9
124.04838	0.6
125.02410	0.4
133.02937	6.7
135.00931	0.7
135.04510	16.7
136.01651	1.8
137.02451	6.3
138.03181	0.6
145.02922	0.9
147.04556	1.5
148.01672	1.5
148.05226	0.5
149.02432	15.1
149.06001	0.7
150.03218	14.5
151.04008	27.1
152.04364	0.6
157.06638	0.5
161.02431	2.1
162.03227	0.5
163.04008	29.7
164.04698	1.6
165.05583	1.4
167.03505	4.7
171.83098	0.5
175.03983	0.8
177.01949	4.8
178.02684	6.8
178.04088	0.4
179.03522	2.7
180.01344	0.4
181.05069	7.1
182.02219	4.3
189.01955	1.8
191.03535	0.5
191.67517	0.4
192.04314	0.5
193.05070	0.8
195.02937	1.5
195.08215	0.4
197.09694	0.7
205.01419	5.3
206.02306	0.8
207.02983	3.6
208.03775	2.9
211.07726	0.4
213.09235	0.9
218.02544	0.4
223.67351	0.4
227.07120	1.3
235.02486	1.5
235.07935	0.4
236.03343	0.7
237.04114	0.6
239.07187	3.9
241.08699	7.0
243.06625	8.0
251.07129	0.4
253.08669	1.6
255.06731	3.0
257.08203	15.5
267.06549	1.6
269.08191	9.1
271.06100	1.8
279.06573	0.6
281.08264	3.2
283.06152	1.9
285.07712	65.2
286.08054	2.2
295.06058	0.7
297.07712	13.3
299.09296	2.0
313.07230	86.7
314.07605	2.4
315.08798	22.0
316.08997	0.6
325.07178	2.3
327.08661	1.9
343.08292	33.7
344.08582	1.8
355.08090	2.9
385.08670	0.7
397.09109	0.4
415.10587	2.7
433.11450	100.0
434.11856	6.8
629.31976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	20.9
59.01389	66.0
60.01731	0.3
69.03451	0.7
71.01385	16.9
73.02953	4.9
74.72071	0.2
75.00884	0.4
81.03452	1.1
81.87211	0.3
83.01401	3.1
85.02950	13.1
87.00868	2.7
89.02445	7.1
95.01392	1.2
97.02957	0.5
99.00884	2.6
99.04518	11.4
101.02441	18.8
107.05020	0.5
109.06601	1.5
111.00921	1.2
113.02453	8.2
114.05579	0.3
119.03500	3.7
119.05056	0.4
121.02969	1.1
121.06580	3.0
123.04504	1.1
125.02447	6.5
129.01956	1.1
131.03500	2.3
133.06625	0.3
143.03499	1.4
145.06610	3.4
153.05611	1.4
153.43300	0.3
159.02979	1.6
161.04550	8.1
161.09721	2.3
163.07658	5.1
173.00995	0.3
179.10760	3.1
191.02078	1.3
193.89897	0.3
197.04619	0.3
197.11832	0.5
221.06680	1.4
233.10260	0.4
241.10847	0.4
251.11404	9.7
293.12421	3.2
333.15524	0.3
385.15244	0.3
395.15628	15.6
396.16357	0.3
403.16159	100.0
404.16437	4.3
443.19318	1.3
703.84827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	37.0
60.32620	2.8
71.01395	22.4
75.94960	2.5
78.95884	4.4
85.02920	4.3
86.48089	2.5
87.00872	13.1
89.02438	54.8
92.11723	6.0
101.02452	25.7
113.02446	19.4
119.03477	5.4
125.02407	5.9
127.26943	2.7
131.03453	3.0
143.03487	4.3
144.56729	3.4
161.04573	12.2
167.71931	2.9
169.80902	3.1
178.50441	3.0
179.05603	38.6
204.76608	3.2
219.84766	3.2
221.06659	25.2
231.14413	2.8
235.43114	3.4
279.23297	22.7
280.22253	3.2
307.89795	2.7
397.99683	3.1
407.00821	3.1
485.15219	52.0
503.16287	100.0
605.78558	3.5
639.31641	58.1
765.39404	14.6
801.36621	84.3
801.49481	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	803.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75623	0.6
56.82217	0.6
57.03437	4.7
58.00600	0.7
59.01385	44.6
66.19967	0.7
67.01884	0.6
68.99830	1.4
69.03445	1.5
71.00989	0.8
71.01381	22.9
72.33375	0.6
72.99306	6.3
73.02934	3.1
75.00867	18.2
81.03427	1.2
83.01378	2.7
83.05019	1.4
84.02174	1.2
85.02948	24.7
87.00883	7.1
89.02430	8.2
92.38145	0.6
93.03419	3.5
95.01371	5.3
96.95997	0.8
97.02945	0.8
99.00876	18.8
99.04510	2.5
99.05878	0.7
101.02433	3.6
103.00355	1.6
108.02170	42.6
109.02931	4.7
111.00849	3.9
113.02441	30.3
115.00352	1.5
117.01924	1.3
119.03486	0.9
121.02913	3.5
121.06565	0.7
122.03707	3.9
123.04516	28.2
125.02441	1.4
129.01915	3.6
132.02148	0.9
133.02957	3.9
134.03694	1.0
135.08170	0.8
136.01627	0.8
137.02451	1.4
137.09694	3.3
147.04514	6.9
149.02429	10.5
149.06059	4.0
149.23082	0.9
150.03224	33.9
150.46660	0.7
150.48035	0.6
151.07607	2.8
152.01151	95.2
153.01875	3.1
157.01442	2.8
158.03781	1.1
159.04536	2.8
160.05327	7.8
161.06036	3.4
161.09749	3.8
163.03984	1.4
163.07663	1.1
164.04829	5.2
165.05560	18.2
167.03484	100.0
173.06071	2.5
175.02513	0.8
175.07664	7.4
176.04752	1.3
177.05560	4.9
178.06331	1.4
179.07123	0.9
179.10757	4.6
180.04262	1.1
181.08705	3.8
181.63106	0.8
193.05019	1.5
193.08698	0.9
195.06573	6.5
197.11859	3.1
201.09193	0.8
203.10710	0.7
217.12347	4.5
220.13292	0.6
223.09782	1.4
227.92418	0.8
231.05132	1.3
241.07104	7.9
249.06134	17.5
253.05301	0.7
267.07278	11.3
268.03720	1.1
270.09152	0.8
283.06201	1.3
285.11438	0.8
291.07251	1.2
309.08237	6.2
329.13934	10.9
338.32538	0.7
361.22235	1.3
429.17374	0.9
441.17670	14.5
447.18326	4.7
473.16672	11.5
477.19214	31.0
491.17706	1.3
507.20370	4.8
525.21179	12.5
553.19067	1.0
555.22278	7.2
617.20697	0.9
635.22021	14.6
711.26752	0.8
785.25323	1.2
803.26245	78.6
804.27197	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	805.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36731	0.1
59.01385	5.6
62.07203	0.1
62.81935	0.1
63.02399	0.5
65.00336	0.4
65.66373	0.1
70.11282	0.1
70.94909	0.1
71.01390	0.2
83.01385	0.2
85.02940	0.1
87.00857	0.1
91.01881	0.5
93.03433	0.4
99.04498	0.1
101.02484	0.1
101.81130	0.1
107.01363	0.7
108.01652	0.1
112.96233	0.1
113.02426	0.1
117.14062	0.1
132.02124	0.1
133.02931	2.1
135.00903	0.2
135.04509	0.2
149.02429	0.1
150.03192	0.1
151.00362	0.1
153.01955	0.4
155.04938	0.1
157.02951	0.2
159.04507	0.8
163.00371	0.2
165.05597	0.2
165.12837	0.2
167.03488	0.1
169.06596	0.2
180.04402	0.1
180.05852	0.6
181.05238	0.1
181.06630	1.1
182.03714	0.1
183.04431	0.8
185.31517	0.1
192.57957	0.1
196.05260	0.2
196.24199	0.1
197.06143	0.5
199.04030	0.2
201.05591	1.1
207.14001	0.1
209.11804	0.5
213.05629	0.2
223.03966	0.1
224.04874	0.8
225.05550	0.9
225.14934	0.4
227.03539	0.2
227.12883	3.5
240.04199	0.1
241.05156	0.4
251.12872	0.1
253.05125	0.1
268.03726	0.8
269.04556	100.0
270.04886	3.9
287.15012	8.1
288.15424	0.4
291.06689	0.5
311.05490	0.2
335.05814	0.2
401.29987	0.1
498.15747	0.1
522.56976	0.1
712.15588	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.6
59.01387	56.1
60.99305	2.2
61.63569	0.4
66.92902	0.3
69.03457	1.6
71.01382	31.4
72.99313	1.8
73.02946	45.7
74.03288	0.5
75.00899	0.5
81.03455	0.4
83.01385	13.3
85.02946	5.4
87.00846	0.9
89.01952	0.7
89.02443	12.2
92.09235	0.4
95.01363	1.0
96.00919	0.5
97.02916	0.6
99.00874	1.6
101.02435	41.7
113.02450	11.7
119.03499	4.6
124.04682	0.4
125.02444	1.7
127.27355	0.4
131.03497	2.7
143.03505	0.9
149.04564	2.4
155.03505	0.7
161.04538	5.6
171.08183	3.1
183.08104	0.7
189.09308	0.9
193.12325	8.1
196.09038	0.6
200.33324	0.4
211.11342	0.5
221.06615	0.7
223.11249	0.8
224.12080	0.9
229.12411	0.6
229.15991	2.3
237.12865	5.3
239.14413	38.7
240.14787	0.9
255.13904	0.4
256.11130	3.5
257.15482	20.9
258.15878	0.6
259.72510	0.4
269.04593	0.6
283.13422	4.3
301.14426	0.5
345.13480	11.8
355.17764	0.9
364.89642	0.5
373.18863	4.4
415.19797	100.0
416.20300	6.0
417.20551	0.7
422.67743	0.5
449.90948	0.5
809.03833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.8
57.03687	0.9
58.00579	0.9
59.01386	47.9
60.39828	0.8
63.21437	0.8
66.85387	0.9
71.01383	37.5
72.99282	1.6
73.02929	11.9
75.00855	1.1
75.61465	1.0
83.01385	4.5
85.02473	1.3
85.02950	27.2
89.02023	0.9
89.02443	13.4
89.20777	0.9
93.03454	1.5
95.01383	7.2
99.00860	1.6
99.04528	1.2
101.02435	20.7
109.03708	1.1
110.01299	0.9
113.02443	35.5
113.24413	0.8
119.03496	4.3
124.07651	1.2
124.78893	0.8
131.03494	2.0
137.02426	2.3
145.05342	4.0
146.06133	3.5
148.03999	1.2
149.04550	1.7
152.03587	1.1
159.03226	1.6
160.04036	29.1
161.04803	15.9
162.05573	1.0
165.01906	11.7
166.02689	1.2
176.03493	6.3
177.04266	6.4
180.04240	6.0
181.04999	1.6
184.49042	1.0
189.04312	36.5
190.40785	1.0
193.03764	13.1
193.12367	8.0
195.06668	10.5
210.05241	1.2
221.03418	11.2
221.06888	20.6
225.07716	8.6
245.12933	4.2
253.05830	6.3
265.83029	1.0
269.12991	19.2
270.13327	1.1
272.51782	1.1
285.12366	1.8
313.11987	20.9
345.14594	100.0
346.14835	5.6
355.17682	19.3
373.18607	4.9
415.19812	57.2
416.19989	1.6
417.15463	1.2
572.26288	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	805.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	15.8
59.01390	7.9
60.20472	0.9
67.01877	0.9
67.38396	0.9
68.99817	7.6
71.01395	12.7
71.74043	1.1
72.99295	5.6
73.02931	1.4
75.00880	49.5
78.95888	1.7
83.01382	2.3
85.02961	59.2
87.00880	6.6
95.01369	2.4
99.00880	3.5
111.00893	5.1
113.02455	35.3
115.00355	2.5
115.03159	0.9
116.01178	7.1
116.92895	1.1
117.01996	1.3
129.01933	17.2
153.03285	1.1
157.01402	2.1
179.36919	1.1
193.99582	1.2
197.52582	1.0
243.24916	1.1
745.41864	44.3
746.41663	2.1
805.43884	100.0
806.44434	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	809.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	27.1
59.01161	0.2
59.01391	4.5
61.11024	0.2
67.01875	0.3
69.03452	0.5
71.01382	5.5
72.99285	0.4
73.02941	2.7
74.65742	0.2
81.03427	0.5
83.01379	1.1
83.05013	0.5
85.02955	2.1
89.02444	1.5
93.07107	0.3
95.01412	0.3
95.05016	0.5
97.02941	4.0
99.00874	4.9
99.04509	2.9
101.02443	8.7
107.05023	0.5
108.05771	0.4
109.02927	1.2
109.06576	1.2
111.04508	1.6
113.02442	3.3
119.08651	1.2
121.06622	1.0
122.03692	0.4
123.04503	1.1
123.08121	0.6
125.02435	18.4
125.06063	3.2
125.09742	0.3
126.02727	0.4
131.03491	0.4
132.42902	0.3
135.08159	2.0
136.05289	4.7
137.06029	0.3
137.09718	1.7
138.06841	1.8
139.04037	0.3
139.07649	2.7
143.03488	0.3
147.08084	0.3
148.05304	1.4
149.02435	0.5
149.05995	0.4
151.07671	5.2
152.08403	3.0
153.09204	0.6
159.11780	0.6
161.04559	3.1
161.09865	2.3
163.07683	2.4
164.04739	0.4
164.08511	0.4
170.05850	0.6
171.08174	0.3
173.71315	0.3
175.07651	0.7
175.11240	0.3
177.12854	0.5
179.07053	0.3
183.11760	0.4
185.09717	2.4
186.10443	1.7
188.08382	0.4
189.09215	3.6
196.07452	0.5
201.12891	21.8
202.13280	0.4
202.96191	0.3
203.05565	0.4
203.10808	12.1
204.11581	47.4
205.11856	1.2
206.19954	0.3
219.13931	57.4
220.14243	2.1
223.06081	0.3
236.10355	0.3
245.11885	0.6
253.05081	1.1
263.12909	100.0
264.13184	4.1
293.08707	0.4
309.17734	0.3
401.11151	0.6
417.48303	0.3
419.12024	17.3
461.13177	11.5
462.13516	0.4
501.16132	2.6
563.16803	0.4
611.31268	0.4
665.24597	8.7
666.25177	0.4
707.25330	1.5
809.28882	16.2
809.41736	0.8
810.29382	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	809.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
58.00593	0.3
59.01386	23.5
62.12669	0.2
71.01379	14.3
72.00896	1.8
72.99305	0.9
73.02950	2.5
74.02469	3.5
83.01397	2.0
83.04999	0.2
85.02946	6.2
86.00095	0.2
87.00864	1.1
89.01881	0.4
89.02438	13.1
95.01358	1.6
99.00858	0.8
101.02433	13.7
102.79086	0.2
105.88905	0.2
109.67966	0.2
111.04515	0.4
111.87462	0.2
113.02438	7.4
116.04240	0.3
116.05059	9.4
119.03494	5.8
121.06605	0.2
131.03505	0.3
142.06622	2.8
143.03581	0.3
149.04570	0.2
159.03012	0.2
159.09296	1.9
161.04576	1.1
171.11786	0.4
179.05617	0.3
189.12837	1.2
203.08286	10.7
204.08556	0.2
218.17973	0.2
219.13884	0.3
237.14963	0.7
348.82007	0.2
373.92633	0.2
425.17978	0.2
443.19269	100.0
444.19626	3.2
467.19250	1.4
485.20380	0.7
497.20459	0.2
782.04419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	5.6
58.00584	0.8
59.01116	0.8
59.01392	21.3
60.32154	0.5
68.99825	0.5
71.01385	34.6
72.99309	27.0
73.02946	4.0
75.00458	0.7
75.00871	20.4
83.01399	4.4
85.02950	43.9
86.03268	0.5
87.00866	9.8
89.02441	9.4
95.01374	7.5
97.02930	0.5
99.00869	14.2
101.02441	5.7
103.00364	10.9
111.00919	0.7
112.01622	0.6
113.02443	55.8
114.02763	0.6
115.00371	4.6
117.01904	3.6
119.60752	0.6
129.01959	2.8
131.03511	3.7
133.01422	2.3
136.63229	0.5
139.00346	0.6
157.01474	3.9
175.02475	10.4
193.03551	22.8
200.10184	0.5
208.69534	0.6
235.04626	2.7
289.05649	2.2
351.05737	23.8
809.43378	100.0
810.44098	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	811.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	12.1
59.01388	100.0
60.02604	0.3
60.99311	0.4
67.05533	1.6
69.03463	0.5
71.01389	11.2
71.05030	0.6
72.99331	0.6
73.02946	7.5
75.00859	0.4
79.05547	0.4
81.03477	0.5
83.01414	0.7
83.05048	0.9
85.02946	4.8
87.00887	2.0
89.02444	10.9
95.01411	0.8
97.02960	0.7
97.06579	1.5
99.00878	17.5
99.04516	8.0
101.02443	6.1
103.00433	0.5
113.02460	8.4
119.08666	4.1
121.06645	0.6
124.05280	0.7
125.02430	3.2
131.03537	2.2
133.10207	2.7
135.08163	3.2
135.11813	3.6
137.09714	14.4
141.05647	0.5
143.03502	1.6
149.04524	3.4
155.03522	1.5
156.04100	0.4
161.04585	2.4
161.09732	4.4
163.07661	2.8
171.10341	0.4
179.10776	31.1
180.11130	0.5
181.08707	19.9
191.05644	3.5
197.11841	28.6
198.12051	0.5
203.05650	2.5
221.11803	2.8
223.09770	7.7
239.13002	0.5
241.10829	19.6
251.12852	1.6
265.10623	0.4
283.11951	0.5
289.16464	0.6
294.36087	0.5
295.11896	0.5
311.15088	2.6
313.12888	2.2
335.09921	0.7
355.13928	1.6
358.66159	0.4
373.15298	2.9
397.14896	0.7
415.16049	6.1
433.20782	2.4
559.20288	3.4
577.21252	3.8
707.33466	0.7
725.33990	2.1
749.33875	0.7
767.35028	79.5
768.35773	5.9
811.45038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
58.00591	0.7
59.01385	33.6
60.01698	0.5
68.99798	1.7
69.03429	0.5
71.01380	23.7
72.99290	2.0
73.02933	2.3
75.00867	17.2
78.84957	0.5
83.01385	2.3
85.02945	18.1
87.00851	3.8
89.02435	17.1
95.01379	5.6
99.00868	16.3
99.04524	0.5
101.02428	17.6
112.01624	0.8
113.02440	16.6
115.00343	0.6
119.03474	4.1
129.01862	0.5
131.03542	0.5
139.00368	1.5
143.03520	0.6
157.01414	2.9
161.04526	2.2
179.10791	1.7
223.09787	0.6
274.57104	0.4
280.12643	0.4
295.00711	0.4
385.07449	0.4
425.34308	0.7
441.34024	0.7
453.33856	0.6
471.05307	0.4
473.36691	0.5
647.41986	0.4
668.68683	0.5
767.35559	1.0
811.44916	100.0
812.45123	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	813.283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03196	1.8
57.03456	39.9
59.01385	100.0
59.70533	0.8
69.03421	1.2
71.01379	15.1
72.99290	1.3
73.02946	10.2
75.00883	1.0
75.70742	0.9
76.89431	0.9
81.07089	1.1
83.01373	2.4
83.05026	2.2
85.02937	7.8
87.00851	7.7
89.02439	5.3
94.89188	0.9
95.01391	1.7
95.04996	1.1
97.02946	10.7
99.00864	15.2
99.04498	4.3
101.02425	19.1
107.05020	6.0
109.02976	1.3
113.02446	10.6
120.05819	2.3
125.02430	55.4
125.06060	4.8
131.03445	2.0
135.04485	1.5
143.03535	1.9
152.04822	1.6
159.02998	1.2
161.04559	12.1
161.09702	18.1
161.13335	8.7
163.11293	7.6
179.10791	1.5
187.11275	19.0
189.09213	5.3
191.05557	1.2
203.05664	1.9
205.12384	10.4
207.10327	7.6
223.13408	30.6
249.11305	7.0
267.12442	10.2
287.07578	1.3
293.08798	1.8
402.47659	1.1
419.12131	17.9
461.13147	8.1
563.16296	7.0
669.24078	61.8
670.24213	2.1
711.25153	46.2
712.25201	2.2
751.28210	13.8
813.28302	50.0
814.29169	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	813.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	8.8
58.90741	0.4
59.01387	100.0
59.98506	0.4
60.01722	0.4
60.46484	0.4
67.05540	1.1
71.01378	8.0
71.28668	0.4
72.99303	0.7
73.02944	5.2
75.00887	0.5
78.95883	0.5
83.01387	0.7
83.05010	1.6
85.02947	5.8
87.00882	2.3
89.02445	6.7
89.62396	0.4
95.01382	0.9
95.05029	0.6
96.95961	0.6
97.06578	0.6
99.00872	12.9
99.04523	3.2
101.02434	2.9
108.46078	0.4
113.02451	5.7
115.51412	0.4
119.03539	0.9
119.08643	6.2
121.06583	0.9
125.02401	0.7
131.03477	1.1
133.10228	2.2
135.08141	3.1
135.11768	3.2
137.09708	18.4
149.04578	2.3
161.04565	1.9
161.09715	5.3
163.07680	3.0
179.10776	15.7
179.12271	0.8
181.08704	23.9
182.09016	0.5
191.05688	2.9
197.11845	26.6
198.12189	0.7
208.24925	0.5
223.09781	6.3
233.06650	0.7
241.10817	13.6
242.11353	0.5
372.69968	0.5
503.25452	0.8
545.26038	4.9
546.25610	0.5
565.98730	0.5
709.34387	0.8
727.35767	1.8
751.35968	1.9
769.36578	94.9
770.36951	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	815.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.5
59.01392	9.6
63.49289	0.6
71.01382	10.8
72.99295	3.8
73.02945	0.8
75.00865	12.3
76.57404	0.6
78.95892	1.1
80.96984	0.7
82.64541	0.6
85.02949	14.1
85.66965	0.6
87.00879	5.1
87.04509	0.8
89.02435	1.5
95.01390	4.5
99.00872	10.8
103.00380	1.0
113.02441	12.4
115.00359	1.2
117.01907	1.1
175.02440	1.1
179.14296	0.7
195.13919	1.5
221.15504	3.1
239.16568	14.1
249.06238	1.3
250.54852	0.7
255.23315	65.8
256.23694	2.9
268.17587	0.7
279.23343	4.1
291.19647	2.7
327.21793	3.6
397.16724	0.8
505.30194	0.7
699.27087	0.8
741.53040	1.1
793.52289	0.9
797.50214	1.1
811.12579	0.8
815.51666	100.0
816.52435	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	818.5927
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27473	0.3
63.88303	0.3
66.13291	0.3
78.95905	14.1
93.15829	0.3
116.55419	0.4
116.92769	0.4
127.11273	2.4
152.99609	3.4
153.12856	0.6
168.04277	2.0
171.08809	0.5
171.10266	12.6
182.56808	0.3
193.41650	0.4
224.07007	5.7
242.08156	1.1
251.23853	0.5
279.20383	0.7
279.23309	14.6
281.24884	66.0
282.25146	2.2
295.22687	0.5
297.24384	100.0
298.24753	3.0
340.41840	0.4
450.91541	0.4
506.32553	43.8
507.33054	1.9
619.52411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5927
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	4.5
90.64079	0.4
92.11694	1.7
97.06542	0.4
102.23779	0.4
113.09722	0.6
116.92841	0.5
151.18115	0.4
152.99612	1.7
183.13896	45.8
242.07832	0.6
276.95856	0.5
279.23245	8.7
281.24866	52.3
282.25269	2.6
295.22781	0.8
297.24365	100.0
298.24667	3.0
434.84750	0.5
506.32510	19.7
507.32846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	18.3
57.23087	0.4
59.01385	62.7
63.78396	0.4
63.81979	0.4
69.03461	0.5
71.01379	11.5
72.99286	0.7
73.02925	0.9
73.31712	0.5
83.01402	0.9
85.02953	3.5
89.02438	13.1
90.47617	0.4
91.18333	0.5
92.12424	1.1
95.01371	1.7
96.96008	1.1
97.02958	4.5
99.04518	10.3
101.02438	12.4
102.53052	0.4
113.02441	6.2
119.03485	5.4
125.02429	32.0
126.02728	0.7
143.03537	0.9
147.08205	0.5
161.04518	0.6
163.11288	39.5
164.11542	0.7
203.05748	0.5
207.54630	0.5
243.08804	0.5
287.07736	0.6
305.06973	2.0
329.08817	2.0
387.16647	100.0
388.17017	5.0
431.12073	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	819.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81936	2.0
59.01387	100.0
65.06570	2.3
71.01376	41.6
73.02938	10.1
82.93250	2.2
83.01377	4.8
85.02953	20.8
89.02441	14.0
90.41975	2.6
94.02999	2.3
95.01365	2.4
97.02905	2.2
99.00880	2.5
101.02418	23.8
102.01878	2.3
113.02448	28.4
116.07530	1.9
119.03480	3.5
125.02412	5.5
143.03452	2.5
161.04492	2.6
169.42851	2.4
397.35730	2.3
467.30316	2.8
485.31387	3.6
611.34302	22.5
629.35559	54.2
647.36609	16.7
653.97827	2.7
671.36713	15.6
689.37732	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	821.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.6
58.00587	0.9
59.01387	28.1
63.14157	0.3
68.99801	0.8
71.01382	23.2
72.99296	2.1
73.02940	1.9
75.00869	14.8
78.95911	0.7
79.03999	0.4
79.95134	0.4
80.57249	0.4
82.36581	0.3
83.01376	3.6
84.02177	0.5
85.02467	0.8
85.02947	15.8
87.00867	3.6
89.02442	15.8
92.12278	0.4
94.01437	0.4
95.01398	4.4
99.00874	15.4
101.02438	14.1
110.38032	0.4
112.01625	0.5
113.02448	14.7
117.49747	0.4
119.03487	3.8
129.01947	0.3
131.03470	0.5
139.00343	0.9
143.03415	0.4
151.12694	0.4
152.99580	0.6
157.01405	2.5
161.04626	1.7
188.43823	0.4
295.56964	0.4
641.40082	0.5
821.47021	100.0
822.47357	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	822.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	5.1
59.01393	2.3
61.98835	100.0
66.49069	0.4
69.03459	2.2
71.01396	4.8
72.99313	2.3
73.20266	0.4
75.00872	25.2
80.93650	0.4
83.01391	0.9
85.02951	30.2
87.00890	1.6
89.02443	0.5
90.08537	0.4
95.01386	2.6
96.35999	0.4
97.02944	2.5
99.00883	2.2
100.57284	0.4
110.81734	0.4
111.00928	0.4
112.01716	0.5
113.02444	20.0
115.00361	1.6
116.01132	2.5
117.01974	0.5
119.25557	0.5
125.02460	4.1
126.04651	0.4
151.24084	0.4
156.40561	0.4
157.01430	1.0
172.51624	0.4
175.02554	0.4
181.15898	0.4
192.49184	0.5
269.74991	0.6
659.41644	1.8
759.43335	89.3
760.43848	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	823.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29859	0.5
59.01382	7.1
71.01382	2.1
80.25109	0.5
89.02432	0.8
91.05495	0.7
93.03453	9.2
95.01389	2.3
99.04501	2.8
101.02391	0.9
105.63237	0.5
107.05018	2.8
108.02166	0.6
109.02944	4.4
113.78746	0.7
119.04986	1.9
121.02933	4.6
122.03731	5.5
123.04516	23.8
133.02936	1.2
134.03725	3.5
135.04520	25.1
136.05305	6.3
137.02478	1.3
137.06100	6.7
146.03731	0.7
147.04541	3.2
148.01662	14.5
149.02441	4.9
149.06068	1.1
150.03224	5.0
151.03999	22.3
161.02428	13.4
162.03230	33.2
163.04005	46.1
164.04733	3.5
165.01884	0.9
165.05550	3.3
166.02751	0.7
167.03503	3.6
174.03172	1.3
175.03996	4.3
177.05597	2.8
179.03459	5.3
181.05072	6.4
187.04068	0.6
189.01918	6.9
189.93045	0.5
190.02715	42.0
191.03505	44.6
192.04160	3.2
193.05060	5.3
194.05769	0.8
202.02792	2.3
203.03484	4.9
204.04282	3.1
207.03059	1.0
208.03777	1.0
209.04565	28.7
220.03789	23.0
221.04549	24.3
229.08699	0.9
232.03856	1.1
233.04488	1.1
238.04773	0.6
239.05569	12.6
241.08690	3.6
243.07680	0.4
243.10193	5.0
255.06760	1.0
255.10207	1.1
269.08191	4.3
271.09821	4.3
273.07620	0.8
279.06702	1.0
281.08212	1.0
283.09885	3.9
297.07703	27.6
297.11105	0.9
298.07828	0.9
299.09335	4.3
309.07724	2.1
315.08774	100.0
316.09067	3.3
327.08698	11.9
339.08676	0.7
345.09827	33.7
346.10046	0.8
357.09875	1.1
387.16727	7.8
399.10587	0.8
417.12015	7.0
435.12994	94.4
436.13202	3.9
450.46902	0.7
559.10236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4493
Annotation	Digitoxin
Peak:m/z	Relative Intensity
59.01389	29.1
62.30803	1.3
62.88544	1.2
71.01380	22.8
72.99318	1.9
73.02930	1.4
75.00873	14.2
75.21387	1.4
78.95910	2.4
83.01376	1.9
85.02943	15.6
87.00889	3.0
89.02454	14.1
95.01363	5.1
99.00889	18.0
101.02441	17.3
113.02454	14.0
119.03461	4.9
120.04780	1.1
160.73407	1.2
161.04514	1.5
176.59769	1.5
530.20020	1.3
584.89880	1.4
823.44983	100.0
824.45941	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	823.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95709	0.6
59.01387	9.0
61.98813	1.5
63.77342	0.5
71.01393	1.2
72.58043	0.6
76.69505	0.6
81.03003	1.0
81.03458	26.2
83.05029	70.7
84.05349	0.8
85.02945	1.2
92.11707	3.3
96.96030	0.9
99.04514	1.0
100.07684	12.0
108.04498	0.7
109.02897	1.0
110.27598	0.8
113.02504	0.7
119.05002	0.9
124.01678	0.8
125.02477	1.0
145.07689	1.3
152.01144	1.5
167.03471	0.9
179.10805	2.9
188.08438	0.9
199.18173	14.4
207.15077	1.0
214.10112	0.9
224.17622	1.2
225.16098	12.1
243.17125	34.5
244.17488	0.9
269.04657	2.8
271.06094	1.4
283.25354	0.9
353.20782	10.5
451.32867	4.8
469.33972	25.3
470.34351	1.1
496.21002	1.5
579.38019	6.2
695.50647	10.8
696.51532	1.2
699.35364	0.8
805.53870	1.6
823.55566	100.0
824.55951	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	825.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	34.2
79.95747	1.2
85.02923	0.2
92.11759	0.2
92.65074	0.2
96.96004	88.3
97.05998	0.2
97.06586	0.9
125.02391	0.3
135.08168	1.0
139.84485	0.2
140.12068	0.2
147.08151	2.2
157.52071	0.2
162.18756	0.2
165.09195	1.0
181.12381	0.2
225.11345	31.7
226.11772	0.7
305.07040	100.0
306.07333	2.3
307.40060	0.2
387.16943	0.2
460.79269	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.9
59.38075	0.2
68.99814	0.5
71.01377	2.2
72.99315	0.5
73.02940	1.4
76.62312	0.3
83.01379	4.5
84.02155	1.4
85.02945	100.0
86.03255	0.5
87.00872	0.5
89.74372	0.3
91.01865	0.7
92.38569	0.3
96.20502	0.3
99.00838	0.4
101.02422	1.1
103.00358	0.3
108.02142	2.7
109.02970	0.4
111.00867	10.3
117.03436	1.5
123.00874	0.4
123.04518	7.8
124.01633	0.5
128.03543	1.4
129.01929	39.2
133.06940	0.6
134.03726	17.3
137.02470	0.4
147.03004	8.8
149.06082	2.9
152.01152	2.6
157.06213	0.6
160.01659	2.4
162.03278	0.3
167.03502	15.6
167.04926	0.5
168.03841	0.3
171.72980	0.3
173.00916	11.0
175.04007	3.8
178.02727	1.5
191.01990	6.7
192.04289	1.1
193.05054	17.9
207.06676	1.2
209.02960	2.2
221.83157	0.3
235.06091	4.8
255.57965	0.3
257.00934	0.3
261.07666	1.3
279.04977	0.4
279.65051	0.4
297.06152	8.3
320.09232	2.7
321.09662	0.6
323.04333	0.4
323.07816	1.7
341.05209	10.6
359.06134	5.7
367.06735	11.0
379.17712	2.2
385.07843	4.9
499.08234	0.4
535.11035	6.3
536.11456	0.4
562.26221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	0.4
59.01385	25.6
67.22921	0.1
71.01382	14.8
72.99300	0.7
73.02952	1.2
83.01375	1.6
85.02951	4.1
87.00871	0.9
89.02444	15.9
95.01388	0.8
96.95994	1.1
99.00871	1.0
99.08151	14.0
100.08498	0.2
101.01766	0.4
101.02438	12.0
104.79942	0.2
108.42389	0.2
110.97243	0.2
113.02447	6.8
115.00384	0.4
118.80784	0.2
119.03494	6.4
121.02953	6.3
122.03322	0.2
127.07648	2.2
129.09210	2.1
131.03519	0.2
141.09248	1.3
141.90083	0.1
143.03528	0.2
143.10793	0.2
145.08711	49.4
146.09047	0.7
149.04546	0.3
153.09215	0.2
161.04602	0.4
167.03510	0.7
179.05618	0.7
187.09830	1.7
205.12434	0.3
226.19687	0.2
227.12956	0.2
307.14026	100.0
308.14291	2.2
396.38187	0.2
417.37720	0.2
443.19196	3.1
444.19785	0.2
485.20541	1.2
488.96259	0.2
517.22986	2.2
525.23529	0.2
537.40363	0.2
587.23535	4.1
588.23560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	3.1
59.01389	88.4
61.76053	0.5
67.01915	0.8
69.03454	2.6
71.01391	78.4
72.99321	6.0
73.02953	10.9
75.00886	2.4
81.03466	2.6
83.01397	5.5
85.02957	18.8
87.00882	29.1
89.02448	100.0
95.01395	7.4
97.02952	6.4
99.00863	4.2
99.04524	0.8
101.02441	58.2
104.48495	0.6
107.79382	0.8
111.00871	1.0
111.04524	0.7
113.02446	40.4
115.04030	0.8
119.03497	18.7
123.04549	0.8
125.02435	11.2
129.01938	1.3
131.03481	5.6
139.03998	1.1
141.01924	2.6
143.03508	8.1
147.03041	0.7
149.04535	2.8
161.04553	17.2
167.03465	0.9
179.05611	39.6
203.05615	1.1
221.06673	51.5
222.07242	0.7
235.08250	4.4
263.07828	1.2
279.23297	23.1
281.08868	0.9
282.80432	0.7
302.45566	0.8
305.08936	1.0
321.24277	1.2
323.09796	4.6
341.10870	4.1
485.15152	48.1
486.15622	2.7
503.16238	99.4
504.16586	5.4
563.93494	0.8
765.39417	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	825.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01147	1.4
59.01386	24.4
63.19386	1.3
70.85742	1.3
71.01382	37.1
72.99304	25.3
73.02936	5.9
75.00868	21.6
75.01765	1.6
75.67032	1.4
76.97510	1.6
77.62062	1.4
83.01366	1.7
85.02956	38.9
87.00860	8.4
89.02422	10.1
95.01369	7.9
96.97747	1.4
99.00897	12.5
101.02425	6.8
103.00359	8.6
113.02453	47.6
115.00333	6.2
117.01906	1.7
128.03503	2.2
129.02017	1.9
131.03481	2.9
140.99844	1.6
157.01508	2.4
175.02457	8.9
193.03490	22.4
235.04509	2.6
269.04559	6.5
289.05701	2.2
351.05701	27.7
649.39795	2.7
825.42932	100.0
826.43335	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	825.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98646	1.6
59.01157	1.7
59.01391	25.9
68.99786	1.7
69.45037	1.7
71.01380	22.3
72.99297	2.5
75.00861	16.0
75.86555	1.2
83.01386	2.2
85.02957	16.8
87.00845	2.6
89.02439	9.8
95.01350	6.6
99.00876	24.1
101.02443	11.3
113.02440	13.7
125.94843	1.4
189.37630	1.8
332.51117	1.6
452.10855	1.6
459.35034	3.1
487.34125	2.4
508.42136	1.5
540.51544	1.7
601.37451	2.8
645.36700	2.0
751.75958	1.7
825.42847	100.0
826.42847	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	827.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.5
59.01388	100.0
69.03458	1.6
71.00805	0.5
71.01058	0.7
71.01384	41.8
72.99319	2.3
73.02946	64.3
75.00892	0.7
81.03465	0.7
83.01388	15.1
85.02954	11.7
85.03413	0.7
86.03289	0.6
87.00885	0.9
87.62549	0.4
89.02437	8.7
95.01381	0.9
96.96012	4.9
97.02950	1.0
98.95598	0.5
99.00914	0.9
101.02438	48.7
109.02931	0.4
111.00883	0.6
113.02447	13.8
119.03493	4.2
125.02479	2.4
128.03584	0.6
129.01979	1.7
130.02344	0.4
131.03476	4.0
134.03737	0.5
137.09744	1.6
143.03488	3.1
147.03015	0.5
149.04532	7.7
161.04578	17.2
161.05855	0.7
186.74641	0.4
191.02116	0.6
195.82837	0.3
197.11929	0.5
203.05779	2.1
221.06693	7.5
261.07971	0.8
269.04642	0.6
269.10455	1.0
271.06055	0.5
302.03812	0.4
311.11469	1.8
341.05240	0.5
346.61246	0.4
369.06750	0.4
369.32220	0.4
403.16638	0.4
537.21948	7.5
638.16193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48839	0.3
59.01387	81.0
59.90358	0.4
63.11693	0.4
63.33745	0.4
67.05527	0.8
71.01389	7.4
71.05029	0.7
72.05872	0.4
72.99313	1.0
73.02954	3.6
73.20432	0.4
83.01362	0.6
83.05027	2.2
85.02938	2.9
87.00879	2.6
89.02453	5.3
92.11807	0.5
95.01382	0.5
97.06615	0.5
99.00889	8.6
99.04526	3.1
101.02442	4.1
108.55849	0.6
109.06523	0.4
112.10400	0.5
113.02438	5.9
119.03520	0.5
119.08650	5.0
121.06584	0.5
131.03481	0.9
133.10281	1.8
135.08159	2.7
135.11826	2.1
137.09714	16.8
138.06831	0.5
139.07747	0.6
149.04581	1.0
151.07675	0.8
152.08437	2.1
153.09245	7.0
161.04558	2.0
161.09729	4.6
163.07664	2.9
179.10774	11.4
181.08711	20.1
191.05602	1.8
197.11839	28.2
203.05592	0.6
205.12364	8.4
223.09795	5.1
223.13388	0.7
241.10829	14.9
261.73840	0.4
367.17371	0.7
385.18854	1.0
517.22906	0.8
544.93262	0.5
559.24103	5.7
643.38519	0.6
711.95410	0.5
741.33246	1.6
765.32996	2.4
783.34546	100.0
784.34937	9.2
827.44220	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	828.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.5
59.01119	0.7
59.01390	18.0
61.61021	0.5
61.98838	37.6
65.35435	0.5
71.01386	17.0
72.99303	1.1
73.02911	0.6
74.38551	0.5
75.00874	14.2
83.01387	1.0
85.02953	13.8
87.00874	1.0
89.02441	15.0
95.01379	2.9
99.00879	14.2
101.02428	4.2
112.01656	0.6
113.02444	11.7
129.01964	0.7
131.03490	2.8
155.22511	0.5
157.01442	2.7
457.36917	0.9
699.62903	0.7
765.44397	100.0
766.44714	7.2
789.88824	0.6
809.91553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	3.0
63.78330	0.3
65.03962	0.4
67.01882	0.5
69.94928	0.3
70.96154	0.2
71.01376	1.9
73.02923	0.4
78.65231	0.3
79.05528	1.8
83.01382	0.4
83.05042	0.3
85.02924	0.6
91.05518	0.5
93.03453	2.7
95.01380	2.7
99.04546	2.8
101.02419	1.8
105.03471	2.3
107.05059	2.5
108.02151	0.6
109.02953	10.0
118.26938	0.3
119.05045	2.3
121.02959	6.6
122.03751	3.7
123.04525	53.9
124.04867	0.6
125.02431	2.1
132.02893	0.3
133.02956	5.6
134.03674	0.5
135.00809	0.5
135.04532	13.6
136.01700	2.0
137.02435	5.3
137.06096	0.7
138.03278	0.5
140.71304	0.3
145.02917	1.2
147.04579	0.4
148.01651	1.4
148.05339	0.7
149.01253	0.4
149.02444	11.6
149.03580	0.6
149.06064	0.5
150.03233	11.8
151.04012	23.1
159.04466	0.4
161.02475	2.1
161.04578	0.7
162.03105	0.4
163.04013	28.4
164.04697	0.5
165.05571	1.1
167.03537	3.1
175.04021	0.6
177.01944	3.1
178.02721	5.1
179.03499	1.8
181.05099	6.6
182.02185	2.7
182.07278	0.6
189.01976	0.6
191.03545	1.2
193.05023	1.3
195.02998	1.6
195.08134	0.4
197.09746	0.6
203.06934	0.3
205.01433	4.6
206.02187	1.4
207.03003	3.0
208.03781	1.5
213.09218	1.2
217.05087	0.7
227.07193	1.8
235.02505	1.4
237.04303	0.4
239.07130	2.7
241.08742	5.6
243.06613	7.2
251.11388	1.8
253.08607	0.7
255.06635	3.3
257.08231	12.1
267.06607	1.8
269.08237	7.8
271.06155	1.7
279.06769	0.5
281.08109	2.6
283.05948	2.1
285.07718	56.3
286.08026	1.9
293.12613	0.6
297.07706	12.1
299.09299	1.6
313.07230	77.0
314.07495	2.1
315.08789	21.8
316.09183	0.3
325.07257	2.3
327.08768	1.3
343.08276	31.6
344.08484	0.5
355.08279	2.5
357.09933	0.3
373.09491	0.3
385.09106	0.4
395.15656	3.3
396.16003	0.4
397.09518	0.4
415.10425	3.4
415.71213	0.3
433.11447	100.0
434.11862	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	829.351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	77.2
60.54929	0.6
64.34613	0.7
64.49880	0.6
67.05513	1.6
68.24771	0.6
71.01369	4.7
72.99323	0.6
73.02946	2.7
83.05014	1.3
85.02954	3.2
87.00886	1.6
89.02435	3.3
92.11763	0.9
97.02896	0.8
99.00885	3.2
99.04526	3.6
101.02436	3.9
113.02451	5.1
119.08683	4.6
123.08147	1.3
124.05285	3.1
133.10199	2.9
135.08217	1.2
135.11804	8.7
137.09700	12.3
161.09703	5.0
163.07594	1.0
163.11288	2.4
179.10776	64.0
181.08714	18.5
185.66252	0.6
187.92438	0.6
189.12848	3.5
197.11852	22.6
207.13957	5.0
223.09750	10.1
241.10808	10.1
275.13882	0.7
501.23447	9.1
519.24597	7.9
536.38226	0.8
561.25629	4.7
681.35303	3.0
725.33362	7.0
743.35168	3.0
767.34277	1.0
785.36066	100.0
786.36743	5.7
828.45667	1.0
862.99365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.9
59.01386	100.0
59.75177	0.5
60.01706	1.0
66.23672	0.7
66.71680	0.6
71.00991	0.9
71.01383	24.6
71.22381	0.6
71.62097	0.6
72.99294	1.1
73.02941	10.5
75.00853	0.9
83.01369	3.9
85.02953	10.2
87.00858	3.4
89.01952	1.0
89.02444	17.6
95.01387	2.9
97.02947	0.8
99.00871	1.4
99.04536	0.9
99.31393	0.7
101.02436	19.4
113.02448	16.4
119.03487	7.9
125.02420	3.0
131.03445	0.7
135.08176	0.8
135.11784	1.0
137.09700	3.1
143.03452	0.9
161.04559	1.2
161.09673	0.7
163.11311	7.1
176.63907	0.7
176.68391	0.7
179.10768	7.9
181.08730	3.0
182.02214	0.9
190.24379	0.7
193.12315	1.2
197.11853	4.1
207.10300	12.4
223.09761	1.3
241.10736	1.2
355.17319	0.9
369.15457	3.6
387.16568	20.0
415.19690	1.5
452.34961	0.8
501.23315	1.6
519.24408	0.8
725.34082	1.5
743.35522	1.3
785.36084	99.1
786.36456	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	829.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01696	0.3
69.03472	0.2
71.01379	13.9
72.01710	0.2
72.99313	0.3
73.02946	4.9
75.00877	1.0
76.58142	0.2
79.53518	0.2
80.21060	0.2
83.01389	2.6
85.02943	7.6
87.00887	1.3
88.98829	0.2
89.02435	4.7
95.01389	1.2
97.02928	0.4
98.82308	0.2
99.00853	2.0
99.04538	0.7
101.02434	14.1
111.00933	0.3
113.02444	6.8
119.03532	1.0
120.03410	0.2
125.02469	0.4
129.01932	0.4
131.03534	0.5
135.52197	0.2
137.09673	0.3
143.03473	0.7
144.08459	0.3
152.01112	0.2
159.02971	1.5
159.13951	0.8
161.04573	4.9
163.11137	0.2
165.05547	0.2
167.03499	0.2
218.98450	0.2
221.85231	0.2
237.59900	0.2
242.05267	0.2
263.15186	0.3
270.00531	0.2
272.26089	0.2
289.16791	0.3
303.18317	1.2
321.19196	11.4
331.25003	0.3
363.20276	15.4
364.20792	0.3
407.19644	0.8
421.20923	3.0
531.25433	0.3
742.76349	0.2
785.37988	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	831.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.6
71.01373	11.4
72.99309	5.6
73.02941	0.9
75.00857	13.7
78.95899	3.9
85.02948	16.7
87.00850	5.8
89.02441	4.5
90.12152	0.8
95.01379	3.8
95.05021	1.8
99.00870	9.2
113.02440	12.0
115.00304	1.1
116.49109	0.9
116.92760	1.2
117.01937	3.5
152.99615	0.9
154.17038	0.7
158.75218	0.7
171.10265	3.9
175.02519	1.5
211.13402	4.2
229.14465	9.5
249.06140	1.3
255.23309	74.5
256.23694	1.6
343.21359	10.1
488.12225	0.8
831.51184	100.0
832.51294	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	832.5719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.2
78.95903	3.5
92.88429	0.2
93.06387	0.2
100.26836	0.2
102.88895	0.2
113.08965	0.2
116.92862	0.3
122.55737	0.2
125.09693	1.0
127.11272	2.5
139.11319	0.3
141.12865	3.4
143.10777	1.2
152.99538	0.9
153.12888	0.3
155.10806	1.4
155.14462	0.2
159.74422	0.2
163.80692	0.2
168.04314	0.4
169.12386	0.2
171.10245	3.3
171.13893	1.1
201.11336	1.3
217.00249	0.3
224.06960	0.9
239.23839	0.3
255.23386	0.3
267.23166	0.2
277.21747	10.3
278.22116	0.4
279.23257	2.4
295.22784	1.0
297.24393	7.4
311.22256	0.5
313.23868	8.1
315.25424	100.0
316.25757	3.8
502.29468	8.6
635.58014	0.2
817.43665	0.3
833.51740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.2
71.01382	7.2
72.99306	1.1
73.02950	0.7
83.01391	5.8
84.02145	1.9
85.02950	100.0
86.03299	0.6
87.00911	0.8
100.04033	0.5
101.02439	1.1
111.00875	11.2
115.00394	2.1
121.02952	39.0
122.80844	0.5
123.00891	1.0
129.01936	41.7
138.03275	2.0
139.00369	2.5
139.04012	0.9
147.03015	9.0
147.04417	0.7
149.02434	19.5
153.05576	8.7
164.04787	11.9
166.99858	0.5
173.00911	13.2
179.07178	1.8
181.01529	0.6
182.02222	4.0
190.02747	2.6
191.01988	7.3
191.03473	0.7
193.01471	1.1
196.03920	0.5
197.04553	16.9
205.05116	3.1
207.03079	0.9
208.03825	1.1
209.03082	0.5
222.05392	1.0
223.06134	18.3
237.04150	2.4
237.07771	1.0
265.07162	4.4
291.08847	0.7
327.07251	8.8
330.25806	0.5
335.08084	0.6
353.08890	2.2
358.42297	0.5
371.06268	6.5
389.07275	4.3
397.07748	6.8
415.08789	3.8
595.13629	1.1
651.00360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5198
Annotation	Phosphatidylinositol(34:2)
Peak:m/z	Relative Intensity
58.95001	0.3
59.01387	0.4
59.11466	0.4
60.66386	0.4
61.98804	0.4
70.27048	0.3
78.26208	0.3
78.95903	58.2
90.08456	0.3
96.96955	16.1
100.69620	0.4
102.97786	0.3
134.98517	0.6
152.99591	21.2
160.91164	0.3
223.00175	7.4
241.01204	30.4
255.23317	74.5
256.23645	3.0
259.02203	2.7
277.21725	0.7
278.22064	0.4
279.23306	63.8
280.23593	2.9
297.03766	2.2
315.04916	1.7
391.22580	6.4
409.23575	0.4
463.95966	0.4
553.27625	2.8
577.28168	0.5
713.99353	0.4
733.11456	0.4
833.51959	100.0
834.52264	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	835.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.6
61.98830	0.3
63.02384	0.4
65.00327	2.3
69.03458	0.2
71.01369	1.1
73.02922	0.2
81.03449	2.0
83.00919	0.3
83.01386	6.0
85.02929	0.3
89.02427	0.3
93.03455	2.7
97.02936	1.2
101.02422	0.8
107.01384	4.2
107.05006	1.7
108.02196	0.2
109.02947	1.1
111.00878	0.3
113.02399	0.3
117.03455	1.3
119.04986	0.3
121.02943	1.7
123.00835	0.3
123.04555	0.4
124.01704	1.5
125.02437	90.8
126.02789	1.4
131.05028	0.4
133.02943	1.7
135.04492	0.3
137.02452	1.1
139.03986	2.4
147.04500	0.3
149.02449	8.5
151.00371	21.9
152.01151	3.8
153.01930	7.5
153.03099	0.3
155.05069	0.4
156.05780	0.3
157.06549	1.1
158.03745	0.4
159.04520	1.2
163.00412	1.3
165.01920	2.4
167.03490	1.3
169.01433	0.7
169.06502	1.4
171.08171	0.2
172.05284	1.5
173.06046	3.7
175.03995	1.1
176.01172	1.3
177.01906	0.4
177.05544	2.6
178.99869	15.1
179.03481	3.7
180.00430	0.2
180.05734	0.3
181.01508	0.2
181.06575	0.9
183.04544	0.3
187.07672	0.3
191.03572	0.4
193.01413	0.3
194.09343	0.2
196.05275	0.8
197.06119	1.8
199.04021	1.0
199.07701	1.3
200.04793	0.4
201.05597	3.3
203.03546	0.3
213.05588	0.8
215.07161	5.4
219.06787	0.6
224.04762	0.3
225.05620	4.4
227.03401	0.2
241.05058	3.2
242.05937	0.2
243.06639	5.7
255.06868	0.2
259.06128	72.4
260.06436	2.9
268.03793	0.6
269.04572	62.6
270.04941	2.6
279.60547	0.2
283.06247	1.3
287.05637	31.1
288.05887	1.0
305.80197	0.2
311.05679	1.7
315.07309	0.4
341.05023	0.4
342.05884	0.7
421.11731	0.4
431.09875	0.7
449.10965	100.0
450.11310	6.2
600.95660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	16.0
61.22056	0.5
71.01380	0.5
78.06675	0.5
78.08063	0.6
78.95899	11.4
86.68562	0.6
105.48654	0.6
110.20389	0.6
152.99582	0.6
168.04306	3.6
185.64597	0.6
220.33739	0.6
224.06972	1.4
277.21741	100.0
278.22156	3.4
279.23254	6.0
280.23843	0.8
375.94012	0.7
425.17389	0.7
484.28305	1.1
502.29437	4.5
534.00153	0.7
541.74622	0.7
709.47131	0.8
762.50861	35.0
763.51459	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	837.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	0.1
59.01392	2.6
61.64613	0.1
66.82150	0.1
71.01381	0.3
73.02946	0.1
77.92422	0.1
83.01388	0.1
85.02955	0.4
91.01909	0.2
98.19602	0.1
99.04486	0.1
101.02438	0.3
105.25756	0.1
111.28263	0.1
113.02445	0.1
117.03503	0.1
132.02136	0.1
133.02986	0.6
135.00873	0.4
153.01941	0.3
161.04593	0.2
167.03551	0.1
169.06499	0.1
180.05949	0.1
181.06711	0.1
187.40143	0.1
193.05064	0.1
196.05251	0.3
197.04530	0.1
197.06140	0.5
208.05305	0.8
209.06143	0.8
210.03232	0.1
211.04065	0.1
220.81186	0.1
221.06062	0.1
223.04019	0.3
224.04797	1.3
225.05560	0.7
237.05560	0.4
249.05576	0.1
249.13512	0.6
251.03377	0.1
252.04327	2.0
253.05090	100.0
254.05428	2.0
255.06602	0.1
267.06650	0.1
275.07205	0.2
295.06204	1.2
318.06650	0.1
335.20770	0.1
458.47055	0.1
553.46667	0.1
598.89569	0.1
619.08154	0.1
730.99347	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94999	0.6
59.01112	1.1
59.01385	25.5
62.50084	0.5
70.53873	0.7
78.95897	17.5
83.19274	0.7
152.99530	1.2
168.04288	4.4
198.81775	0.8
224.06926	3.8
265.41086	0.7
277.21735	81.3
278.22086	1.0
279.23294	100.0
280.23737	2.7
464.50925	0.7
502.29553	2.7
504.30963	1.5
642.01001	0.9
706.56274	1.0
751.90143	0.9
764.52374	54.3
765.52228	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	839.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
60.33552	0.1
63.02391	0.6
64.99993	0.1
65.00328	0.5
68.99805	0.1
71.01381	1.4
72.99302	0.1
73.02917	0.1
83.01393	0.1
85.02930	0.4
87.00863	0.1
89.02435	1.4
91.01883	0.4
95.01395	0.1
101.02439	1.4
101.74456	0.1
107.01390	0.9
113.02441	0.7
113.09718	2.3
119.03484	0.6
123.04485	0.1
131.82605	0.1
132.02177	0.4
133.02934	2.2
135.00870	0.1
135.04503	0.4
141.09192	0.5
143.10712	0.1
151.00461	0.1
155.05098	0.1
155.10760	0.1
157.02930	0.4
159.04512	1.1
159.10260	6.2
169.06549	0.4
171.04402	0.1
173.06018	0.1
176.01077	0.1
180.05798	0.6
181.06583	1.3
183.04504	0.8
195.04413	0.1
196.05199	0.5
197.06094	0.8
199.04024	0.3
201.05586	0.9
201.11374	0.3
209.06085	0.2
213.05614	0.4
223.03957	0.1
224.04778	1.1
225.05571	1.3
227.03514	0.4
237.05598	0.1
239.03427	0.4
240.04361	0.5
241.05052	0.4
246.72684	0.1
253.05095	0.9
265.05206	0.2
267.03049	0.5
268.03799	6.8
269.04565	100.0
269.74054	0.1
270.04916	3.1
271.06201	0.1
279.06674	0.1
281.04568	0.1
283.06134	0.3
291.06680	0.9
311.05630	5.3
312.05783	0.1
321.15579	10.0
322.15976	0.3
335.05682	0.3
353.06528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95993	0.2
59.01393	2.5
61.57722	0.2
63.02391	0.5
65.00327	1.8
71.01363	0.6
74.67638	0.3
79.23671	0.3
81.03456	1.6
83.01379	5.3
85.02959	0.6
93.03452	1.7
97.02937	1.1
101.02451	0.5
107.01382	3.4
107.05012	1.1
109.02952	1.4
112.04135	0.3
113.02462	0.3
117.03477	1.4
121.02934	1.2
122.68214	0.2
123.00864	0.4
123.04486	0.6
124.01637	1.1
125.02444	83.2
126.02779	1.3
133.02963	2.1
135.04550	0.6
137.02452	0.7
139.03973	2.0
145.06589	0.3
149.02461	7.2
151.00378	20.4
151.04070	0.4
152.01190	3.7
153.01936	6.6
155.05066	0.3
157.06546	0.6
158.03749	0.4
159.04553	0.5
161.02431	0.3
163.00397	0.5
165.01924	1.6
167.03493	1.4
169.01450	1.3
169.06570	1.2
172.05292	1.5
173.06078	4.2
175.04008	0.5
176.01180	1.6
177.05582	2.9
178.99881	14.4
179.03470	4.0
181.01474	0.4
181.06613	1.1
187.07698	0.4
196.05238	0.5
197.06093	1.7
199.03983	0.7
199.07774	1.0
200.04724	0.4
200.91959	0.3
201.05580	2.9
203.03561	0.3
213.05614	0.5
215.07172	5.5
219.06609	0.5
225.05592	3.9
227.03441	0.4
241.05110	2.1
243.06636	6.0
259.06131	74.5
260.06387	2.3
261.06915	0.4
269.04578	61.6
270.04849	2.0
283.06113	1.2
287.05640	28.4
288.06210	0.4
311.05658	1.5
315.07095	0.4
341.05017	0.4
342.05969	0.5
356.99109	0.3
389.18115	3.0
412.61038	0.3
421.11154	0.5
431.09839	1.8
440.89130	0.3
449.10956	100.0
450.11227	4.9
451.11331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	78.8
64.34822	0.4
71.01382	27.0
72.99270	0.7
73.02940	9.3
75.00875	0.4
81.03436	0.9
83.01392	5.9
85.01772	0.5
85.02950	13.0
86.00083	0.5
86.29890	0.4
87.00867	0.8
89.02441	9.5
95.01367	1.9
97.02956	0.5
99.00883	4.7
99.04515	70.8
101.02439	48.4
101.02992	0.8
101.86321	0.5
104.12798	0.5
113.01720	0.7
113.02454	14.6
119.03474	3.3
125.02435	33.6
143.03490	5.1
159.02995	4.0
159.04112	0.5
161.04558	20.8
176.96889	0.5
233.10297	2.1
251.11380	56.6
293.12479	25.6
294.12656	0.6
333.15598	6.2
333.95370	0.5
351.16711	3.1
395.15616	100.0
396.15945	2.9
404.24750	0.6
443.19296	14.2
529.12433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	90.5
62.61762	1.5
71.01369	19.6
73.02950	6.6
76.37381	1.5
82.86525	1.7
83.05029	2.6
85.02949	8.8
85.76995	1.4
87.00882	3.6
89.02442	8.6
95.01356	1.8
99.00878	22.5
101.02446	8.1
107.05000	6.0
113.02459	11.2
126.65474	1.8
149.04575	3.0
161.09677	16.9
161.13344	7.8
163.11304	4.3
183.88512	1.7
187.11305	16.7
189.09315	3.8
191.05574	3.8
205.12366	6.9
207.10255	3.8
223.13411	22.2
249.11353	10.3
253.05130	2.1
267.12494	8.1
441.88309	2.0
497.26581	2.1
545.26129	19.8
795.38074	100.0
796.38232	8.3
812.06097	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	839.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01119	1.1
59.01389	24.2
64.75275	1.0
69.03459	1.2
71.01385	38.9
72.98985	1.6
72.99310	23.7
73.02944	5.6
75.00871	27.2
81.86994	1.0
83.01350	4.1
85.02469	2.1
85.02947	42.5
87.00883	10.5
89.02428	8.7
92.12429	2.9
95.01382	8.0
97.02927	1.3
99.00885	18.6
101.02465	8.6
103.00362	12.5
113.02447	61.8
115.00388	2.7
117.01951	2.8
125.02415	5.3
129.01961	2.3
131.03484	4.8
133.01422	1.5
157.01450	3.1
163.02502	1.4
175.02422	9.1
193.03549	27.5
193.05167	2.2
235.04625	1.7
269.04596	1.7
289.05768	2.5
351.05737	31.8
408.62595	1.5
487.34399	2.6
839.40796	100.0
840.41254	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	839.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36543	0.7
58.50730	0.5
59.01394	35.6
68.99837	0.8
71.01391	29.1
71.50250	0.7
72.99303	3.0
73.02955	1.1
73.43187	0.7
75.00881	21.4
83.01398	3.4
83.05073	0.9
85.02964	18.3
87.00882	3.4
89.02448	20.5
95.01377	3.9
99.00883	21.3
101.02423	3.7
113.02449	15.4
116.12244	0.8
129.01939	1.0
131.03516	1.3
139.00400	0.8
157.01421	1.6
161.02592	0.7
191.05704	1.0
239.46425	0.8
409.31192	1.2
441.33875	1.4
489.35999	1.4
602.91760	0.7
795.38660	0.9
839.44421	100.0
840.44891	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	841.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58638	0.2
59.01389	100.0
60.01717	0.3
60.92719	0.2
64.63202	0.2
71.01385	18.4
72.99311	0.2
73.02950	6.7
75.00879	0.3
83.01388	3.3
83.76080	0.2
84.88811	0.2
85.02952	10.0
87.00894	0.8
89.02448	4.6
95.01400	1.1
97.23347	0.2
99.00876	2.6
101.01767	0.5
101.02441	14.6
108.02284	0.3
108.26841	0.2
111.00882	0.3
113.02443	8.8
119.03497	1.3
120.05273	0.2
125.02477	0.5
129.01950	0.3
131.03510	0.5
143.03523	0.9
148.07846	0.2
152.01212	0.5
153.44698	0.2
159.02991	2.1
161.04570	7.3
171.13998	0.9
269.04266	0.3
271.06107	0.3
289.16702	0.4
315.18466	0.9
333.19241	14.0
334.19815	0.2
375.20291	16.8
421.20981	3.9
475.12613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.8
70.19085	1.4
71.01375	12.6
72.99310	6.2
75.00869	46.2
78.95885	1.6
80.91702	1.9
83.01431	2.3
85.02950	59.8
87.00876	2.8
95.01385	3.2
97.02972	5.9
99.00887	3.2
108.22729	1.3
113.02465	39.4
116.01158	2.7
125.02431	10.1
154.99640	1.5
157.01439	2.8
241.88765	1.6
242.86487	1.6
257.37704	1.6
306.92130	1.5
332.60211	1.5
388.02182	1.5
759.43341	100.0
760.43518	6.7
781.41553	39.2
782.41699	2.2
841.43915	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	842.556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.3
59.44468	0.3
60.10244	0.3
78.95894	2.8
91.77879	0.3
92.64637	0.3
118.55978	0.3
123.04523	0.4
134.89362	0.3
135.31831	0.3
137.06087	1.3
137.09776	0.4
147.76624	0.3
152.99583	0.5
156.04251	0.7
162.10468	0.4
165.09181	1.4
165.12788	2.2
167.14381	1.2
168.04337	0.5
179.14325	0.4
189.12843	1.3
191.14482	0.3
193.12238	0.4
198.08958	0.3
206.77026	0.3
217.15942	0.6
224.07069	0.4
225.14935	0.5
233.18990	0.3
235.13495	0.3
237.14995	0.5
242.02907	0.3
242.07953	0.7
251.16571	0.4
261.22247	5.8
277.21799	0.3
279.23312	44.8
280.23666	1.3
287.20239	0.7
305.21259	100.0
306.21524	4.7
323.22330	38.6
324.22644	1.3
504.31046	15.3
505.31476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	58.4
68.99789	0.6
69.03445	0.7
71.01382	49.5
72.99306	2.7
73.02622	0.4
73.02950	5.9
75.00858	2.8
77.23432	0.5
78.95895	0.9
81.03425	0.5
83.01391	2.4
83.82256	0.4
85.02951	9.3
87.00874	13.1
89.02441	74.0
95.01361	3.7
96.96926	0.7
97.02937	2.1
99.00883	1.9
101.01770	1.2
101.02438	37.0
111.00931	0.5
113.02444	24.1
119.03484	13.0
125.02435	2.2
128.03529	1.9
131.03479	3.6
131.98395	0.6
141.01903	0.9
143.03494	7.0
149.04561	2.3
161.04559	11.6
170.68950	0.5
179.05615	30.8
221.06670	37.6
222.06998	0.5
281.08774	0.8
309.11078	0.6
323.09857	1.9
341.10901	13.6
503.16266	100.0
504.16864	1.2
830.64044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	2.4
59.01389	56.0
67.20089	1.4
71.01382	44.9
72.99282	2.1
73.02934	3.0
75.30179	1.3
78.95882	7.4
80.48940	1.9
83.01372	2.0
85.02924	6.5
87.00883	12.6
89.02438	67.1
95.01398	2.0
95.69793	1.7
96.95958	5.7
96.96957	1.8
101.02430	30.0
113.02442	26.1
119.03512	14.0
143.03477	6.8
161.04553	6.0
179.05589	24.2
180.76160	1.4
221.06657	34.1
321.29984	1.8
328.37143	1.7
341.11111	12.8
349.19775	1.5
442.22858	1.7
475.75122	1.6
503.16232	100.0
589.55627	1.8
688.36377	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	847.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
62.80415	0.1
64.20625	0.1
65.00327	0.3
70.28723	0.1
71.01385	0.1
77.03375	0.1
80.59593	0.1
81.03452	2.3
83.01374	1.8
85.02963	0.6
95.05013	0.6
99.04485	0.1
107.01393	0.3
119.05024	0.2
121.02985	0.2
123.04512	26.3
123.43440	0.1
124.04839	0.6
125.02429	5.5
149.02426	0.8
151.00339	1.5
153.05583	0.1
163.04001	0.6
167.03491	100.0
168.03835	1.9
185.51811	0.1
191.03531	0.6
209.04512	1.1
269.04556	2.0
271.24338	0.1
277.32297	0.1
338.29855	0.2
371.09879	14.0
372.10117	0.7
407.47604	0.1
415.08331	0.3
444.07394	0.1
503.38162	0.1
547.22534	0.1
593.33411	0.1
703.28180	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.5
60.01720	0.1
62.07114	0.1
63.02402	1.7
63.11786	0.1
65.00326	3.8
67.05526	0.2
83.01391	3.2
85.02984	0.2
88.36205	0.1
89.38943	0.1
92.64719	0.1
93.03458	6.4
93.04057	0.2
107.01389	10.4
108.02191	0.4
108.99300	0.2
117.26806	0.1
119.05020	29.7
120.05346	0.2
121.02947	0.6
123.00843	0.1
124.05257	0.1
125.02452	1.0
131.01337	0.2
136.01640	0.4
137.02425	0.2
145.02954	0.5
149.02429	0.1
151.00371	35.9
152.00745	0.5
161.06067	0.1
164.01129	0.4
165.01909	2.0
169.01430	2.4
175.00372	0.9
177.01930	4.9
179.10777	7.5
180.11057	0.2
185.06075	0.2
193.01399	1.0
193.05095	0.2
197.11777	0.2
223.09735	0.6
227.07181	0.5
236.39384	0.1
241.10791	0.3
253.05040	0.6
269.04535	0.7
270.05048	0.2
271.06140	100.0
272.06528	2.2
283.11841	1.4
295.06125	0.2
313.07285	1.3
475.12482	4.4
557.04041	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	41.9
67.01889	0.2
69.03458	0.8
71.01387	12.3
72.99300	0.4
73.02952	3.4
81.03451	0.3
83.01389	1.8
85.02956	6.2
87.00871	2.3
89.02443	6.0
95.01364	1.0
96.96004	0.4
97.02966	0.4
99.00868	1.2
99.04527	0.3
101.02433	9.2
107.05000	0.5
109.06583	1.0
113.02445	5.1
119.03511	2.9
119.05003	0.5
121.02923	0.4
121.06590	2.7
123.03734	0.2
123.04527	1.9
124.04824	0.2
125.02430	0.5
129.01903	0.3
131.03490	2.2
143.03473	0.3
143.08722	0.3
145.06575	2.9
151.00320	0.9
153.05586	2.9
154.05911	0.3
159.02992	1.1
160.46582	0.3
161.04555	3.8
161.09683	2.4
163.07654	3.9
179.10774	2.6
181.08768	0.2
195.80266	0.2
197.04617	0.5
197.11870	0.3
221.06647	1.0
241.10861	1.0
331.06619	0.5
340.56818	0.2
357.12192	0.3
387.91269	0.2
403.16113	100.0
404.16501	2.4
443.19284	3.0
451.22058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00461	1.0
64.98640	1.1
78.95897	51.9
96.96977	8.9
97.52527	1.2
133.27119	1.2
152.99576	15.1
171.10265	4.8
183.13913	2.2
184.44569	1.2
190.73973	1.3
211.13419	1.7
216.88031	1.1
223.00224	4.8
235.17091	6.8
241.01192	26.7
255.23309	50.0
256.23846	2.3
263.56369	1.2
275.20203	13.6
279.23410	8.5
293.21332	10.4
320.48425	1.2
363.74768	1.4
391.22992	1.5
405.54846	1.3
532.91852	1.4
553.28406	2.1
638.53522	1.7
748.13629	1.4
773.51550	2.2
798.52814	2.9
847.49823	100.0
848.50458	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	849.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01118	0.5
59.01387	11.9
71.01387	6.9
73.02934	3.3
83.05012	0.7
85.02942	2.2
86.81255	0.5
89.02435	5.6
90.19153	0.5
92.77839	0.5
95.01378	0.6
97.02935	1.2
99.00877	7.9
101.02438	3.7
109.02926	1.2
109.06562	1.1
111.04533	0.8
111.08044	0.6
113.02416	4.4
119.03543	0.6
119.08607	1.1
121.06556	1.2
123.04547	0.6
123.08157	1.1
125.06056	2.8
131.03435	0.8
135.08112	0.9
136.05275	5.8
137.09705	1.0
138.06845	2.2
139.07658	4.9
148.05309	1.2
149.04602	1.0
149.06042	0.5
149.25577	0.6
151.07660	7.1
152.08458	7.3
153.09210	10.4
159.11789	0.9
161.04549	1.0
161.09723	3.0
162.11122	0.6
163.07603	2.1
185.09686	3.0
186.10506	1.1
189.09175	3.2
201.12856	21.1
203.10791	14.3
204.11568	51.0
205.12318	9.7
219.13918	60.0
220.14258	2.1
223.13254	0.9
263.12885	100.0
264.13187	4.0
367.17621	0.9
427.19720	0.7
499.21823	2.4
517.23022	3.4
541.22919	1.2
559.24054	42.5
560.24152	2.4
763.35736	1.0
805.36737	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	849.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05982	0.7
74.34341	0.7
75.92195	0.7
77.91444	0.6
78.95909	57.1
85.47224	0.7
96.96957	15.0
116.92856	1.1
152.99605	24.0
171.10275	4.2
195.13893	12.0
205.81905	0.8
209.15530	1.0
223.00131	7.1
241.01213	32.7
255.23305	58.7
256.23639	4.7
259.02206	3.2
271.22726	5.6
277.21722	19.2
279.23233	5.6
281.24930	0.8
295.22803	29.8
296.23297	1.1
297.03806	1.2
315.05069	1.6
323.16690	0.8
391.22473	3.1
553.27960	1.6
821.87439	0.9
849.51379	100.0
850.51648	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	849.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76233	1.2
61.98835	2.3
65.97904	1.5
78.95479	2.6
78.95908	54.0
92.92796	2.2
96.96968	12.3
96.97481	1.5
116.92841	7.4
152.99622	21.3
171.10239	9.8
195.13832	6.5
223.00136	3.2
227.60197	1.6
235.85707	1.7
241.01250	30.7
255.23311	54.5
256.23605	3.2
259.02213	2.0
277.21796	16.3
279.23291	10.0
295.22806	24.2
296.22925	1.8
391.22913	2.4
540.98969	1.6
625.68683	1.7
717.68054	1.8
759.99390	1.8
849.51355	100.0
850.51471	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	849.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	5.9
71.01391	9.8
72.99329	2.5
75.00880	10.9
78.95905	3.3
83.05025	7.8
85.02945	15.2
87.00891	2.6
87.04472	1.4
89.02408	1.8
95.01387	1.7
99.00906	10.9
101.06087	1.5
113.02440	10.8
117.01923	2.4
117.71761	1.4
153.09248	1.5
171.10263	18.8
183.69695	1.4
185.11732	1.9
226.54143	1.4
255.23325	49.3
273.17059	1.6
274.46890	1.4
279.23810	1.7
361.22531	5.4
369.58240	1.8
373.90564	1.7
376.36813	1.7
517.54480	1.5
598.75934	1.6
849.52325	100.0
850.52435	9.8
871.39880	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	851.371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	9.4
70.58714	0.2
71.01037	0.3
71.01385	4.7
72.99291	0.2
73.02950	2.6
80.02659	0.2
80.59019	0.2
81.03455	0.2
83.01383	0.3
83.05019	0.9
85.02938	2.2
89.02438	3.2
95.01379	0.4
95.05027	0.2
97.02927	1.2
99.00854	2.4
101.02438	2.9
108.05823	0.2
109.02943	1.3
109.06576	1.3
111.04517	1.6
111.78071	0.2
113.02435	3.1
113.06080	0.4
119.03474	0.8
119.08652	1.3
119.12119	0.2
120.05807	0.3
121.06577	0.7
122.03742	0.4
123.04544	0.2
123.08131	3.2
125.02413	0.3
125.06071	3.3
131.03497	0.4
135.08156	1.2
136.05289	4.9
137.06076	0.3
137.09732	1.7
138.06865	1.4
139.07637	2.6
143.03459	0.2
147.08124	0.3
148.05286	1.3
149.04587	0.2
149.06097	0.8
151.07660	6.3
152.04787	0.9
152.08432	4.0
153.09181	1.4
159.11795	0.9
161.04625	1.6
161.09669	1.9
162.87549	0.2
163.07646	2.1
163.11270	2.3
164.08418	0.2
170.05827	0.9
171.08258	0.5
175.07686	0.9
177.12874	0.3
179.05664	0.2
183.11839	0.4
185.09741	3.3
186.10449	2.0
188.08430	0.8
189.09264	3.2
189.12849	4.4
191.05621	0.9
201.12868	21.6
202.13214	0.8
203.10789	11.3
204.11560	47.7
205.11906	1.2
207.13908	5.2
219.13907	58.2
220.14255	1.4
225.14969	1.0
236.10550	0.2
245.11853	0.9
263.12878	100.0
264.13193	2.3
457.17831	0.2
501.23523	0.9
519.24469	4.4
543.23822	0.3
561.25568	39.1
562.25854	1.3
765.36847	0.4
807.38196	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	853.314
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02655	0.2
71.01386	4.5
72.99292	1.5
73.02599	0.2
73.02952	3.3
75.00861	0.5
83.01373	0.4
85.02957	1.8
87.00841	0.3
89.02437	2.7
96.91595	0.2
99.00911	0.2
101.02454	2.0
108.02138	0.3
111.00848	0.2
113.02452	1.7
119.03500	0.4
125.02409	0.2
125.70222	0.2
129.38553	0.2
137.06050	0.2
145.10242	0.7
147.08200	0.2
147.69759	0.2
155.08661	1.8
156.96289	0.2
161.09721	0.3
167.03542	0.2
171.08144	1.6
173.09714	0.2
179.10742	1.0
181.10179	0.2
183.11797	10.2
185.09810	0.2
185.13406	0.4
197.09666	0.4
199.07700	0.2
199.11307	1.0
201.12895	1.5
203.07292	0.2
209.09807	0.4
211.11340	1.1
211.14954	3.7
213.13051	0.2
213.16512	3.1
223.11189	0.2
224.12149	0.8
225.12708	0.2
225.24675	0.2
227.10811	7.8
227.14249	1.4
229.15979	8.8
231.17563	1.4
237.12801	0.4
239.14438	18.4
240.14772	0.2
243.06665	0.8
245.11855	1.2
253.16100	0.3
255.13998	0.9
257.15491	18.1
258.15759	0.3
259.16995	0.4
268.03836	0.2
269.15637	0.3
271.09790	6.9
271.12970	0.3
271.16986	0.7
273.14981	0.4
275.16568	5.5
276.16666	0.2
281.15479	0.4
283.13477	4.8
287.16626	0.3
289.10983	0.3
289.14218	0.2
299.12982	0.3
299.16302	0.6
301.14478	10.2
315.20920	0.2
317.14056	0.3
319.15558	1.9
327.12460	3.6
345.13458	11.0
346.13654	0.3
363.14551	25.3
364.14850	0.4
387.14523	0.9
391.05869	0.2
405.15598	4.0
437.22110	0.4
439.29486	0.2
465.17172	0.2
481.20862	1.0
507.18716	1.4
525.19836	100.0
526.20251	4.4
574.07465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.5
78.95898	19.3
86.40555	1.3
105.36625	1.5
107.00146	1.6
159.48518	1.3
168.04329	3.4
169.87180	1.7
171.10229	9.1
224.06842	2.0
235.17079	2.4
275.20126	9.4
275.22833	1.6
277.21719	21.8
279.23315	100.0
279.26428	3.2
280.23563	2.9
293.21274	10.6
295.22839	15.3
780.52014	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.211
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50674	0.3
68.26916	0.3
68.99803	0.5
70.01807	0.3
71.01377	2.0
72.99306	0.7
73.02952	1.3
75.97231	0.3
80.56689	0.3
83.01379	5.2
84.02172	1.9
85.02951	100.0
86.03291	0.6
87.00878	0.8
89.00345	0.5
89.03967	0.4
96.95991	0.5
99.00861	0.5
101.02453	2.0
103.00345	0.4
106.00610	0.3
107.05113	0.3
111.00884	10.7
117.03440	1.5
121.02959	8.5
123.00897	1.3
123.04546	0.5
124.01626	0.3
129.01935	38.6
129.72678	0.3
133.06906	0.4
134.03738	22.1
137.02405	1.2
138.03241	2.2
139.00377	2.0
139.04018	0.6
145.01419	0.4
147.02994	8.6
149.02530	0.5
149.06133	2.5
153.05585	7.9
160.01669	2.4
160.05212	0.6
163.39095	0.3
164.04861	0.7
166.99860	1.4
167.03514	2.1
173.00923	9.8
175.04019	3.0
175.07739	0.6
177.05598	0.4
178.02777	1.4
182.02205	3.6
191.01987	6.8
191.03519	0.6
193.05080	18.0
194.05489	0.3
197.04576	15.4
197.06277	0.6
198.04845	0.3
209.03076	1.2
222.05322	0.5
223.06189	0.7
237.07695	0.5
247.05832	0.3
261.07800	1.5
265.07224	3.6
323.07739	1.3
327.07303	6.1
328.07495	0.4
329.14087	3.4
341.05362	0.4
367.06885	8.0
371.06219	8.0
385.07809	4.1
389.07379	4.2
400.60645	0.4
565.11932	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	855.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48203	0.3
65.34206	0.3
67.52278	0.2
79.95734	1.0
80.89460	0.3
85.02955	0.5
91.04022	0.3
96.96001	89.5
97.06564	0.5
99.04510	0.4
100.75983	0.3
105.79753	0.3
114.20413	0.3
119.05009	0.3
135.08142	0.5
139.79309	0.3
146.48845	0.3
147.08144	1.8
165.09210	0.7
176.94362	0.3
209.55806	0.3
225.11339	32.2
226.11703	1.2
254.11064	0.3
305.07034	100.0
306.07501	2.1
314.01349	0.3
334.78256	0.3
567.79425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86543	0.3
67.05523	0.4
69.03459	0.5
70.02979	0.6
71.01375	11.5
71.05006	0.6
72.99309	0.6
73.02935	2.2
74.02462	5.3
83.01369	0.8
83.05022	0.8
85.02943	14.8
85.04056	0.4
87.00871	8.9
89.02432	11.7
96.96005	0.4
97.02935	2.3
98.02447	1.8
99.04516	3.4
101.02433	7.0
109.06573	0.9
111.00874	2.0
111.04580	0.5
113.02443	6.7
114.05505	0.4
116.03489	0.9
116.05050	2.0
119.03474	2.9
119.08625	2.5
121.02930	1.5
121.06580	1.7
125.02496	0.5
125.06049	0.8
129.01909	3.3
131.03482	0.6
133.10220	1.9
134.03712	2.3
135.08165	3.4
135.11803	0.9
137.06032	0.5
137.09703	16.3
142.06604	0.6
147.02933	0.4
149.06111	0.5
149.09785	0.4
150.03273	0.5
151.11267	0.4
153.05571	0.9
153.09236	0.7
155.76416	0.4
159.04489	0.8
159.08093	0.4
159.09293	0.6
159.11819	2.8
160.05284	3.7
161.06044	0.7
161.09709	6.3
163.03925	0.4
163.07648	6.7
164.04788	0.5
167.03455	0.5
173.00841	0.7
175.04022	0.4
175.07661	3.5
177.05614	0.9
177.09138	0.8
177.12842	0.6
178.06270	0.7
179.05608	0.7
179.10789	7.9
181.08696	16.0
191.02039	0.6
193.05043	2.1
193.12299	0.8
195.10240	1.6
197.04588	1.7
197.11826	63.9
198.12204	2.0
201.10306	0.5
203.08241	4.9
205.08707	1.6
221.11787	2.3
223.09747	14.0
239.12952	0.5
241.10811	53.4
242.11156	1.6
245.09326	3.0
255.03157	0.4
265.10822	2.0
283.11865	31.7
313.12839	3.4
329.13956	10.7
330.14481	0.8
341.11169	0.8
343.09787	0.7
343.13974	20.7
344.14206	0.6
359.14960	1.8
371.06207	0.8
403.16113	59.2
404.16644	3.3
565.21417	100.0
566.21979	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	855.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	11.6
71.05001	0.8
72.99321	0.9
73.02952	5.3
83.01369	1.0
83.05019	1.4
85.02944	5.9
87.00878	5.7
89.02425	6.3
90.05306	0.6
90.06760	0.6
91.88457	0.6
95.01369	0.9
95.21188	0.8
97.06594	0.8
99.00896	8.1
101.02439	7.7
107.05016	4.2
112.01690	0.9
113.02454	7.3
119.03493	1.1
120.05794	3.1
123.08163	5.0
125.02441	1.1
125.06066	0.7
135.04529	1.3
137.09735	1.2
143.03481	0.7
152.04797	1.1
159.08217	1.2
161.04521	3.6
161.09734	12.2
161.13341	9.4
163.11310	12.9
187.11299	14.6
188.11714	0.7
189.09251	5.2
189.12831	7.7
191.05551	0.7
203.10831	1.0
205.12349	12.8
207.10316	5.8
207.13905	12.6
223.13419	20.9
224.13670	1.0
225.14865	0.9
231.10385	0.6
249.11371	10.1
267.12408	7.7
324.39536	0.6
368.38901	0.8
401.89081	0.7
501.23508	3.2
519.24457	9.9
520.24329	0.8
561.25629	23.1
562.26007	1.0
579.21381	0.7
751.34692	0.8
769.37042	0.8
776.22827	0.7
793.37726	0.9
811.37677	100.0
812.38275	9.7
855.34955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
67.31857	1.4
70.03250	1.3
71.46143	1.2
72.63277	1.3
78.95912	70.0
92.11784	1.8
96.96947	19.8
119.32488	1.4
152.99602	23.0
210.53802	1.5
212.45552	1.7
223.00189	7.1
241.01251	26.2
277.21753	49.0
279.20416	3.0
279.23331	65.1
315.04749	1.9
396.39584	1.8
413.20645	1.9
415.22714	2.6
508.29926	1.9
575.25433	2.0
855.50305	100.0
856.50739	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	856.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	22.0
62.03076	1.0
70.18032	1.1
71.01378	17.9
75.00870	11.5
83.01372	1.5
85.02943	13.5
87.00871	2.6
89.02435	10.5
95.01370	4.8
99.00851	12.4
101.02416	11.3
113.02438	10.9
119.03478	1.8
139.00359	1.4
306.66827	1.4
407.33133	1.6
435.32672	1.3
480.47934	1.2
771.36865	1.3
793.43848	100.0
794.43915	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	856.572
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60122	0.7
78.95904	16.4
85.30260	0.9
104.13926	0.8
104.51219	1.0
128.80453	0.9
168.04295	5.5
171.10277	5.1
183.13864	1.1
195.13881	5.7
224.06953	2.1
277.21741	12.2
279.23312	100.0
280.23557	2.0
295.22809	30.4
432.12775	1.0
498.51364	0.9
561.73224	1.0
574.67047	1.1
682.68274	1.1
711.45215	1.6
782.53510	69.9
783.53668	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	857.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12360	0.1
71.01367	0.9
73.02923	0.8
78.37056	0.1
83.01326	0.1
85.02931	0.3
87.00819	0.2
89.02409	0.5
91.01866	0.3
93.14845	0.1
99.00854	0.3
101.02406	1.0
113.02425	0.3
116.33310	0.1
125.02406	0.2
128.03445	0.2
133.02943	0.6
134.59270	0.1
135.00893	0.5
153.02003	0.1
161.04582	0.2
161.09692	0.2
169.06517	0.2
180.05777	0.2
181.06555	0.2
187.11375	0.2
196.05284	0.2
197.06096	0.8
208.05194	0.9
209.06113	1.5
223.04161	0.2
223.13405	0.2
224.04871	1.7
225.05592	1.1
252.04362	0.3
253.05072	100.0
254.05408	2.5
283.99304	0.1
373.18863	0.2
391.20789	0.1
407.21652	0.2
415.19775	2.2
457.20767	0.3
812.37817	0.2
813.39197	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.5189
Annotation	1-18:2-2-18:2-phosphatidylinositol
Peak:m/z	Relative Intensity
61.98840	1.2
62.67513	0.7
67.52439	0.7
75.00325	0.8
78.95901	51.6
96.96967	15.2
97.06573	0.8
143.13190	0.9
152.99591	20.7
223.00217	6.1
234.03343	0.9
241.01204	30.6
241.39919	1.0
243.01294	0.9
259.02246	2.0
277.21664	4.2
278.22275	1.0
279.23294	100.0
280.23682	6.8
281.24786	3.6
297.03900	2.1
333.43954	0.9
415.22644	5.2
550.02380	1.0
577.28021	4.5
857.51898	98.3
858.52319	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	858.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	28.7
71.01385	17.7
72.99301	1.4
73.02899	1.3
75.00869	12.0
85.02955	10.8
87.00868	1.3
88.06882	1.0
89.02452	12.3
94.20563	1.0
95.01395	2.3
95.85429	1.0
96.08121	1.0
99.00871	14.3
101.02432	14.9
103.31866	1.0
103.66203	1.1
113.02438	10.7
119.03493	2.4
157.01465	1.5
193.83484	1.0
345.66415	1.2
422.94958	1.1
484.04657	1.1
795.45459	100.0
796.45575	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	859.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	10.7
72.99304	1.8
75.00864	10.5
76.57586	1.2
78.95898	3.4
83.20679	0.9
85.02956	10.8
87.00883	3.3
89.02466	1.7
95.01389	4.1
99.00890	7.1
113.02450	10.9
121.90633	0.8
135.51709	0.8
160.99757	1.0
171.10291	3.3
175.02502	0.9
175.41330	0.9
188.23848	0.9
209.11884	1.0
211.13475	2.0
218.57097	1.1
225.00046	0.9
229.14429	7.8
268.66751	0.9
283.26456	64.6
284.26801	1.3
325.20148	1.6
343.21335	10.2
383.42447	0.9
658.31537	1.0
677.42554	1.0
859.54395	100.0
860.55164	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	865.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02387	0.5
65.00300	0.5
68.99821	0.1
71.01040	0.0
71.01401	0.7
72.99348	0.0
73.02639	0.0
73.02959	0.6
73.15480	0.0
74.08526	0.0
83.01386	0.4
85.02937	0.3
89.00319	0.2
89.02441	0.4
91.01891	0.3
101.02448	0.7
107.01379	0.7
111.00884	0.1
113.02428	0.3
117.03430	0.1
119.04958	0.1
123.04514	0.2
127.03988	0.0
132.02159	0.2
133.02951	2.1
135.00893	0.3
135.04535	0.4
149.04601	0.1
151.00354	0.3
153.01909	0.1
155.05032	0.1
156.05930	0.0
157.02942	0.3
157.06580	0.2
159.04523	0.9
161.02448	0.1
161.04536	0.2
165.01955	0.1
167.03497	0.1
169.06604	0.5
171.04539	0.2
173.06071	0.1
176.01056	0.1
180.05774	0.4
181.06606	1.1
182.03748	0.1
183.04495	0.8
185.06094	0.0
195.04590	0.1
196.05307	0.3
197.06151	0.6
199.04066	0.3
201.05589	1.2
211.04022	0.1
213.05653	0.4
223.04053	0.1
224.04793	1.0
225.05630	1.0
227.03615	0.3
239.03476	0.1
240.04326	0.3
241.05127	0.4
253.05148	0.2
255.06523	0.1
267.02982	0.1
268.03824	1.7
269.04572	100.0
270.04904	2.6
283.06195	0.1
291.06726	0.2
296.97504	0.0
311.05643	0.4
335.05521	0.3
413.08780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4602
Annotation	Kabiramide K
Peak:m/z	Relative Intensity
63.00637	0.8
68.99824	8.0
71.01392	22.7
72.99331	0.7
73.02949	4.0
75.00881	16.5
84.14657	0.8
85.02956	11.9
87.00882	2.1
89.02448	14.8
92.11765	1.3
95.01405	2.0
99.00878	38.0
101.02441	3.3
112.01627	0.9
113.02448	12.3
113.03161	1.1
116.95891	0.8
131.03447	1.3
135.50624	1.0
157.01407	1.9
304.15106	1.0
336.48035	0.9
387.50040	1.0
431.38217	1.1
454.18375	0.9
505.00122	1.0
607.59448	0.9
716.75006	1.0
831.83405	1.0
865.46021	100.0
866.45959	10.2
870.03125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
66.51453	0.3
69.88111	0.2
78.95903	49.8
83.05023	0.3
96.96955	13.5
99.08162	0.3
113.09698	1.7
116.92841	0.3
121.10181	0.4
123.08186	0.4
127.11259	0.4
134.98572	0.5
137.09692	0.5
139.11282	5.8
152.99580	15.7
155.10753	0.6
167.10747	0.4
171.10255	15.2
181.12273	0.4
183.10226	1.2
183.13884	0.3
185.11896	1.4
193.12326	0.3
197.11832	2.1
199.13417	0.7
201.11391	1.4
211.13409	4.6
223.00146	5.9
241.01183	30.3
249.22285	0.6
255.23294	50.3
256.23627	2.0
259.02206	2.6
275.20212	1.3
277.21613	0.6
293.21219	10.6
294.21671	0.4
297.03857	1.7
309.20657	0.5
311.22275	14.3
312.22604	0.5
315.04871	0.7
391.22360	2.1
447.21130	0.4
553.28156	2.3
571.29224	0.6
583.44189	0.3
609.26935	0.5
741.83954	0.4
865.50842	100.0
866.51093	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	866.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90089	0.6
72.50736	0.7
78.95902	30.6
79.65321	0.7
79.86723	0.7
83.05064	0.8
86.49940	0.8
88.39725	0.8
96.96947	1.1
99.08142	5.0
113.09626	0.8
125.00054	1.5
125.09711	1.0
127.11267	3.3
139.11310	6.3
152.99614	9.4
168.04335	5.7
171.10283	28.9
183.13913	1.4
193.12323	1.9
209.11827	1.2
211.13417	17.1
219.53563	0.8
224.06992	3.9
225.15012	1.2
229.14493	12.6
241.01225	1.1
255.23329	74.9
256.23624	1.4
279.23349	3.6
293.21320	3.2
311.22452	1.5
329.19672	1.3
329.23401	32.4
329.27280	1.1
343.24994	3.6
721.46777	24.5
792.54095	100.0
793.54364	5.1
806.54962	5.2
866.51184	7.3
867.48602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03697	0.3
65.00365	0.3
67.01894	2.0
68.99806	0.5
71.01373	2.3
71.05035	0.7
72.99297	0.8
73.02945	0.5
81.03460	7.3
83.01385	10.0
84.02166	1.8
85.02951	100.0
86.03291	0.5
87.00867	0.3
91.01891	3.5
92.11716	1.8
93.03493	0.4
95.01372	0.5
97.02962	0.7
99.04518	10.2
101.02441	0.6
108.02171	8.7
109.02956	2.1
111.00883	23.4
117.03467	2.7
121.02979	0.7
123.00910	3.6
123.04529	20.9
124.01687	2.7
124.04921	0.4
125.02423	2.2
127.04012	24.0
129.01944	22.5
133.02928	0.5
134.03738	36.3
136.01704	0.8
137.02461	1.8
139.04002	0.4
147.03003	5.6
147.04613	0.3
149.06100	5.1
151.04073	0.6
152.01166	8.0
154.99948	0.7
160.01657	5.0
164.04828	0.5
166.02742	2.7
167.03496	39.7
171.03000	9.8
173.00966	0.6
174.03201	0.8
175.03993	8.7
176.04654	0.4
178.02711	7.1
179.03175	0.4
189.04068	1.7
189.05530	1.1
191.01981	1.4
191.07292	0.5
192.04297	5.9
193.05064	52.1
194.05367	0.8
194.57890	0.3
202.02768	0.8
207.06621	6.7
215.02032	4.3
217.08937	0.3
220.03783	1.4
233.03044	2.2
235.06120	19.2
261.07712	4.0
279.05127	5.0
284.03192	0.4
297.06067	2.9
323.04141	2.1
339.07260	4.2
341.05264	2.6
365.08829	1.9
367.06842	0.5
383.06433	3.0
401.07217	2.6
409.07642	2.6
427.08969	2.2
473.11139	0.5
517.09906	2.8
521.86932	0.4
577.12476	0.6
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
71.01382	41.4
72.99311	2.9
73.02946	7.4
83.01369	2.3
85.02928	12.9
87.00877	7.9
89.02429	41.4
95.01356	2.9
99.00880	2.6
101.02427	27.8
113.02422	26.0
113.09722	5.7
119.03484	13.8
124.01640	1.2
129.01843	1.3
138.21497	1.2
143.03436	2.2
149.04549	2.1
161.04550	6.1
179.05592	18.8
179.14378	1.3
180.08478	1.2
195.13812	1.5
200.36560	1.2
277.21829	11.4
279.23260	8.5
295.22778	77.7
296.23196	2.1
323.09894	16.6
341.10892	100.0
342.11508	1.4
383.11978	13.0
439.27219	17.4
457.28067	54.9
458.28217	1.6
481.27847	2.8
499.29211	24.4
763.37738	5.2
781.38971	7.0
823.39264	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	867.4751
Annotation	Dioscin
Peak:m/z	Relative Intensity
63.66324	0.2
68.99824	1.8
71.01386	21.8
72.99299	2.0
73.02946	0.9
75.00875	14.8
83.01391	2.7
85.02954	15.0
85.03469	0.5
86.00108	0.4
87.00876	3.0
89.02444	14.3
90.02831	0.2
92.64872	0.3
93.80377	0.2
95.01392	3.6
99.00882	19.3
101.02451	4.7
112.01652	1.1
113.02450	12.5
115.00375	0.6
129.01965	0.3
131.03500	2.5
139.00375	0.4
152.50952	0.3
157.01425	1.7
219.87299	0.2
256.15933	0.3
391.30005	0.4
407.33710	0.5
597.33441	0.3
717.42267	1.4
791.45795	1.6
867.47583	100.0
868.47864	5.8
882.01221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95731	1.4
96.96008	85.5
97.06572	0.8
135.08211	1.0
147.08125	1.5
151.11160	0.2
163.11380	0.2
165.09198	0.9
181.12303	0.2
207.10344	0.2
225.11345	32.0
226.11676	0.6
277.56949	0.1
305.07028	100.0
306.07376	2.1
604.25897	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
67.75378	0.2
68.99822	2.1
69.03458	0.4
71.01389	24.4
72.99313	2.8
73.02937	1.8
75.00878	15.9
83.01399	2.7
83.05019	0.4
84.02149	0.2
85.02957	16.8
86.00110	1.0
87.00887	4.8
89.02449	18.9
94.20228	0.2
95.01401	5.9
97.02969	0.3
99.00883	17.7
99.04501	0.3
101.02443	18.0
111.00877	0.5
112.01658	1.4
113.02452	17.3
115.00342	1.0
119.03493	4.1
129.01930	0.5
131.03471	1.1
139.00349	1.4
143.03484	0.3
150.51050	0.2
157.01436	2.6
161.04529	2.0
266.92743	0.3
269.04553	3.6
307.33105	0.3
363.38458	0.2
366.30490	0.2
409.31268	1.2
441.33765	1.4
489.36575	0.3
869.45496	100.0
870.45795	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	870.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	1.6
62.25049	1.7
62.47379	1.5
71.32922	1.6
73.71082	1.8
76.57732	1.4
77.77103	1.6
78.95908	33.6
79.45738	1.6
81.43172	1.5
82.07808	1.6
88.00394	2.3
88.98781	2.5
89.02434	7.9
92.12328	2.1
96.08612	1.6
96.96986	2.4
99.08128	2.0
127.03533	1.7
129.52583	1.9
152.99594	6.2
166.96146	1.6
168.04341	3.7
171.10327	9.9
195.13947	3.0
211.13361	1.9
213.73401	1.7
224.07028	2.5
241.01082	5.7
271.78012	1.8
275.20264	1.9
277.21698	46.6
279.23291	59.5
280.23779	2.1
291.19489	2.7
293.21246	12.9
295.22665	7.2
309.20789	6.2
311.22211	16.0
408.68414	2.2
514.38971	1.9
796.51404	100.0
797.51367	2.2
870.48810	6.6
871.49475	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	872.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	0.3
71.01390	2.4
72.99303	1.1
73.02911	0.4
83.00925	0.3
83.01395	5.4
84.02171	2.1
85.02953	100.0
86.03273	0.5
87.00874	0.9
89.00347	0.3
89.03964	0.3
91.01903	0.2
99.00873	0.4
101.02447	0.3
103.00370	0.8
110.15305	0.2
111.00883	11.0
112.51402	0.2
117.03468	1.9
121.02949	7.3
123.00883	0.9
123.04514	0.4
125.02467	0.3
127.00409	0.3
129.01941	38.8
130.02228	0.3
131.09836	0.2
133.06938	5.0
134.03745	20.2
137.02458	1.0
138.03239	1.3
139.00385	1.4
139.03993	1.0
145.01434	0.3
147.03001	8.7
149.02431	1.2
149.06094	1.8
152.01102	0.4
153.05582	6.1
154.99960	0.2
160.01682	1.4
164.04762	0.8
166.02711	0.2
166.99901	0.4
167.03551	1.6
173.00906	11.5
175.04008	2.5
178.02718	1.3
182.02232	3.1
191.01981	6.2
193.05066	16.5
194.05673	0.4
196.03821	0.5
197.02728	0.5
197.04564	14.7
198.04932	0.4
205.04817	0.3
207.02797	0.2
207.06761	0.2
209.03041	1.6
222.05409	0.5
223.06149	1.1
235.06142	0.3
237.07758	0.8
250.04959	0.2
253.05066	0.4
261.07800	1.2
262.11148	1.5
265.07205	3.3
279.04791	0.2
297.06216	0.4
322.16272	0.2
323.07645	2.2
327.07288	8.0
341.05353	0.9
353.05286	0.3
367.06747	10.0
368.07126	0.2
371.06213	9.2
385.07748	3.1
389.07269	4.2
397.07706	1.0
415.09113	0.3
485.20139	0.2
522.77130	0.2
565.12073	7.4
905.52838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5658
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	7.2
76.86764	1.1
78.95898	23.9
85.08854	1.1
113.09744	1.5
123.55193	1.3
123.89926	1.3
152.99573	2.6
168.04321	5.6
171.10283	35.2
195.13939	5.7
224.07001	2.3
265.38727	1.4
277.21735	48.7
278.22049	2.0
279.23233	5.9
286.70273	1.4
293.21005	1.9
295.22824	64.3
296.22916	1.3
311.22400	2.8
326.24045	1.2
402.38763	1.6
425.40192	1.3
549.48718	1.4
603.49579	1.2
727.45508	5.3
777.92871	1.5
798.52972	100.0
799.53113	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	872.5666
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23370	0.4
61.98841	0.7
63.64267	0.4
67.45692	0.5
78.95902	19.5
83.05009	0.5
85.39229	0.5
87.12418	0.5
95.98349	0.5
96.37973	0.5
99.08081	0.6
113.09724	2.0
116.92886	1.1
127.24763	0.5
152.99574	4.0
165.00043	0.5
168.04341	6.9
171.10291	0.6
177.12810	0.6
179.14429	0.9
195.13914	34.8
196.14206	0.6
224.06967	2.8
259.20813	0.7
277.21738	30.8
278.21982	0.8
279.23331	2.4
281.64697	0.5
295.22809	100.0
296.23257	3.9
297.88190	0.5
302.08737	0.6
520.30701	1.1
727.45654	5.6
798.53058	85.0
799.53082	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	872.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98847	1.3
62.83218	0.8
67.51199	0.8
78.95914	22.7
92.12341	1.8
96.96013	1.0
113.09765	1.5
145.66791	0.9
152.99594	4.8
168.04308	7.6
168.68669	1.0
171.10287	17.8
181.12378	1.1
195.13927	25.3
224.07181	3.2
266.68188	0.9
277.21741	43.0
278.22235	1.6
279.23285	5.9
295.22809	94.3
296.23187	4.8
362.44736	1.0
378.67084	0.9
506.66528	1.0
559.91577	1.1
727.45459	5.7
798.53027	100.0
799.53693	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	873.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01917	0.3
68.99831	0.3
71.01394	1.7
72.99320	0.8
73.02974	0.3
75.00885	0.4
76.56614	0.2
83.01392	4.7
83.01842	0.3
84.02188	1.8
85.02960	100.0
85.86442	0.2
86.03290	0.4
87.00880	0.8
89.04003	0.4
91.01895	0.3
101.02463	1.3
103.00395	0.4
106.00613	0.3
111.00883	10.9
114.37710	0.2
117.03487	1.7
121.02064	0.3
121.02956	8.3
123.00879	0.9
123.04526	0.7
129.01941	38.1
130.02293	0.4
134.03738	22.0
136.98833	0.3
137.02451	0.9
138.03198	1.7
139.00366	1.7
139.03999	1.1
145.01422	0.3
147.03004	9.3
147.04243	0.3
149.02477	1.6
149.06097	2.4
152.01111	0.2
153.05588	7.4
154.99867	0.2
160.01689	1.5
164.04774	1.7
166.99887	1.1
167.03474	1.9
173.00903	11.5
174.01260	0.3
175.03996	3.2
176.56218	0.2
177.05594	0.2
178.02765	1.7
178.04181	0.2
182.02196	3.1
189.67168	0.2
191.01974	5.2
191.03542	0.5
193.05063	16.1
194.05446	0.3
196.03775	0.4
197.04579	14.1
207.06700	0.4
209.02979	1.6
211.06004	0.3
222.05412	0.4
223.06035	1.6
233.08284	0.2
235.06052	0.3
237.07652	0.9
261.07678	1.2
265.07166	3.5
278.90686	0.2
289.03497	0.2
297.06094	1.2
309.06210	0.8
323.07837	1.9
327.07275	6.9
328.07318	0.2
341.05145	0.8
353.05161	0.2
359.06427	0.3
367.06711	8.8
371.06259	6.8
385.07870	3.0
389.07303	3.7
397.07779	0.9
565.11993	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	873.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
64.77018	0.2
67.05543	4.0
67.82136	0.2
68.99818	0.2
69.03443	0.6
71.01381	4.4
71.02019	0.2
71.05014	0.2
72.99303	1.2
73.02956	2.5
83.01377	1.0
85.02961	3.3
89.02428	1.4
93.03439	0.5
95.01362	0.4
95.04978	0.2
97.02946	3.2
99.00883	2.7
99.04512	3.3
101.02437	6.6
103.00343	0.3
108.02184	1.1
109.06603	0.2
111.00882	0.3
113.02440	4.4
115.80680	0.2
123.04500	0.6
124.05289	3.2
125.02435	15.4
133.10222	3.1
135.11794	14.4
137.02420	1.0
137.09729	1.7
139.04041	0.4
143.03429	0.4
152.01140	2.0
161.04561	2.7
161.09766	2.4
163.07588	0.3
167.03508	2.8
171.79239	0.3
179.10782	100.0
180.11087	1.7
181.08754	2.6
197.11850	1.2
203.05743	0.3
223.09778	10.0
234.12448	0.3
240.30608	0.2
241.10783	0.3
257.29071	0.3
269.04422	0.3
283.11914	0.3
312.43973	0.3
401.10934	6.6
419.11969	5.1
435.13324	0.3
443.12204	2.1
461.12943	3.0
483.15448	0.5
501.16376	0.5
581.22412	4.8
623.23328	1.3
625.21466	9.9
643.22455	0.5
667.22473	5.0
685.23621	12.4
686.23853	0.4
707.25775	1.6
725.26929	3.9
727.24402	5.1
767.27832	0.6
769.25726	9.6
787.27228	1.2
829.27948	14.1
830.28381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02404	0.9
65.00324	0.5
67.42708	0.1
69.87724	0.1
71.01377	0.5
73.02934	0.2
79.80063	0.1
83.01373	0.3
85.02929	0.5
89.02444	0.2
91.01874	0.5
92.36903	0.1
99.00855	0.1
99.04491	0.1
101.02429	0.5
107.01402	1.1
108.89458	0.1
109.06597	0.1
111.00938	0.1
112.40037	0.1
113.02451	0.2
114.09023	0.1
114.09830	0.1
123.01966	0.1
123.04555	0.5
132.02136	0.1
133.02953	2.7
135.04527	0.5
151.00375	0.2
152.01169	0.8
155.04993	0.2
157.02910	0.2
157.06305	0.1
159.04509	1.1
167.03444	0.9
167.04721	0.1
169.06570	0.5
179.38051	0.1
180.05771	0.6
181.06621	1.1
183.04549	0.8
189.37611	0.1
196.05336	0.5
197.06136	0.7
199.04002	0.2
201.05592	1.1
213.05569	0.3
224.04767	1.3
225.05591	1.0
227.03409	0.2
240.04396	0.1
241.05132	0.5
269.04568	100.0
270.04904	3.0
415.19763	0.9
576.97388	0.2
787.20673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	9.7
72.99317	1.9
73.02943	1.9
81.22951	0.3
81.59760	0.4
83.01390	1.9
85.02966	7.1
89.02457	6.2
95.01376	0.8
96.95429	0.4
96.96017	7.2
98.95587	0.4
99.00874	2.4
99.04486	0.4
101.02445	7.0
108.02184	43.7
109.02966	10.8
111.00866	0.4
111.04522	0.4
113.02454	3.7
119.03548	0.7
119.05080	0.4
121.02945	2.2
123.04539	0.9
125.02454	0.6
129.01971	0.6
134.03711	0.6
135.04506	1.5
151.00281	0.4
151.04042	2.4
152.01161	100.0
153.01936	5.6
161.04546	0.7
163.04024	5.4
177.01981	1.6
179.03493	1.6
193.05080	0.5
207.03101	1.4
225.11295	0.4
227.12910	1.9
297.06158	0.8
305.07202	1.6
307.08743	5.5
315.07318	1.6
387.16666	0.8
429.10437	12.3
443.19324	0.7
447.11450	13.3
465.76767	0.4
475.04584	0.4
480.92184	0.4
873.30450	48.3
874.30676	6.5
883.10602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46898	0.5
64.47962	0.5
71.01379	39.8
73.02943	13.6
75.00867	2.3
81.03439	2.5
81.54614	0.5
83.01382	8.9
85.02943	19.2
85.85075	0.5
87.00848	1.1
89.02435	15.3
92.11604	1.0
95.01370	2.8
99.00885	5.6
99.04507	77.0
101.02433	66.7
111.00873	0.6
113.01711	1.1
113.02441	19.8
119.03479	5.2
125.02428	44.1
129.01894	0.7
131.03470	2.1
143.03506	8.0
143.10724	1.0
159.02975	4.7
161.04546	24.3
162.76094	0.5
179.05568	0.8
225.74141	0.7
289.16574	5.9
307.17648	57.2
308.17841	2.2
349.18689	35.4
349.21979	0.6
350.19110	0.9
389.21790	6.0
407.22791	2.3
421.20883	1.3
451.21912	100.0
452.22159	3.7
618.79681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92175	0.8
73.69669	0.7
78.95901	86.9
94.25426	0.9
94.55585	0.8
96.96949	19.0
114.82228	0.9
116.92833	5.9
129.92473	0.8
129.95969	0.8
133.00720	0.9
139.11322	1.3
152.99585	24.4
168.04301	3.8
171.10262	16.1
172.10608	3.0
195.13936	8.6
223.00040	7.7
224.07121	1.8
241.01192	33.0
259.02228	1.5
277.21774	15.8
279.23309	99.5
280.23645	23.1
281.24820	3.2
293.21194	6.7
294.21542	1.7
295.22821	33.4
297.03943	1.2
298.37369	0.8
311.22339	9.6
312.22693	4.5
315.04987	0.8
415.22388	1.4
431.22061	3.6
593.27106	1.3
728.45044	1.0
753.85559	0.9
798.52759	10.2
799.53394	37.8
851.69446	1.2
873.51373	100.0
874.51709	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	875.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.6
68.99779	0.4
69.03484	0.9
69.39235	0.3
71.01382	12.9
71.05016	2.3
72.99302	1.8
73.02948	12.3
81.03452	12.7
82.27309	0.3
83.01383	31.5
83.05028	0.6
84.02155	3.6
85.02946	34.7
89.02437	3.6
93.93201	0.3
95.01339	0.5
95.05027	0.5
96.00891	0.6
97.02972	0.7
99.00876	1.9
99.04513	100.0
100.04868	0.8
101.02437	12.1
109.02934	2.7
109.06606	3.3
111.00879	68.9
111.04502	1.7
111.08139	0.7
113.02431	3.4
117.79345	0.4
119.03519	1.8
121.06579	1.5
123.04527	0.5
123.08163	0.4
125.02448	2.1
127.00359	0.7
127.04002	28.5
129.01933	18.2
130.16893	0.4
131.03462	0.5
137.06097	0.3
139.07674	4.8
143.03517	0.8
154.99916	0.4
155.07091	2.5
161.04541	1.4
167.07143	9.1
171.02992	12.2
181.12346	0.7
193.12376	2.2
197.01007	0.5
211.06186	1.8
215.01971	4.1
229.07222	1.5
235.13361	0.6
255.05215	1.7
259.30875	0.4
271.08292	4.4
271.15521	6.8
311.11359	6.5
315.07324	3.1
334.83401	0.4
355.10303	1.7
355.17670	0.4
373.18774	0.7
415.12759	4.1
415.19769	28.4
416.20166	0.9
497.34131	0.4
638.92688	0.4
662.79077	0.4
695.28210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61540	0.5
64.35142	0.6
68.99816	2.6
69.03452	3.5
71.01384	23.5
72.99305	1.2
73.02936	1.3
75.00874	15.6
78.95926	1.1
83.01381	3.0
85.02951	12.1
86.00141	0.6
87.00887	0.6
89.02443	15.5
93.25624	0.6
95.01382	4.6
97.02940	7.6
99.00882	15.0
101.02437	3.8
112.01660	0.7
113.02434	6.8
116.92850	4.9
116.97233	1.0
120.98495	0.6
125.02428	12.7
131.03493	0.9
143.03412	0.8
160.33446	0.6
165.01523	0.6
245.18637	0.6
339.38995	0.6
354.33725	0.7
565.39288	1.4
875.48077	100.0
876.48590	9.0
878.48932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45205	0.3
64.28024	0.3
64.80582	0.2
67.01868	0.3
68.99458	0.3
68.99818	7.1
71.01382	25.3
72.99308	2.6
73.02937	1.2
75.00868	17.5
75.01292	0.6
83.01390	3.5
84.02177	0.4
85.02952	17.2
86.00085	0.5
87.00861	3.4
89.02439	16.3
95.01390	3.4
97.02926	0.3
99.00874	19.0
101.02438	5.3
111.00886	5.0
112.01675	1.0
112.98803	0.6
113.02447	13.4
115.00381	0.6
116.39880	0.3
129.01935	12.4
131.03510	2.5
139.00363	0.4
149.04457	0.3
157.01425	2.8
157.02504	0.2
249.06171	0.3
249.87384	0.3
288.60785	0.3
482.39783	0.3
487.88547	0.3
533.23840	0.3
549.36176	0.3
550.46838	0.3
569.38818	0.4
727.40808	0.3
776.98663	0.3
781.33545	0.3
877.45984	100.0
878.46167	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	881.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	0.7
71.01380	34.4
72.99299	1.1
73.02943	63.4
78.04773	0.4
83.01384	14.4
85.02969	3.6
89.01888	0.6
89.02431	13.9
92.11739	0.6
95.01351	0.7
97.02948	0.5
99.00859	1.1
101.02431	48.3
113.02441	11.4
119.03493	5.7
125.02425	2.0
131.03500	3.2
139.92949	0.5
143.03505	2.5
149.04584	2.5
155.03484	1.0
161.04575	5.0
173.76524	0.6
193.12332	9.0
211.13336	0.6
221.06824	0.5
355.17905	0.8
373.18625	5.2
400.58533	0.6
415.19778	100.0
416.19925	3.8
612.90778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93309	1.2
63.39976	1.2
64.31583	1.5
68.50962	1.6
68.99812	1.4
71.01387	29.6
73.82489	1.4
75.00865	15.1
85.02950	13.2
87.00858	3.5
89.02438	19.2
95.01380	6.2
99.00878	22.0
101.02440	24.0
101.67641	1.4
113.02450	17.6
119.03492	3.3
126.77278	1.9
157.01332	1.9
287.05051	1.5
516.72955	2.1
617.70410	1.6
629.81647	1.6
725.87994	1.7
837.46533	39.5
881.45538	100.0
882.45880	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	881.455
Annotation	Unknow
Peak:m/z	Relative Intensity
68.38536	0.4
68.99820	1.6
69.03457	0.6
71.01386	22.0
72.99301	1.0
73.02950	14.4
75.00467	0.5
75.00875	14.1
79.30121	0.4
83.01383	4.0
85.02527	0.6
85.02947	15.0
87.00883	3.9
89.02442	7.0
95.01390	5.0
97.02991	0.6
99.00883	13.8
101.02443	15.5
103.00288	0.4
112.01678	0.5
113.01719	0.6
113.02458	14.6
115.00311	0.5
119.03516	1.5
125.02519	0.5
131.03503	0.7
139.00365	0.6
153.08714	0.4
157.01405	1.6
160.00587	0.4
161.04568	2.3
196.20035	0.4
208.35541	0.4
223.22314	0.4
437.34442	0.5
457.36816	0.6
572.34778	0.4
615.39209	0.7
646.60242	0.4
720.12885	0.5
756.47321	0.5
795.45618	0.8
837.46497	100.0
838.46460	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	881.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86197	0.9
68.99809	1.4
71.01384	26.6
72.99315	1.4
75.00874	16.8
83.01384	2.3
85.02946	19.8
87.00858	3.9
89.02430	17.4
95.01376	2.4
99.00878	18.2
101.02422	2.5
109.36405	1.0
113.02422	12.3
131.03476	2.0
134.29422	1.0
220.00371	1.1
256.11072	1.1
526.14423	1.1
711.57782	1.2
766.35614	1.3
881.49103	100.0
882.49579	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	883.419
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02417	0.1
71.01390	9.8
72.51124	0.2
72.99310	0.9
73.02940	1.0
75.00884	0.2
83.01381	1.0
85.02953	4.0
86.60307	0.2
87.00865	1.0
89.02444	11.9
95.01369	0.8
99.00848	0.8
101.02438	9.9
113.02454	5.5
113.03234	0.2
113.09719	0.8
115.33918	0.2
119.03491	5.1
119.53833	0.2
121.43909	0.1
125.02400	0.3
125.09827	0.2
127.11278	0.9
128.03494	0.3
129.01892	0.2
131.03433	0.3
139.11282	0.7
141.09212	0.2
143.03500	0.4
155.10779	1.9
157.12338	14.4
161.04619	0.7
164.07292	0.2
167.03496	0.9
171.13896	0.9
179.05615	0.8
185.11830	2.1
187.13390	0.9
199.13364	2.0
200.13745	0.2
201.11295	0.2
203.12915	44.3
204.13257	0.7
239.49992	0.2
245.13960	1.4
251.35500	0.2
277.98663	0.2
365.18185	100.0
366.18594	2.6
427.00397	0.2
508.28836	0.2
517.22858	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99807	1.3
69.03445	0.5
71.01380	36.2
72.99303	28.4
73.02941	6.0
75.00869	24.3
78.71236	0.3
83.01381	4.6
84.02145	0.6
85.02946	43.9
86.03281	0.4
87.00867	10.3
89.02438	9.5
95.01379	8.1
97.02958	0.6
99.00874	16.5
99.04507	0.3
101.02444	7.2
103.00361	10.4
103.04052	0.4
111.00867	1.8
112.01653	1.1
113.02442	64.2
114.02752	0.6
115.00356	5.3
116.01135	0.4
117.01939	4.2
119.03474	0.6
125.90664	0.2
128.03572	0.3
129.01921	2.7
131.03493	4.8
133.01431	2.8
139.00420	0.4
146.75415	0.3
148.77205	0.3
155.35420	0.3
157.01425	4.2
159.02946	0.4
163.02478	1.4
175.02464	9.1
193.03529	22.7
235.04593	2.7
263.04092	0.6
289.05588	2.5
295.00104	0.3
333.04684	0.4
341.10867	1.0
351.05707	32.8
352.06000	0.5
441.33780	0.3
707.40070	0.5
741.97852	0.4
883.43433	100.0
884.43823	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	885.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33828	1.6
71.01390	71.4
72.38290	1.6
72.99300	3.0
73.02968	13.0
75.00873	2.5
83.01379	8.8
85.02961	29.1
87.00871	12.1
89.02447	55.1
95.01393	9.3
96.15237	1.6
97.02953	2.9
99.00868	9.5
101.02454	50.0
113.02448	32.1
119.03521	18.0
125.02425	7.1
127.09444	1.5
128.38820	1.7
131.03494	6.3
143.03468	7.0
157.60735	1.5
161.04572	10.2
163.06293	1.8
179.05659	15.3
179.06987	1.9
193.29877	1.6
215.59668	2.1
295.22818	21.2
297.24423	2.2
313.23871	29.1
323.09833	17.8
341.10916	100.0
383.12122	20.8
388.11154	1.8
429.01315	2.1
457.28128	31.4
475.29169	81.1
476.29483	3.1
517.30078	28.7
522.44574	1.8
547.48053	2.0
614.53833	1.9
615.30573	2.0
617.99988	2.1
624.30756	6.9
624.81537	3.3
638.30823	3.2
638.80804	2.6
645.31964	3.0
645.81384	3.6
781.38702	8.4
799.40070	12.0
841.40491	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	887.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.3
70.55692	0.1
71.01378	20.1
72.99300	1.3
73.02943	3.5
75.00836	0.2
76.36384	0.1
81.73107	0.1
83.01376	2.7
83.05015	0.3
85.02942	8.1
86.00094	0.2
87.00867	1.1
89.02437	17.0
92.11796	0.3
92.22076	0.1
95.01375	2.0
95.05019	0.2
97.02940	0.1
99.00861	1.5
101.02430	19.3
106.41943	0.1
111.00829	0.3
111.04502	0.8
113.02439	9.7
119.03484	7.1
121.06610	0.3
123.08176	0.6
125.02426	0.2
129.01935	0.2
131.03481	0.6
143.03511	0.3
149.04573	0.2
161.04553	1.0
171.11856	0.4
173.09608	0.1
179.05522	0.3
189.12859	2.1
201.13014	0.2
219.13959	1.1
237.14850	1.3
237.39534	0.2
253.72215	0.2
281.13837	0.3
382.94943	0.2
443.19250	100.0
444.19595	5.8
444.24771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.515
Annotation	Divinylchlorophyll a
Peak:m/z	Relative Intensity
61.69717	0.5
62.78815	0.5
65.45217	0.5
76.61800	0.5
78.95892	8.9
83.57503	0.5
86.91573	0.6
96.96965	0.8
120.20476	0.7
127.47297	0.6
152.99666	1.4
171.10217	1.1
223.70279	0.8
241.01154	3.1
253.21741	100.0
254.22008	1.1
279.23312	8.5
280.23676	0.9
281.24600	0.8
401.42685	0.7
625.23145	0.8
815.52686	3.2
889.51093	15.3
890.52069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42720	0.4
78.95902	36.6
90.57539	0.6
92.66000	0.5
93.77890	0.5
96.96954	1.9
97.06607	0.6
99.08144	4.7
114.39509	0.6
116.92848	0.6
122.98427	0.4
125.00088	3.3
125.09687	1.0
127.11290	3.3
134.98480	0.6
137.09763	0.6
139.11273	5.2
152.99580	14.7
155.14517	0.7
167.14439	0.8
168.04318	6.5
171.10284	21.4
183.13914	4.0
193.12321	2.5
209.12029	0.7
211.13425	27.7
217.00337	1.9
224.06960	3.6
225.14980	2.3
229.14436	16.7
238.67816	0.6
279.23309	100.0
280.23685	4.7
293.21136	3.9
311.22333	1.9
329.23370	37.6
343.24857	5.1
415.22272	1.0
504.30844	0.7
695.87646	0.6
699.66663	0.5
745.46802	35.0
746.47235	2.6
771.48413	2.2
816.54083	90.3
817.55029	6.8
830.55829	10.4
831.51056	1.0
890.50726	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	890.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	0.4
63.00490	0.3
71.53123	0.3
78.95910	22.8
79.43919	0.3
80.64739	0.3
83.62885	0.4
85.87569	0.3
89.24770	0.3
96.96014	1.4
96.96918	0.9
98.05445	0.4
99.08132	1.7
116.92809	0.5
123.74950	0.4
125.00086	1.8
127.11282	0.8
134.63364	0.4
139.11275	2.3
149.63354	0.4
149.83650	0.4
152.99597	7.1
156.69885	0.4
163.01730	0.4
168.04305	5.4
171.10277	12.4
173.96519	0.4
174.99164	0.4
175.99290	0.4
183.13786	0.9
197.11859	0.5
209.11925	0.5
211.13422	8.0
217.00430	0.5
224.06967	2.9
229.14420	5.8
279.23300	100.0
280.23621	3.1
293.21103	0.8
311.22354	0.6
329.23337	16.8
343.25024	0.7
465.22769	0.7
554.31134	0.5
745.46704	19.1
746.47534	1.5
759.14081	0.4
800.51642	0.4
816.54077	62.6
817.54041	5.2
830.55621	4.6
831.51550	0.9
881.51074	0.4
890.50684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99830	0.5
71.01384	13.1
72.74329	0.4
72.99302	8.3
73.02946	3.1
75.00870	6.2
78.83376	0.4
83.01389	7.5
84.02173	0.8
85.02950	100.0
86.03258	0.7
87.00877	2.6
89.02430	1.7
93.03429	0.5
95.01380	0.8
97.67056	0.5
99.00880	2.6
101.02445	4.2
111.00881	18.9
113.02460	2.8
115.00400	0.5
121.02948	69.5
122.03302	0.9
123.04488	0.7
129.01939	53.4
130.02225	0.6
131.05029	2.2
133.02979	0.7
133.06589	6.7
135.04509	6.0
143.05070	0.8
145.01463	0.5
150.03204	0.6
152.01181	1.9
159.04547	1.0
161.04860	0.7
161.06093	7.2
163.07550	0.6
165.01936	0.7
165.05598	0.6
167.03482	3.6
173.00914	19.6
180.04379	0.7
182.76993	0.4
189.05598	9.4
214.95541	0.5
225.07710	0.7
239.03593	1.8
240.04216	0.6
251.05632	28.7
255.06555	0.8
267.03030	2.0
268.03802	17.1
269.04562	17.7
270.04797	0.9
295.04617	21.3
296.04910	0.6
363.11313	0.5
417.08270	8.7
473.10980	13.2
474.11533	1.8
519.86517	0.5
624.30737	5.4
624.80450	0.8
847.40173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.22
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	3.8
72.99310	3.6
73.02924	1.4
75.00888	1.8
80.11955	0.8
81.57372	0.9
83.01386	5.3
84.02171	1.3
85.02954	100.0
87.00873	1.5
88.86202	0.8
99.03872	1.7
99.04514	48.2
101.02428	1.3
109.02930	2.0
109.06599	1.9
111.00883	16.8
119.39753	0.9
121.06600	1.5
129.01938	52.5
139.07646	4.3
147.03075	1.0
164.52580	0.9
167.07127	11.0
173.00888	13.0
229.07167	14.4
268.03799	1.1
269.04596	29.9
269.07504	1.2
270.05014	1.9
273.06210	22.0
314.48318	1.0
373.11475	26.0
492.45883	0.9
496.80386	1.0
632.30902	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	891.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	0.2
63.02405	1.2
63.67062	0.2
65.00326	5.0
68.99819	0.4
69.03451	0.3
70.31293	0.2
71.01376	2.0
72.99313	0.2
73.02946	0.9
75.00865	0.2
81.03461	3.5
83.01391	7.5
85.02951	1.1
87.28944	0.2
89.02437	0.8
93.03452	4.2
95.01395	1.1
97.02956	0.6
101.02428	1.1
107.01391	7.7
107.05000	0.4
108.02193	0.5
109.02953	0.5
111.00849	0.5
113.02441	1.0
117.03445	2.2
118.28298	0.2
119.05022	0.5
120.07958	0.2
121.02940	1.4
123.00881	0.3
123.04494	2.0
124.01673	1.8
125.02435	71.0
126.02786	1.4
130.04173	0.3
131.05011	1.3
133.02946	2.9
135.00900	0.4
135.04491	0.4
137.02469	1.6
139.03990	0.3
143.05016	0.5
145.02916	0.4
145.06609	0.3
149.02444	3.5
151.00369	29.8
152.01155	10.0
153.01941	13.0
155.05029	1.0
155.35352	0.3
156.05832	0.4
157.06564	1.8
158.03761	1.7
159.04541	1.8
163.00351	4.1
163.04068	0.3
165.01956	1.6
167.03477	1.2
169.01401	1.2
169.06578	1.4
171.04515	0.5
171.08058	0.3
172.05322	2.9
173.06056	7.5
175.04019	2.4
176.01138	6.4
177.01866	0.5
177.05571	3.3
178.99860	11.3
179.03372	1.7
180.05812	0.4
181.06599	1.7
183.04433	0.4
187.07626	1.0
191.03455	0.4
193.01358	0.3
196.05260	0.9
197.06035	2.5
198.06575	0.2
199.04002	2.2
199.07614	2.2
200.04817	0.9
201.05626	4.7
203.03499	0.4
213.05544	1.9
215.07166	8.5
219.06638	0.3
224.04799	0.3
225.05579	5.1
227.03542	0.3
240.04210	0.4
241.05072	5.8
242.36078	0.2
243.06662	7.7
259.06128	100.0
260.04395	0.2
260.06516	3.5
268.03815	1.1
269.04568	95.6
270.04886	3.2
271.36481	0.2
283.06204	0.5
287.05643	35.2
288.05933	1.4
311.05478	0.5
512.77393	0.3
740.25684	0.4
805.29291	1.2
829.29102	2.7
847.30328	41.7
848.31012	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	891.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02389	0.3
63.50084	0.1
65.00319	0.6
71.01372	1.3
72.99281	0.1
73.02944	0.2
75.00860	0.5
76.58435	0.1
83.01366	0.2
85.02930	0.7
89.02439	0.9
96.95966	0.2
99.00867	0.2
99.04512	0.4
101.02457	0.8
107.01374	0.9
113.02411	0.8
117.03450	1.4
119.03480	0.2
119.08596	0.1
121.02937	0.4
125.02408	0.2
132.02164	0.3
133.02942	1.4
135.04518	0.2
137.09688	0.4
149.02463	0.5
151.00366	1.0
153.01837	0.1
155.05083	0.1
159.04503	0.8
161.02382	0.1
161.09825	0.1
165.01920	0.1
167.03598	0.1
169.06554	0.5
170.93309	0.1
171.04576	0.1
174.96365	0.1
176.01123	1.5
179.10747	0.1
180.05724	0.2
181.06590	1.3
181.08658	0.5
183.04491	0.7
196.05327	0.5
197.06163	0.7
197.11844	0.5
199.04042	0.6
201.05566	0.9
209.06041	0.2
211.04008	0.2
213.05495	0.2
224.04774	0.7
225.05551	1.5
225.14980	0.9
227.03465	0.6
239.03500	0.1
240.04269	0.5
241.05045	0.6
241.10802	0.2
253.05095	1.3
254.05502	0.2
267.03006	0.2
268.03787	6.2
269.04562	100.0
270.04886	3.9
271.06039	0.5
283.06055	0.3
291.06589	0.7
311.05664	4.0
329.16013	0.5
335.05710	0.2
353.06769	0.2
373.18665	1.1
377.17154	0.1
387.16937	0.2
473.11066	0.9
743.35095	0.6
812.80743	0.2
891.39691	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	891.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35159	0.3
65.22326	0.3
65.79371	0.3
67.17739	0.3
68.73679	0.3
68.99809	1.6
69.03459	2.2
71.01378	18.9
72.99317	2.1
73.02943	1.3
74.94575	0.3
75.00454	0.5
75.00867	14.5
83.01387	2.6
85.02949	12.1
86.00118	0.3
87.00857	2.7
89.02438	14.3
95.01382	2.9
96.95929	0.3
97.02941	4.3
99.00863	13.7
101.02433	3.4
111.00899	0.4
112.01640	1.3
113.02441	11.2
115.00401	0.4
125.02426	9.3
125.03344	0.4
129.01906	1.1
131.03510	2.1
136.32860	0.3
157.01408	2.4
535.36505	0.3
583.40002	0.4
741.43518	0.4
791.45728	0.4
891.47540	100.0
892.47888	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	893.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
65.45464	0.4
69.03440	0.5
70.57767	0.4
71.01391	29.8
72.99308	1.0
73.02953	20.8
74.02481	3.8
81.03454	0.5
83.01395	3.6
85.02472	0.7
85.02962	18.2
86.03282	1.1
87.00874	2.5
89.02451	27.9
95.01404	0.8
96.95981	2.6
97.02921	2.5
98.02477	0.7
99.00880	60.1
101.02441	14.6
108.02170	0.5
111.00851	2.2
113.01716	0.9
113.02454	18.3
116.03506	0.6
116.05025	0.8
117.35260	0.5
119.03485	3.1
123.04537	1.0
123.08135	0.6
125.02427	3.1
125.06068	0.7
127.04041	0.9
129.01929	4.0
131.03496	6.2
134.03703	2.4
135.04082	0.5
136.05278	0.5
137.09695	1.1
138.06844	3.1
139.07657	1.1
139.23004	0.4
143.03496	2.1
147.02956	0.5
149.04550	12.0
151.06418	0.7
151.07643	4.4
152.01173	0.8
152.08417	12.1
153.09221	22.2
155.03532	1.9
159.09282	0.6
161.04561	6.9
161.09764	1.8
163.07745	0.6
163.11221	0.7
167.03482	2.3
179.10797	0.7
187.11246	1.0
190.09995	0.8
191.05624	13.0
193.05101	2.1
193.09027	0.5
194.01115	0.5
194.05409	0.6
197.11806	0.9
201.83853	0.5
203.05682	4.1
203.08296	3.5
205.12354	22.9
205.14186	1.0
211.71300	0.5
222.12654	0.6
223.13441	4.5
223.77695	0.5
226.25775	0.5
233.04533	0.5
233.06691	3.4
245.09291	2.9
269.04523	0.6
289.07538	0.7
335.09833	1.0
351.66403	0.6
367.17627	3.2
385.18845	1.8
427.19629	4.7
499.21710	4.5
517.22961	10.1
537.21997	6.0
559.24011	100.0
560.24109	6.4
591.28668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99803	4.4
71.01382	24.0
72.37505	0.4
72.99309	1.2
73.02943	2.2
75.00875	10.8
83.01368	2.6
85.02949	13.1
86.00072	0.7
87.00883	4.2
89.02440	12.5
95.01374	5.7
96.99289	5.6
99.00877	18.0
101.02434	14.4
111.00879	0.8
112.01657	0.7
113.02444	15.2
115.00375	2.2
119.03511	2.7
131.03494	0.8
139.00410	0.7
157.01448	2.8
161.04591	1.3
162.37508	0.5
199.74588	0.5
203.52657	0.6
329.41806	0.5
330.89096	0.6
437.33994	0.6
549.57550	0.6
622.94745	0.6
686.10406	0.6
713.39197	0.7
795.45813	2.8
821.46667	0.7
849.46704	8.0
893.45490	100.0
894.45905	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	893.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79779	0.3
68.99806	2.3
69.03461	0.7
71.01382	28.3
72.01726	0.4
72.99295	2.9
73.02948	7.8
75.00871	13.1
81.03431	0.4
83.01379	2.8
85.02949	21.8
86.00108	1.8
87.00873	9.1
87.04520	3.3
88.63454	0.3
89.02436	8.0
95.01384	4.1
95.30232	0.3
97.02953	0.5
99.00877	14.5
100.01228	0.4
101.02435	6.3
103.03979	2.7
111.00902	0.5
112.01648	0.7
113.02441	14.1
115.00413	0.4
115.04034	4.2
119.03493	1.6
125.02429	0.4
131.03503	13.4
143.03508	8.9
145.05072	1.9
157.01413	1.6
163.06157	2.2
169.73685	0.4
182.24529	0.4
205.07211	5.3
253.25999	0.4
421.31274	0.8
437.34332	8.2
507.38638	1.8
875.49487	0.5
893.49097	100.0
894.49438	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	895.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01873	0.4
68.99834	0.3
70.06780	0.2
71.01380	3.0
72.99300	1.8
73.02951	0.4
75.00888	1.0
79.26380	0.3
83.01381	5.0
84.02164	1.6
85.02950	100.0
86.03287	1.0
87.00877	1.0
91.01878	1.5
101.02428	1.2
103.00382	0.4
108.02164	3.0
109.02973	0.4
111.00150	0.5
111.00880	12.5
121.02950	28.7
122.03274	0.4
123.00893	0.5
123.04518	9.4
129.01936	44.2
130.02315	0.3
131.05009	0.4
133.06581	2.4
135.04526	1.3
143.05019	0.3
145.01408	0.3
147.03001	8.3
151.04044	0.3
152.01149	4.1
159.04628	0.4
161.06104	2.1
166.02692	0.4
167.03497	20.1
173.00917	12.2
173.02411	0.5
181.05090	0.3
189.05606	3.2
190.68314	0.2
191.01953	2.5
192.04384	1.4
207.06647	1.7
220.03841	0.3
233.04575	0.5
235.06140	5.0
251.05618	5.6
253.05135	0.3
268.03845	1.2
269.04477	3.3
270.04874	1.4
277.03638	0.3
279.05035	0.4
294.36795	0.3
295.04630	10.4
297.06186	7.5
313.05676	4.9
338.30014	0.3
341.05173	8.4
341.09061	0.4
431.09998	0.9
463.08981	8.2
464.09381	0.3
626.99323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.336
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	0.3
70.02976	2.9
71.01379	13.5
72.00900	1.0
72.04536	0.5
72.99299	0.4
73.02537	0.3
73.02941	8.2
74.02468	17.5
81.03461	0.3
81.07150	0.2
83.01402	2.0
83.04982	0.3
85.02471	0.4
85.02946	7.2
87.00890	1.1
89.01884	0.3
89.02433	8.6
92.65872	0.3
95.01378	1.1
96.95988	0.6
97.02914	0.4
98.02457	4.5
99.00866	8.3
99.04491	1.3
101.02432	10.5
103.34652	0.2
111.00861	0.4
112.01621	0.5
113.02443	7.1
116.03532	5.0
116.05049	7.1
119.03477	2.3
119.65319	0.2
123.08154	7.5
124.08472	0.2
125.02432	2.2
129.01917	0.4
130.06593	0.9
131.03488	1.3
134.03801	0.3
137.09755	2.4
142.06618	1.7
143.03476	0.9
149.04549	1.0
153.09221	0.3
159.02977	1.0
159.09293	1.9
161.04561	6.0
163.11284	7.8
167.03310	0.4
173.09729	0.4
179.05666	1.0
186.05501	0.3
189.12840	12.7
191.05629	1.5
193.35158	0.2
201.10332	1.6
203.08275	20.3
207.13916	17.1
208.14191	0.4
225.14873	1.8
245.09297	20.3
246.09575	0.4
284.03244	0.4
285.03955	0.5
289.07935	0.2
351.98636	0.3
369.19098	0.3
387.20218	1.0
429.21106	1.8
449.20590	0.4
501.23444	1.6
519.24457	9.2
561.25562	100.0
562.25812	6.0
739.96167	0.3
853.44012	0.3
896.20740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99824	4.0
69.03474	0.5
71.01392	24.9
72.99294	2.2
73.02950	5.4
73.81147	0.4
75.00462	0.6
75.00880	13.1
75.02352	0.4
83.01373	2.2
85.02956	13.7
85.03416	1.0
86.64522	0.5
87.00866	3.0
89.02441	12.5
92.12395	0.6
95.01379	5.8
99.00884	27.4
101.02441	14.6
105.37878	0.5
112.01630	0.6
113.02454	15.5
119.03477	2.3
131.03540	1.1
131.20203	0.5
139.00333	1.1
161.04567	1.0
220.89731	0.5
895.47070	100.0
896.47577	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	895.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
68.31365	0.4
68.99731	2.6
71.01301	37.9
71.01734	2.9
72.49791	0.5
72.99224	4.3
73.02900	1.3
75.00789	26.8
75.01241	2.0
77.69061	0.5
83.01303	3.3
85.02862	27.3
85.03407	1.8
86.00019	0.8
87.00775	5.8
89.02442	26.3
92.66405	0.5
95.01284	5.6
96.30639	0.4
96.95916	2.0
96.99242	0.5
99.00874	26.3
100.45102	0.5
101.02440	6.3
102.56912	0.5
105.84481	0.4
111.00813	0.8
112.01534	2.5
113.02444	24.5
115.00279	0.7
116.92797	0.5
129.01849	1.9
131.03513	4.4
139.00269	0.6
149.04451	0.5
157.01421	4.8
292.72113	0.6
329.57523	0.5
442.44736	0.6
451.36026	0.6
456.09470	0.6
463.35736	0.7
483.38278	0.6
527.37091	1.1
604.28253	0.6
641.39734	1.1
791.45953	100.0
792.46350	11.5
811.78253	0.7
835.45123	10.6
836.45685	0.6
895.47089	75.2
896.47894	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	896.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	3.6
71.01382	26.5
73.02946	17.5
81.03447	1.1
83.01382	7.9
85.02952	12.0
87.00861	0.7
88.24844	0.6
89.02441	9.2
95.01382	1.3
96.96023	5.9
97.02947	16.4
98.95580	1.0
99.00874	36.2
99.04526	7.3
101.01760	1.3
101.02439	40.5
111.00783	0.7
113.02444	17.9
115.03962	0.9
116.05043	3.2
123.04538	0.9
124.01633	1.2
125.02439	100.0
126.02769	1.4
127.05107	0.7
128.03548	11.8
129.01988	0.7
131.03493	3.2
141.06711	1.1
143.03543	3.0
151.03944	0.8
159.02986	3.0
161.04591	23.0
182.82167	0.8
191.05640	6.8
203.05664	4.9
203.08199	4.4
205.03714	0.9
225.11328	0.7
240.60820	0.8
293.08856	4.8
305.06891	5.6
306.07391	0.9
307.07324	0.8
329.08853	0.8
332.12527	3.3
401.10889	0.8
419.12012	81.3
420.12332	2.7
461.13089	30.4
501.16211	8.7
563.16235	90.2
564.16431	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	897.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.5
71.01376	11.8
72.99287	0.9
73.02936	3.2
82.99393	0.7
85.02950	5.0
87.00910	0.8
89.02435	6.0
95.01357	0.8
97.02950	1.6
99.00885	7.5
99.04497	1.1
101.02428	4.5
113.02444	5.0
124.05290	1.3
125.02459	2.9
133.10265	0.9
135.11794	10.7
137.09697	0.9
143.03522	1.4
149.04584	1.4
155.03378	0.9
161.09750	1.7
164.46120	0.7
179.10780	100.0
180.11111	1.0
181.08699	1.3
191.05621	1.0
197.11862	0.9
203.05655	6.2
210.89311	1.0
215.05557	2.8
221.11842	11.3
223.09764	10.4
233.06755	1.0
239.13065	1.5
251.12854	7.8
259.76770	0.9
280.82867	0.8
295.12183	1.1
299.69302	0.7
311.14981	5.6
353.16229	1.0
355.13925	1.2
356.43848	0.8
395.16974	1.8
397.14975	1.6
644.78430	0.8
749.33917	8.5
767.34778	3.4
809.36401	13.9
897.46350	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	897.416
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	10.9
73.04055	4.2
75.00864	3.3
83.02515	10.1
85.02923	5.5
85.04076	9.3
93.03423	3.5
99.00880	3.6
99.01979	16.8
99.05628	2.2
101.02452	3.8
113.03561	13.1
115.08772	15.8
116.05051	6.0
119.05023	33.2
128.04616	5.9
130.08730	55.4
131.41890	2.5
137.07193	11.1
141.06702	18.1
143.11909	29.0
147.04524	3.9
155.08293	13.6
162.05609	18.3
169.09764	5.2
172.10919	35.4
176.17281	2.6
179.08208	10.5
184.10884	3.4
187.10898	5.5
191.08241	4.0
200.14061	35.4
203.25546	2.6
217.06142	3.4
219.07767	3.5
226.11981	3.6
241.13048	4.5
244.13040	3.2
257.16251	10.4
271.10709	3.2
278.15146	26.2
289.05164	3.0
316.16602	10.7
347.17322	26.7
356.23068	14.7
373.09729	3.1
385.08215	2.7
404.19363	3.7
453.21332	6.3
635.32556	3.0
755.19202	3.2
853.38989	71.5
897.41748	100.0
898.42053	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	897.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99819	1.4
71.01381	20.5
72.99279	0.8
73.02948	14.8
75.00867	13.5
75.21306	0.7
83.01382	5.0
85.02946	16.7
85.35936	0.7
87.00875	4.2
89.02444	7.5
95.01377	5.0
99.00872	19.1
101.02441	17.6
112.01684	1.0
113.02445	14.7
157.01431	1.4
161.04482	1.1
207.31595	1.0
310.28146	1.0
425.34406	1.0
853.45972	100.0
854.46246	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	897.4857
Annotation	Kabiramide D
Peak:m/z	Relative Intensity
71.01382	22.8
75.00866	14.6
85.02946	20.0
87.00862	3.4
89.02426	13.6
90.91219	2.3
95.01389	4.3
99.00886	24.8
99.49037	2.3
101.02425	19.0
105.43317	2.4
113.02460	14.5
119.03575	2.8
129.40768	2.3
141.76488	2.4
145.83762	2.3
196.52118	2.3
202.48703	2.4
211.02840	2.5
897.48492	100.0
898.48901	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	897.4865
Annotation	AM 6222B
Peak:m/z	Relative Intensity
67.20434	0.4
68.99806	0.6
71.01382	25.6
72.99298	2.9
73.02934	2.6
75.00455	0.7
75.00866	16.6
83.01377	3.1
85.02950	19.2
85.03465	0.6
85.04046	0.7
86.00064	0.9
87.00899	3.7
89.02438	15.0
95.01383	2.6
99.00880	18.1
100.38171	0.5
101.02437	7.8
107.93142	0.4
111.00848	0.7
112.01669	1.0
113.02442	15.9
115.00406	0.5
128.03505	0.7
129.01952	0.8
130.85991	0.5
131.03487	5.1
134.03683	0.6
149.04561	0.5
157.01424	3.6
170.71681	0.4
178.18340	0.4
196.07486	0.5
196.49788	0.4
223.05850	0.5
309.55319	0.4
320.09232	0.6
336.17499	0.5
348.02902	0.4
853.45258	0.8
897.48627	100.0
898.49438	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	899.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02386	0.2
63.48305	0.1
65.00314	0.2
83.01399	0.1
85.02949	0.5
91.01900	0.3
92.11752	0.4
92.49036	0.1
97.84074	0.1
101.02417	0.1
107.01396	0.2
107.97243	0.1
129.01952	0.2
132.02187	0.2
133.02959	1.5
141.19504	0.1
157.03012	0.1
159.04523	0.6
168.19211	0.1
169.06523	0.2
176.89511	0.1
180.05806	0.2
181.06613	0.8
183.04538	0.2
196.05231	0.4
197.06160	0.2
199.03981	0.1
201.05621	0.7
213.05524	0.1
224.04826	0.7
225.05563	0.6
227.03520	0.2
239.03551	0.5
240.04337	0.2
249.13358	0.1
253.05101	9.6
254.05417	2.4
255.05788	0.2
267.03043	0.5
268.03796	5.9
269.04581	100.0
270.04926	4.1
283.42801	0.1
431.09903	3.4
432.10315	0.4
467.07559	5.3
710.04919	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02975	8.0
72.00913	2.8
72.04555	1.6
73.02921	0.3
74.02473	51.2
81.03465	0.3
82.30229	0.3
82.36922	0.4
83.01379	1.5
84.02229	0.3
85.02955	8.2
86.03303	0.6
89.02480	0.6
89.94621	0.4
93.03454	0.6
98.02473	12.7
99.04531	0.7
101.02457	0.8
104.38186	0.4
107.01404	0.4
108.02112	0.4
111.00854	2.0
116.03545	18.6
116.05053	21.3
121.02928	1.5
123.00877	0.4
123.04496	0.8
125.02452	1.3
127.04012	0.6
129.01912	1.9
130.06615	2.3
132.38013	0.4
134.03738	1.5
135.00873	0.7
142.06662	5.6
151.00369	3.0
152.01178	0.7
153.05511	0.6
159.09274	5.4
163.00360	0.6
167.03514	1.4
169.01430	0.5
171.03096	0.5
175.04062	0.4
183.04558	0.6
183.09306	1.7
185.05994	0.4
186.05627	1.7
187.04057	0.6
191.01888	0.7
193.05066	2.2
197.04486	0.4
201.10349	4.7
203.08290	64.5
204.08643	0.7
209.03128	0.4
211.04219	1.2
213.05577	0.5
227.03517	34.0
228.03900	0.8
229.05075	4.7
235.06189	0.4
245.09331	100.0
246.09630	3.0
255.03006	56.5
256.03613	5.0
257.04630	2.2
271.02466	0.4
283.02554	2.2
284.03287	93.1
285.04050	31.1
286.04089	0.8
300.02817	1.8
429.08459	0.6
431.19421	0.8
609.14758	78.8
610.14832	5.7
816.82947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	0.8
69.03447	0.6
70.53288	0.4
71.00986	0.8
71.01383	23.5
72.99309	4.6
73.02940	3.6
75.00871	28.3
78.95906	1.6
83.01378	3.7
85.02950	34.6
87.00877	7.6
89.02440	3.0
89.83287	0.5
95.01374	2.7
97.02950	0.8
99.00880	10.5
101.02454	6.6
111.00849	0.7
113.02448	34.9
114.02778	0.5
114.99677	0.4
115.00343	3.5
116.67295	0.4
117.01916	2.1
121.02927	0.4
125.00050	0.4
125.02431	2.7
131.03508	0.6
139.06406	0.4
143.03534	0.6
159.02960	0.5
161.04625	0.8
175.02518	1.8
192.08836	0.5
212.14864	0.4
358.66174	0.5
766.35797	0.5
803.26685	0.6
855.47601	100.0
856.48065	12.4
899.48474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.5749
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.7
71.01384	35.6
72.99306	2.3
73.02950	9.2
74.22223	0.3
75.00869	1.5
78.95900	1.5
83.00923	0.5
83.01389	7.8
84.02142	0.3
85.02946	11.0
87.00874	42.8
89.02441	33.7
92.11720	0.8
95.01379	3.6
97.02946	1.7
97.06590	0.7
99.00875	2.0
101.02441	26.2
111.00885	0.7
113.02448	30.1
113.09732	0.8
115.04024	0.6
119.03491	10.1
125.02432	1.8
125.06065	0.8
129.01929	1.4
131.03473	1.6
141.01956	3.0
143.03528	4.8
149.04509	0.4
155.14491	0.4
156.44786	0.4
161.04559	7.2
179.05598	8.8
195.13902	7.4
199.71484	0.4
217.15485	0.3
241.01183	0.5
263.23898	2.6
265.25293	0.6
270.57388	0.4
275.23877	4.1
277.21756	9.1
279.23318	100.0
280.23639	2.3
290.60080	0.4
291.23428	1.3
293.24915	27.6
294.25046	0.5
295.22821	43.1
296.23190	1.8
303.23322	2.6
321.24399	11.9
323.05994	0.6
323.09857	25.2
341.10928	50.9
342.11395	0.4
347.95599	0.3
351.25626	0.5
375.25439	0.4
377.03204	0.4
384.40369	0.4
441.28470	0.4
532.11353	0.4
603.33942	36.7
604.34180	1.6
614.45459	0.4
808.45380	0.4
899.50763	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01908	0.2
68.99804	0.8
70.15542	0.2
71.01377	2.4
72.99308	0.8
73.02934	1.0
75.00858	0.3
75.44003	0.2
83.01385	5.0
84.02168	2.1
85.02944	100.0
86.03283	0.5
87.00874	0.7
95.01358	0.3
101.02426	1.4
103.00365	0.7
106.00597	0.4
111.00867	12.3
115.00359	0.3
121.02952	11.4
123.00886	1.3
129.01929	39.7
130.02292	0.2
132.02106	0.2
135.04526	0.3
136.98854	0.3
138.03195	1.6
139.00375	1.9
139.04010	0.8
145.01373	0.2
147.02992	8.8
147.04494	1.2
149.02441	16.6
152.01108	0.4
153.05577	8.9
154.99861	0.4
163.04037	0.4
164.04787	11.7
166.99843	1.2
167.03488	0.3
173.00899	10.8
173.02397	0.4
175.00356	0.4
179.07060	1.7
181.08638	0.3
182.02257	3.8
190.02687	1.8
191.01958	7.3
191.03453	0.4
193.01450	0.9
193.04970	0.3
196.03786	0.9
197.04555	15.7
205.05043	2.8
207.03038	0.4
208.03809	2.1
209.03075	1.3
211.06142	0.4
222.05310	1.3
223.06129	16.5
224.06537	0.3
237.07715	1.5
248.06979	0.2
250.04721	0.4
265.07193	3.9
280.47534	0.2
291.08765	1.7
296.36362	0.2
307.13861	0.4
327.07248	7.1
328.07382	0.3
353.08685	2.5
371.06183	8.2
372.06311	0.2
389.07227	4.5
397.07794	8.2
415.08902	4.1
595.13147	4.2
699.36761	0.2
792.41089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82504	0.2
68.99809	2.3
69.03448	2.4
71.01384	24.8
72.99288	1.9
73.02935	1.9
74.74207	0.2
75.00459	0.5
75.00872	13.6
83.01392	4.2
85.02949	9.6
87.00873	2.6
89.02444	12.7
95.01384	4.7
97.02946	5.2
99.00245	0.4
99.00878	13.5
101.02435	15.7
111.00863	0.4
112.01659	0.6
113.01717	0.5
113.02450	10.3
119.03491	2.5
125.02449	8.1
131.03461	0.3
139.00397	0.3
143.03470	0.5
154.28996	0.3
157.01404	1.2
161.04559	1.1
219.76727	0.3
346.06400	0.3
450.59082	0.3
465.37177	0.5
565.38983	2.4
630.07336	0.3
635.43451	0.7
905.49152	100.0
906.49475	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	907.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34082	0.3
67.01884	0.7
71.01379	0.9
79.05519	2.5
83.01373	0.8
85.02943	3.6
89.02448	0.5
91.05533	0.6
93.03460	3.9
95.01362	3.0
99.00873	0.6
101.02436	0.6
105.03454	3.5
107.01344	0.5
107.05029	4.4
108.02198	0.6
108.97640	0.4
109.02957	12.4
113.02412	0.5
116.90611	0.4
119.05029	1.9
121.02948	9.2
122.03735	5.4
123.00855	0.7
123.04515	64.9
124.04876	0.5
125.02421	0.5
129.01932	0.8
133.02934	6.5
134.03796	0.8
135.00871	0.6
135.04514	16.2
136.01653	2.3
137.02441	5.9
138.03191	0.4
145.02972	0.8
147.02963	0.4
147.04543	1.7
148.01688	0.8
148.05396	0.3
149.02438	15.8
150.01978	0.4
150.03220	16.9
151.04007	29.9
152.04379	0.3
153.01981	0.7
161.02422	4.3
162.03302	0.8
163.00351	0.6
163.04010	30.1
164.04788	0.6
165.01866	0.4
165.05562	1.6
167.03503	4.0
169.89877	0.3
171.08110	0.5
175.04022	1.5
176.01195	0.4
177.01924	4.0
178.02715	6.3
179.03455	2.9
181.05080	7.8
182.02219	4.8
182.07262	0.6
183.08109	0.6
189.01956	1.6
191.03523	1.3
193.05078	1.7
195.03003	1.7
195.08250	0.4
197.09752	1.5
199.07645	0.4
205.01443	6.3
206.02350	1.5
207.03020	4.4
208.03766	2.9
213.09261	1.4
217.05081	1.9
227.07094	1.9
235.02560	1.4
235.06058	0.7
239.07153	3.6
241.08702	8.4
243.06651	9.0
251.07178	0.6
252.50414	0.4
253.04526	0.4
253.08728	1.9
255.06686	3.5
257.08237	17.4
267.06567	3.1
269.08221	10.5
271.06204	3.2
279.06912	0.4
281.08252	2.8
283.06073	3.2
285.07712	79.3
286.08041	2.7
295.06192	1.9
297.07687	13.5
299.09235	0.7
313.07224	100.0
314.07684	3.8
315.05057	0.9
315.08798	26.0
316.08948	0.6
325.07275	3.0
327.08765	2.0
343.08279	35.4
344.08569	0.8
351.08826	0.6
355.08243	1.9
369.09955	0.6
387.10950	1.4
387.16626	1.9
397.09424	5.3
415.10416	1.4
433.11490	7.0
457.11337	0.6
475.12521	88.6
476.12915	4.8
519.20959	1.8
767.53259	0.4
783.59595	0.4
786.34192	0.4
786.48395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99808	1.6
69.03449	0.7
71.01382	21.7
72.99309	2.3
73.02952	1.2
75.00452	0.5
75.00868	14.4
78.95898	0.4
83.01388	1.9
85.02946	17.6
86.00069	0.5
87.00877	2.9
88.79776	0.2
89.02441	14.3
92.11652	0.6
95.01376	3.5
97.02936	0.3
99.00875	50.2
100.01223	0.4
101.02422	3.1
103.92086	0.3
111.00880	0.6
112.01669	0.6
113.02444	22.5
115.00335	0.6
129.01906	0.5
131.03487	2.0
139.00342	0.5
141.01942	20.7
142.02325	0.3
149.04565	0.3
157.01422	2.4
218.40961	0.3
281.70245	0.3
342.81918	0.3
643.38428	0.4
765.44464	8.9
793.43848	12.0
794.44269	1.4
860.60297	0.4
891.47247	0.5
907.47058	100.0
908.47333	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	907.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.2
68.99458	0.3
68.99815	4.9
69.03487	0.3
70.98429	0.2
71.01382	24.9
71.66571	0.2
72.99311	2.2
73.02946	1.8
75.00868	14.3
75.01293	0.5
83.01382	3.8
85.02948	16.3
86.00101	0.5
87.00871	3.8
89.02437	14.1
95.01387	5.4
96.99312	0.2
97.02937	0.3
99.00874	16.9
101.02435	15.1
108.62399	0.3
111.00880	3.0
112.01658	0.6
112.98872	0.3
113.02440	13.2
115.00346	0.9
119.03500	3.1
125.02470	0.2
129.01927	8.1
131.03496	1.0
139.00352	1.6
143.03531	0.3
157.01437	1.3
161.04530	1.0
169.19522	0.3
204.30295	0.3
287.22772	0.3
401.87836	0.3
569.38727	0.3
819.21332	0.3
849.99030	0.3
907.47070	100.0
908.47479	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	909.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	0.3
68.99826	1.1
69.03459	1.4
71.01390	28.6
72.99319	2.8
73.02953	9.9
74.25979	0.2
75.00878	13.8
81.03456	0.3
83.01395	2.8
84.02187	0.3
85.02962	26.6
86.00117	2.6
87.00885	12.2
87.04520	3.7
89.02453	8.8
95.01398	3.6
97.02918	0.4
99.00883	17.9
99.04523	0.4
102.81199	0.2
103.04016	2.8
111.00861	0.3
112.01660	1.8
113.02451	21.5
115.00374	0.5
115.04008	6.6
119.03482	1.4
125.02435	0.3
127.04010	0.3
129.02013	0.2
131.03496	15.0
139.00359	1.2
143.03508	11.8
143.74623	0.2
145.05054	1.9
157.01443	2.0
163.06137	2.4
205.07195	6.6
282.24545	0.2
307.24368	0.3
375.27100	0.3
391.30307	2.6
407.33365	4.0
408.16925	0.2
435.32727	0.4
455.35352	2.0
460.58737	0.2
499.34137	0.3
523.71906	0.2
613.37524	0.9
614.74658	0.2
693.70404	0.2
704.02203	0.2
818.46869	0.2
891.47894	0.5
909.48602	100.0
910.48828	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	909.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	0.3
68.99816	1.5
69.03452	1.4
71.01382	28.3
72.12944	0.2
72.99320	1.8
73.02946	8.5
75.00870	15.8
80.42923	0.2
81.03436	0.2
83.01382	3.3
84.02153	0.4
84.32485	0.2
85.02951	36.7
86.00106	1.9
87.00871	8.8
87.04515	3.2
89.02441	7.5
92.12411	0.8
95.01383	4.6
97.02950	0.2
99.00877	18.2
99.04539	0.3
103.03997	2.1
111.00865	0.4
112.01661	1.4
113.02447	30.6
115.00359	0.9
115.04016	5.2
119.03491	1.1
125.02400	0.3
127.03992	0.2
129.01970	0.7
131.03497	11.7
137.09749	0.2
139.00360	1.4
143.03511	8.8
145.05067	1.2
157.01407	2.2
163.06161	2.4
205.07216	4.4
292.84631	0.2
391.30072	4.0
407.33316	4.7
423.33176	0.3
435.32803	1.3
455.35471	2.8
499.34784	0.4
600.06482	0.2
613.37921	0.3
847.47729	0.2
891.46985	0.8
909.48639	100.0
910.49011	11.4
910.67224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34326	0.4
68.99812	2.2
71.01387	20.3
72.99297	2.0
75.00871	14.6
75.11990	0.5
78.95892	1.2
83.01377	3.2
85.02958	13.9
86.00156	0.4
87.00854	2.0
88.53406	0.4
89.02445	15.2
95.01369	3.3
99.00879	15.7
99.27756	0.5
99.62362	0.5
111.00894	4.4
112.01678	0.8
112.98817	0.6
113.02440	11.5
115.00385	0.9
117.31774	0.5
129.01921	4.0
131.03476	2.1
143.03499	0.7
149.45471	0.5
153.36943	0.4
157.01422	0.9
227.49507	0.5
248.06584	0.5
274.27106	0.5
288.97784	0.5
403.57510	0.5
419.68686	0.5
615.79718	0.6
909.48627	100.0
910.48566	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	909.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99831	1.5
71.01392	24.4
72.99307	1.1
73.02968	6.6
75.00883	12.7
75.58681	0.6
75.85719	0.6
82.13055	0.7
83.01386	1.7
85.02474	0.8
85.02963	16.1
87.00866	3.4
89.02448	12.8
95.01396	3.3
99.00887	19.7
99.04527	1.3
101.02436	3.8
112.01672	1.4
113.02437	10.3
127.49988	0.8
129.01971	1.0
131.03505	1.3
157.01424	3.8
171.07216	0.9
190.50273	0.8
207.41194	0.8
247.67767	0.7
269.89783	0.8
303.71536	1.0
463.35809	1.3
736.42108	0.8
791.46021	3.3
909.48621	100.0
910.49280	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	909.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99804	2.2
71.01382	24.8
72.99298	1.4
73.02951	1.0
75.00869	15.6
78.47626	0.5
83.01399	3.0
85.02947	15.0
86.00070	0.8
87.00882	2.9
89.02436	13.9
92.11734	1.1
95.01385	3.6
96.99282	0.9
99.00875	16.1
101.02429	3.8
111.00893	4.0
112.01646	0.8
113.02454	11.2
129.01915	3.2
129.92302	0.6
131.03497	2.2
135.61064	0.6
141.95552	0.5
143.03448	2.0
144.20447	0.6
157.01436	1.2
391.29660	0.7
658.62476	0.7
867.78204	0.6
909.48615	100.0
910.49030	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	910.5231
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49335	0.3
70.39315	0.3
78.95901	53.4
89.07460	0.3
92.11826	0.3
92.86453	0.3
96.96967	5.3
107.75196	0.3
135.44354	0.3
140.01160	2.0
150.98012	1.9
152.99596	100.0
171.00648	2.8
196.03827	3.1
214.04855	0.5
279.23315	34.4
280.23688	1.4
433.23654	28.3
434.23813	1.7
447.48926	0.3
476.27835	20.8
477.28217	0.5
817.62811	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44955	0.0
65.00033	0.1
65.00284	0.4
68.99867	0.1
69.36266	0.0
71.01372	0.5
73.02948	0.2
83.01385	0.3
85.02949	0.5
86.70596	0.1
89.02428	0.3
91.01873	0.4
99.00875	0.1
99.04516	0.8
101.02431	0.8
107.01383	0.7
113.02452	0.3
117.03449	0.1
121.02916	0.1
123.04504	0.1
125.02445	0.2
129.01982	0.1
132.02168	0.2
133.02945	2.0
134.03683	0.1
135.00868	0.1
135.04509	0.4
151.00409	0.2
153.01942	0.1
155.05022	0.1
157.02948	0.4
159.04520	0.8
161.02499	0.1
161.04536	0.3
167.05061	0.1
169.06593	0.5
171.04506	0.1
173.06050	0.1
173.48544	0.1
176.01111	0.1
180.05811	0.5
181.06587	1.3
182.03729	0.1
183.04556	0.9
195.04512	0.1
196.05254	0.5
197.06116	0.8
199.04048	0.4
201.05635	1.0
213.05554	0.3
223.04170	0.1
224.04816	0.9
225.05544	0.9
227.03506	0.3
239.03506	0.1
240.04272	0.1
241.05051	0.4
249.13396	0.5
249.83612	0.1
253.05103	0.3
267.03040	0.1
268.03772	1.8
269.04559	100.0
270.04898	2.3
291.06705	0.3
291.14642	0.1
299.97253	0.1
307.06018	0.1
307.14185	0.1
307.17624	0.5
311.05734	0.4
335.05728	0.2
349.18741	0.3
353.06296	0.1
393.17410	0.5
413.08743	0.6
473.10992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00346	0.5
71.01389	1.7
73.02955	0.5
83.01385	0.4
85.02934	1.0
89.02447	0.6
91.01893	0.2
92.66673	0.1
94.44366	0.1
95.01366	0.2
96.53925	0.1
99.00877	0.2
101.02437	1.8
107.01376	0.5
113.02434	1.1
119.03462	0.2
121.02979	0.1
127.17358	0.1
132.02164	0.3
133.02933	1.9
135.00914	0.1
135.04510	0.4
151.00421	0.1
153.01939	0.1
157.02919	0.1
159.03238	0.1
159.04509	0.9
161.04538	0.7
169.06494	0.4
169.22427	0.1
173.06058	0.1
176.01122	0.1
180.05804	0.4
181.06557	1.2
183.04491	0.7
185.79451	0.1
195.04442	0.1
196.05293	0.5
197.04559	0.1
197.06149	0.5
199.03986	0.4
201.05614	0.9
209.06100	0.3
213.05563	0.4
224.04808	1.1
225.05598	1.0
226.02586	0.1
227.03471	0.2
239.03503	0.4
240.04282	0.4
241.05028	0.5
253.05043	0.7
256.47800	0.1
267.02884	0.5
268.03778	6.4
269.04556	100.0
270.04889	3.2
271.06241	0.1
283.06052	0.5
289.16388	0.1
291.06696	0.7
307.17697	2.2
311.05600	4.7
312.06088	0.1
335.05530	0.4
349.18671	2.0
353.06766	0.3
573.80096	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	911.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.1
67.05878	0.4
67.19080	0.4
69.97479	0.4
71.01363	0.8
75.39670	0.4
84.18332	0.4
85.02962	0.8
88.21883	0.4
89.02418	0.6
101.02442	1.0
113.02449	0.9
119.04998	0.7
124.05266	1.0
124.96018	0.6
135.11774	2.8
137.09756	0.5
150.36858	0.4
151.00385	1.0
179.10782	100.0
180.11040	3.2
180.27692	0.5
181.08652	0.9
197.11884	3.1
223.09798	10.0
239.12946	4.5
241.10793	3.5
243.84447	0.4
253.05147	0.6
269.04584	0.7
271.06250	2.7
283.11896	21.7
283.15018	0.8
415.04474	0.5
583.26025	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	911.414
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35566	0.7
68.92286	0.6
71.01389	62.2
72.99303	3.3
73.02953	21.0
75.00871	1.6
81.03445	0.8
83.01397	11.5
85.02956	50.9
87.00890	3.1
88.09930	0.7
89.02449	23.7
92.11710	1.2
95.01381	8.9
99.00879	6.7
99.04511	31.1
101.02440	59.2
108.76875	0.6
111.00868	1.4
113.02448	57.1
119.03474	9.8
121.02937	3.2
123.20696	0.7
125.02427	18.4
129.01961	3.4
130.13309	0.8
131.03502	4.4
134.03731	1.2
143.03494	5.0
149.04576	1.8
152.01128	0.7
159.03017	1.4
161.04576	11.5
179.05637	0.8
185.22926	0.7
193.05104	0.8
193.12334	12.6
209.08322	0.9
211.13445	1.4
239.31639	0.8
252.03754	0.7
253.05132	3.2
289.16339	1.1
295.04630	1.1
307.17673	22.4
349.18655	14.9
355.17621	27.0
373.18640	6.4
389.21735	1.7
415.19772	100.0
416.19989	3.9
451.21906	43.0
452.22287	1.0
459.41733	1.0
489.26675	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	911.502
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	0.3
68.99813	1.1
69.03458	1.2
71.01380	24.3
72.99298	2.4
73.02543	0.4
73.02943	8.1
75.00867	15.1
81.03444	0.3
82.85804	0.2
83.01382	3.3
84.02153	0.6
85.02946	31.9
86.00095	1.7
86.03357	0.2
87.00874	6.9
87.04480	2.5
89.02435	6.4
95.01377	4.1
96.19909	0.2
99.00869	13.7
99.04534	0.5
101.02425	4.3
103.04009	2.4
111.00887	0.4
112.01665	1.8
113.02445	26.3
114.02728	0.3
115.00384	0.4
115.03997	5.1
119.03506	0.4
131.03487	10.1
139.00375	1.2
143.03497	8.6
145.05055	1.5
157.01425	1.8
163.06107	1.6
195.29726	0.3
205.07201	5.2
381.86292	0.3
407.33414	0.5
425.34409	0.4
435.76068	0.4
437.34451	1.8
450.66318	0.3
452.03586	0.3
457.36954	2.5
501.36035	0.4
840.55511	0.3
893.49890	0.5
911.50208	100.0
912.50549	11.4
912.68475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	1.3
69.03462	0.6
71.01388	25.6
71.15807	0.3
72.99310	2.6
73.02592	0.5
73.02958	8.0
73.56911	0.2
75.00876	11.6
75.57204	0.3
83.01377	2.2
84.02158	0.4
85.02959	22.1
86.00092	1.9
87.00884	9.1
87.04520	3.7
89.01950	0.5
89.02454	7.9
95.01363	3.1
97.02955	0.3
99.00238	0.5
99.00880	12.4
99.04501	0.4
101.02438	5.9
103.04019	3.0
104.50101	0.3
111.00896	0.6
112.01666	1.8
113.02451	18.4
115.00372	0.5
115.04014	7.1
119.03495	1.2
125.02435	0.3
129.01953	0.3
131.03494	11.5
131.04491	0.4
139.00372	1.2
143.03506	10.1
145.05086	1.9
157.01439	2.1
163.06122	2.3
192.67474	0.3
205.07213	6.0
391.30188	0.4
425.34448	0.4
437.34351	0.5
457.36926	1.1
615.38794	0.4
782.07300	0.3
893.48755	0.6
911.50177	100.0
912.50592	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	911.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99823	1.2
71.01388	22.4
72.36323	0.6
72.99306	1.4
73.02941	3.3
75.00871	13.1
83.01387	3.5
85.02964	14.9
87.00871	3.3
89.02450	11.0
92.12373	1.1
95.01382	5.9
99.00885	14.1
101.02443	13.2
111.78537	0.5
112.01626	0.6
113.02459	12.4
115.00391	0.7
119.03518	2.6
125.02396	1.0
131.03575	0.6
139.00359	0.8
157.01408	0.6
160.63603	0.8
266.89127	0.6
295.61713	0.6
412.82547	0.7
472.80560	0.6
742.08289	0.7
875.47632	2.9
911.50226	100.0
912.50250	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	913.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05540	3.0
68.30041	0.3
68.99809	0.8
69.03473	0.7
71.01384	17.3
72.99304	3.0
73.02946	7.4
75.00869	6.9
76.57562	0.3
83.01388	2.8
83.05016	1.4
84.02132	0.5
85.02953	10.5
87.00880	3.1
87.21220	0.3
89.02444	11.2
95.01388	2.7
95.05059	0.4
97.02913	0.7
99.00883	10.6
99.04529	0.8
101.02448	9.7
103.00321	0.4
111.00851	0.7
111.04474	0.6
112.01661	0.7
113.02451	14.6
119.03455	0.7
123.04501	0.5
123.08150	0.4
124.05308	2.9
125.02457	2.7
127.04038	0.5
129.01944	0.4
131.03484	2.3
133.10246	3.5
135.11801	13.5
137.02446	0.4
137.09734	1.9
143.03502	1.4
147.10896	0.3
148.89313	0.4
149.04559	1.6
149.23625	0.3
151.07652	0.6
152.01152	1.5
152.08432	2.2
153.09254	3.8
155.03535	0.8
161.04544	3.1
161.09685	3.5
167.03485	2.1
179.10785	100.0
180.11195	0.4
181.08746	3.2
190.10094	0.5
191.05637	0.4
197.11885	2.2
203.05576	0.5
205.12357	20.3
223.09796	11.5
223.13255	0.9
247.13347	0.6
253.05014	0.5
283.11911	0.7
367.17700	1.4
421.18451	0.4
427.19995	0.7
461.12546	0.5
481.20935	0.7
499.22028	7.3
517.22760	0.8
541.23022	22.9
542.23779	0.6
559.24017	14.7
560.24792	0.6
679.33722	1.9
721.34344	5.4
765.33527	16.1
766.33905	0.7
783.34479	4.1
825.35742	26.9
826.35699	2.3
869.45453	34.5
913.48230	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	913.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	0.7
68.99821	1.2
69.03444	0.9
71.01381	33.5
72.13538	0.6
72.99302	2.7
73.02941	19.0
74.77933	0.6
75.00460	0.8
75.00868	18.4
83.01391	5.8
83.05021	1.1
85.02465	1.1
85.02948	21.8
87.00852	6.0
89.02434	14.4
95.01369	6.6
97.02930	0.6
99.00871	23.4
101.02438	21.3
108.02166	1.4
111.00855	0.8
112.01615	0.7
112.07930	0.6
113.02443	23.6
119.03476	1.0
123.04542	0.9
125.01563	0.6
125.02434	2.3
131.03496	2.5
135.11783	3.1
139.00383	1.2
143.03531	0.7
152.01196	4.8
153.09294	1.1
157.01414	4.0
159.78717	0.7
161.04552	3.4
167.03505	5.2
179.10762	24.2
191.83675	0.7
197.11734	0.8
205.12366	3.9
223.09796	2.5
269.04514	1.0
291.56744	0.7
409.31152	1.3
441.33469	1.0
489.35861	1.1
499.21811	2.8
517.23181	1.4
541.23163	1.0
660.24078	0.7
765.33136	3.1
789.13397	0.8
825.35681	4.5
827.43658	0.8
869.45526	100.0
870.45581	7.6
913.30597	1.0
913.48419	25.1
914.49152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05537	2.1
69.03444	0.4
71.01379	3.1
72.99304	0.5
73.02946	1.0
75.00868	0.4
78.97807	0.3
81.03410	0.2
83.01398	0.3
85.02947	3.0
87.00849	0.5
89.02435	2.3
92.12431	0.6
95.01341	0.4
97.02930	0.4
99.00864	1.3
99.04482	0.5
101.02428	1.5
103.00340	0.4
111.00911	0.4
113.01763	0.4
113.02438	3.4
119.03473	0.4
119.08592	0.3
123.08172	1.6
124.05268	2.8
125.02425	1.1
133.10243	2.8
135.11792	12.6
137.09688	2.3
152.01146	0.4
155.03476	0.3
161.04527	0.4
161.09744	2.4
163.11310	1.2
166.03763	0.3
167.03419	0.4
179.10773	100.0
180.11105	2.2
181.08691	3.1
184.19794	0.2
189.12857	1.4
197.11806	2.5
207.13898	2.0
223.09779	10.2
225.14973	0.6
237.48805	0.3
241.10896	0.3
283.11923	1.3
346.97342	0.3
356.46841	0.3
501.23495	7.5
502.23529	0.3
519.24420	6.1
543.24622	1.0
561.25281	2.2
566.96747	0.4
629.91199	0.3
631.12299	0.3
656.39319	0.3
681.34894	9.2
723.36255	0.5
725.34094	1.6
762.75098	0.3
767.34955	8.8
785.35858	4.8
827.37280	11.6
828.37512	1.2
911.49902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.2
67.01901	0.1
71.01383	0.8
80.02668	0.1
81.02996	0.1
81.03455	2.7
81.82539	0.1
83.01385	2.3
85.02952	1.4
89.02411	0.2
92.11738	0.3
93.03451	0.4
95.01381	0.1
95.02493	0.1
95.05011	0.8
97.02934	0.4
99.00854	0.4
99.04523	0.2
101.02465	0.1
107.01411	0.2
108.02168	0.1
109.02944	0.2
110.96113	0.1
111.00858	0.2
113.02460	0.1
119.05022	0.2
119.33028	0.1
121.02906	0.4
123.04517	33.5
123.28644	0.1
124.04835	0.4
125.02430	4.2
129.01981	0.2
131.01328	0.1
135.00893	0.2
135.04507	0.5
137.02441	1.3
137.06042	0.1
139.04005	0.9
147.02975	0.1
147.04472	0.1
149.02437	1.5
149.64714	0.1
151.00374	1.2
151.04008	1.3
153.05602	0.2
163.04012	1.5
165.02029	0.1
165.05585	0.4
166.02705	0.6
167.03494	100.0
168.03842	1.2
175.00354	1.0
179.03493	0.9
180.04344	0.6
181.05080	3.5
191.03511	17.8
192.03828	0.2
193.05061	0.5
197.04526	0.1
198.86694	0.1
205.05104	0.1
205.43153	0.1
206.02234	0.1
208.05141	0.1
209.04567	8.3
221.04578	2.2
224.04698	0.1
233.04503	0.3
252.04410	0.1
253.05077	17.6
254.05438	0.6
353.08792	0.4
371.09869	30.2
372.09982	0.7
415.08670	0.8
415.16083	0.5
441.17917	0.1
652.63232	0.1
673.80249	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	917.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	0.3
69.03459	2.2
71.01392	59.9
72.99306	2.5
73.02954	100.0
74.03287	0.3
75.00870	0.6
81.03460	0.6
83.01399	23.2
85.02966	7.0
87.00890	1.3
89.02454	12.3
95.01380	1.9
97.02943	1.5
98.03751	0.3
99.00880	0.4
99.04507	0.4
101.02444	72.0
102.02791	0.6
111.00895	0.5
113.02455	18.2
119.02753	0.5
119.03509	5.4
121.02959	0.3
125.02424	3.1
127.03975	0.5
129.01898	0.5
131.03493	6.0
134.03770	0.3
143.03502	5.9
147.02998	0.4
149.04561	11.5
150.85056	0.3
155.03513	2.6
161.04565	21.6
203.05574	3.0
221.06685	9.6
226.06677	0.3
234.96075	0.3
239.03439	0.4
240.04254	3.2
268.03787	12.6
269.04358	0.5
282.05399	0.5
283.06122	12.7
428.61462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70189	0.2
71.01379	20.2
72.99292	1.2
73.02940	7.7
73.21394	0.2
75.00872	0.3
77.99814	0.2
83.01374	3.2
83.05015	0.3
84.36755	0.2
85.02948	7.7
87.00867	1.6
87.15544	0.2
89.02437	14.6
91.08455	0.2
95.01365	2.0
96.96003	0.2
97.02944	0.5
99.00852	1.5
101.02433	19.0
109.30392	0.3
111.04486	0.3
113.02444	10.0
119.03486	7.1
123.08104	0.4
125.02477	0.5
129.01907	0.5
131.03514	0.5
143.03511	1.0
149.04527	0.5
159.02998	0.3
161.04521	1.7
163.11267	0.4
171.11816	1.0
174.58653	0.2
179.05608	0.5
189.12889	1.8
205.37704	0.3
207.10251	0.5
219.13945	1.4
233.08348	0.2
237.14925	1.6
263.12823	0.3
282.42029	0.3
313.07098	0.3
335.18707	0.3
387.16647	4.8
397.18814	1.2
425.17871	0.5
443.19193	4.8
467.92798	0.2
485.20337	100.0
486.20633	3.9
652.31226	0.3
686.97925	0.3
744.69019	0.3
842.80176	0.2
896.77472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	0.3
71.01382	10.6
71.05021	0.5
72.99309	0.9
73.02946	1.9
74.32218	0.2
75.00875	0.2
81.03444	0.5
83.01389	2.1
83.05016	1.4
85.02948	19.4
87.00869	9.2
89.02439	13.4
95.01381	1.1
95.04990	0.4
97.02932	1.9
97.06576	0.4
99.00876	0.4
99.04507	4.0
101.02438	8.1
107.08635	0.4
108.02181	0.3
109.06580	0.6
111.00888	2.9
111.04520	0.3
112.76664	0.2
113.02450	5.3
113.06091	0.3
115.00234	0.2
119.03489	2.4
119.08627	3.0
121.02934	0.3
121.06593	0.5
123.04505	1.5
124.05262	0.3
125.02460	0.5
125.06074	0.4
127.04025	1.9
129.01921	3.7
131.03505	0.5
133.10217	2.9
134.03755	4.2
135.08154	2.4
135.11763	1.1
137.06197	0.3
137.09717	15.0
141.05603	1.0
143.03534	1.2
147.02982	1.2
147.08191	0.4
149.04604	0.2
149.06084	1.0
149.09689	0.3
151.11276	0.3
152.01102	1.0
153.05637	1.0
153.09203	0.5
153.12807	0.3
159.11751	2.6
160.01686	0.5
161.04576	1.4
161.09717	5.9
163.07629	5.5
163.11288	0.9
167.03520	3.8
167.10783	0.6
171.02959	0.9
173.00882	1.1
175.03954	1.7
177.09149	0.5
177.12787	0.8
178.02655	0.3
179.05681	2.0
179.10777	8.7
181.08702	14.8
181.10298	0.5
182.02251	0.3
182.09059	0.3
191.01952	1.0
191.10693	0.3
192.04257	0.4
193.05077	4.6
193.12364	0.9
195.10236	1.7
197.04575	1.7
197.11841	61.1
198.12206	1.7
203.10754	0.6
205.08638	1.0
215.01936	0.4
221.11821	2.0
223.09770	13.3
224.10268	0.3
235.06131	0.9
239.12915	0.3
241.10828	52.2
242.11140	1.5
261.07578	0.9
263.18542	0.2
265.08066	0.2
265.10706	2.0
269.04578	1.3
279.04953	0.4
283.11880	31.4
284.12256	0.5
297.06180	0.3
313.12991	3.2
325.13428	0.3
326.87524	0.3
327.07233	0.4
341.11008	1.6
343.14014	21.0
344.14282	0.4
363.12808	0.2
367.06656	0.9
371.06299	0.5
403.16132	57.7
404.16376	2.4
565.21454	100.0
566.21802	6.6
628.05115	0.2
756.71002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.486
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	1.5
69.03450	1.7
71.01381	20.7
72.99303	1.9
73.02940	1.9
75.00867	12.7
83.01377	2.6
85.02945	15.2
86.00071	0.3
87.00877	3.5
89.02438	12.0
91.12501	0.2
95.01384	5.3
97.02943	3.4
99.00871	15.1
101.02438	13.7
111.00880	0.4
111.49825	0.2
112.01653	1.3
113.02446	14.5
113.58951	0.2
115.00381	0.5
119.03473	3.2
125.02437	6.1
129.01955	0.3
131.03473	0.4
139.00305	0.8
143.03502	0.5
147.48186	0.2
157.01471	1.7
161.04570	1.0
167.36699	0.2
255.80220	0.2
294.67969	0.2
459.78247	0.2
568.32324	0.2
583.40051	0.3
653.26538	0.2
672.68713	0.3
694.23785	0.2
747.51459	0.2
821.46594	0.3
921.48596	100.0
922.49005	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	923.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.2
67.01900	0.3
68.99805	0.2
71.01390	1.8
71.55592	0.1
72.99319	0.7
73.02950	0.8
75.00877	0.4
78.31857	0.2
79.08495	0.2
79.27425	0.1
83.01399	4.1
84.02161	1.6
85.02961	100.0
86.03300	0.8
87.00887	0.4
89.03935	0.3
91.01904	1.1
92.12361	0.4
99.00911	0.3
101.02444	1.1
103.00372	0.7
108.02190	2.6
109.02958	0.9
111.00883	12.2
113.47977	0.2
115.00409	0.2
117.03455	1.7
123.00889	0.9
123.04517	6.9
124.01682	0.8
125.02353	0.2
129.01936	31.4
134.03738	19.2
137.02440	0.4
145.01427	0.3
147.03004	11.5
149.06068	2.5
152.01173	2.3
154.99869	0.3
160.01685	1.1
163.04010	0.3
166.02704	1.1
167.03493	13.0
173.00912	11.4
173.02397	0.4
175.03986	2.5
176.04753	0.3
178.02687	1.2
181.05049	0.7
191.01987	7.8
192.04308	0.9
193.05066	18.3
202.02887	0.2
207.06631	2.1
209.03064	2.7
223.37708	0.2
227.88933	0.2
235.06120	4.2
261.07590	1.4
279.05048	0.2
286.74643	0.2
297.06180	7.4
315.07135	0.2
323.04330	0.3
323.07739	1.3
341.05167	8.9
342.05624	0.2
359.06241	4.0
367.06729	14.6
368.07089	0.3
385.07773	3.7
535.11041	9.2
536.11285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00328	1.4
69.03447	1.2
71.01391	13.5
72.99313	0.6
73.02950	15.2
75.00887	0.3
81.03445	1.9
83.01389	7.8
85.02956	3.9
87.00900	0.4
89.02438	3.9
93.03451	1.8
95.01398	1.3
95.04993	0.3
95.64494	0.3
97.02928	1.4
99.00882	0.3
99.73283	0.3
101.02440	16.3
107.01398	3.4
107.05034	1.7
109.02968	1.5
109.06653	0.3
113.02432	5.7
116.51342	0.3
117.03473	0.6
119.03491	1.5
121.02947	1.7
123.04528	0.5
124.01658	0.5
125.02431	76.1
126.02780	1.3
129.01875	0.5
131.03473	1.4
131.05035	0.5
133.02956	1.3
135.04590	0.4
137.02472	0.8
139.04010	1.8
145.03015	0.4
147.08185	0.8
149.02435	7.2
149.04579	0.6
151.00363	20.3
152.01126	3.8
153.01930	7.9
157.06589	0.7
158.03700	0.4
159.04527	0.4
161.04619	1.2
163.00371	1.5
163.11281	36.8
164.11635	0.8
165.01881	1.1
167.03473	1.9
169.06557	0.7
172.05354	0.8
173.06033	4.2
174.66600	0.4
175.03983	0.7
176.01161	2.0
176.47913	0.4
177.01967	0.5
177.05550	1.5
178.99857	14.0
179.01360	0.6
179.03445	3.2
181.06613	0.4
193.01370	0.5
196.05234	0.4
197.06126	1.6
199.03993	0.6
199.07715	1.5
201.05560	2.8
203.03511	0.3
207.10323	1.5
213.05524	0.3
215.07166	4.9
221.06746	0.3
225.05630	4.6
241.05049	3.1
243.06596	5.6
259.06113	75.6
260.06497	3.2
268.03674	0.4
269.04559	60.5
270.04852	2.5
283.06125	1.3
287.05621	28.4
288.05942	0.5
311.05652	1.5
315.07254	0.4
342.05969	1.4
369.15573	1.5
387.16672	6.3
421.11844	0.4
429.17661	98.4
430.17883	5.6
431.09836	2.2
449.10919	100.0
450.11234	5.8
556.23334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41535	0.9
71.01381	24.8
72.72867	0.9
73.02939	13.3
83.01376	9.1
85.02943	7.1
86.06989	1.0
87.00873	1.9
89.02430	16.5
99.00876	1.1
99.04522	1.8
101.02431	23.1
108.02168	39.8
109.02972	1.7
112.02299	0.9
113.02451	13.0
119.03488	7.8
121.02868	1.5
123.04517	20.0
125.02505	2.0
135.08165	1.0
137.09750	2.1
143.03532	1.6
152.01149	100.0
153.01920	1.4
161.04488	1.6
161.09711	6.1
163.07628	1.6
163.11314	10.0
167.03491	82.3
168.03815	1.3
179.10797	3.8
181.08736	4.2
197.11827	1.0
207.10283	20.9
223.09738	1.3
234.34398	1.1
243.30193	1.0
250.62758	1.0
253.04991	3.4
265.10748	1.3
274.06860	1.0
295.32339	1.0
303.57840	1.1
320.34399	1.0
369.15601	9.5
387.16660	30.2
393.15601	1.2
411.16531	1.3
429.17746	13.5
453.17639	4.9
575.25226	1.4
593.25909	7.3
610.51880	1.1
611.27258	14.0
653.28534	2.1
737.30573	1.5
755.31049	12.9
905.34888	4.2
923.35596	80.2
924.36310	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	923.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	1.2
69.03448	1.2
71.01381	25.7
72.99293	3.6
73.02944	7.9
75.00869	15.7
79.02943	0.9
83.01360	2.1
85.02467	1.4
85.02949	28.1
86.00082	3.3
87.00877	11.2
87.04479	3.3
87.78594	0.8
88.33443	0.8
89.02441	7.1
92.11769	1.0
95.01382	2.0
97.02910	0.8
99.00877	17.5
101.02409	5.8
103.03985	1.0
113.02451	21.2
115.04008	4.1
130.03439	0.9
131.03494	12.6
134.94313	0.7
139.00385	1.4
143.03448	6.4
145.05078	0.9
163.06201	1.3
205.07237	5.1
230.14189	0.8
230.16757	1.0
242.91631	0.9
271.03494	0.8
291.83633	0.9
377.28644	1.3
923.46533	100.0
924.48029	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	923.5016
Annotation	CHEBI:62863
Peak:m/z	Relative Intensity
68.99809	2.0
69.03436	0.5
71.01379	27.4
72.99303	3.3
73.02941	8.7
75.00867	10.4
83.01378	5.0
85.02945	18.1
86.00095	0.6
87.00860	6.6
87.04496	2.6
89.02440	9.5
95.01382	5.2
97.02961	0.6
99.00879	12.3
101.02435	14.6
103.04021	4.7
111.00880	0.8
113.02450	13.9
115.00312	0.4
115.04028	3.8
119.03470	2.7
125.02401	0.8
127.35619	0.4
131.03508	5.9
143.03513	7.8
143.73494	0.4
145.05049	0.7
157.01442	0.5
161.04565	2.1
163.06105	2.3
164.00201	0.4
167.38397	0.4
177.96503	0.4
178.72874	0.4
182.23471	0.4
199.94962	0.4
205.07166	5.4
279.18176	0.4
330.67804	0.4
437.34271	7.1
438.34616	0.6
507.38406	3.3
905.49341	2.4
923.50183	100.0
924.50610	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	925.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	31.2
75.00872	6.8
81.11421	2.8
83.24535	2.9
85.02950	25.6
87.00896	5.1
89.02431	16.5
95.01389	3.5
99.00870	12.6
101.02431	14.1
113.02448	18.1
121.19349	3.0
131.03474	12.4
155.16805	3.5
161.04590	6.6
221.06635	4.7
231.84700	3.4
234.12668	3.3
258.02435	3.2
304.16501	3.5
381.85657	3.4
392.01773	3.4
407.33044	4.2
781.40900	3.8
925.48212	100.0
926.49457	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	925.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	39.8
72.99325	3.1
73.02958	3.3
73.94392	2.1
75.00877	26.7
76.57238	1.9
83.01382	2.7
85.02964	26.8
87.00867	8.1
89.02435	27.9
93.33491	2.0
95.01387	5.4
99.00882	28.8
100.05977	2.1
101.02425	30.3
113.02448	27.1
119.03512	9.1
122.08126	2.1
234.15678	2.3
261.00058	2.5
285.09039	2.4
403.06464	2.6
757.18610	2.4
821.47125	100.0
822.47015	10.3
865.45868	12.1
925.48163	98.0
926.48462	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	925.48
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	1.4
71.01386	39.1
72.99294	3.0
73.02928	9.3
75.00860	17.1
77.08054	1.3
83.01360	1.8
85.02953	34.1
87.00869	12.5
87.04507	2.6
89.02448	14.3
95.01371	9.2
96.94521	1.5
99.00874	28.8
101.02442	10.2
112.01616	2.0
113.01823	1.8
113.02457	28.6
115.03976	2.6
131.03497	13.1
141.01953	2.9
143.03467	10.7
157.01447	1.6
205.07213	2.9
223.79480	1.5
242.21825	1.6
488.27570	1.5
510.38226	2.0
765.44843	3.6
793.44250	2.0
795.44330	3.5
855.16333	1.6
893.45593	6.8
894.46204	2.1
907.47131	2.4
925.48071	100.0
925.66516	3.6
926.48328	6.8
956.50171	2.6
957.49896	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	925.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.4
67.61713	0.3
68.99818	1.5
69.03448	0.6
71.01385	30.2
72.99294	2.8
73.02951	7.9
75.00874	14.6
83.01389	2.7
85.02956	27.3
86.00102	2.2
87.00877	11.4
87.04527	3.2
89.02440	9.4
92.37558	0.4
95.01385	4.0
99.00879	16.9
99.04491	0.8
101.02437	6.0
103.04010	3.5
111.00919	0.5
111.75057	0.3
112.01666	1.4
113.02449	24.5
115.03986	4.2
119.03473	1.7
129.01926	1.3
129.64137	0.4
131.02583	0.7
131.03490	12.3
139.00352	0.7
143.03517	9.4
145.05070	2.0
155.96466	0.4
157.01439	1.9
163.06143	1.4
205.07191	6.0
303.70523	0.4
325.37613	0.4
407.29276	0.6
423.32840	2.3
451.32379	0.7
454.02841	0.4
471.34723	1.8
524.93469	0.4
796.47736	0.4
907.46210	0.7
925.48071	100.0
926.48438	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	925.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	0.8
69.03433	0.8
71.01384	28.9
72.99313	3.4
73.02946	8.6
75.00458	0.6
75.00871	12.9
77.75959	0.4
79.12789	0.3
83.01395	2.9
85.02948	26.7
86.00100	2.5
87.00870	10.6
87.04520	3.4
89.02430	7.8
95.01395	3.7
97.02934	0.6
99.00880	15.4
99.04489	0.7
101.02439	6.7
103.03999	2.5
111.00877	0.8
112.01646	0.8
113.02451	19.9
115.04019	5.4
119.03451	0.9
121.02921	1.6
125.02477	0.5
128.03537	0.6
131.03503	15.7
139.00381	0.6
143.03500	9.1
145.05084	1.9
157.01427	2.0
157.06223	0.6
163.06108	2.4
197.04593	2.0
205.07175	5.3
233.14372	0.4
288.21008	0.4
317.19330	0.5
320.09158	1.0
424.00879	0.4
450.55600	0.5
451.32132	0.7
471.34821	0.7
515.33124	0.6
545.42767	0.5
863.49249	0.6
925.48132	100.0
926.48236	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	925.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01872	0.2
68.99832	2.0
69.03458	1.1
70.08034	0.1
71.01384	28.2
71.05013	0.1
72.98986	0.2
72.99312	2.9
73.02534	0.3
73.02949	7.6
73.88006	0.1
75.00873	10.7
76.57288	0.1
81.03437	0.2
83.01383	4.2
83.05019	0.2
85.02952	18.1
86.00092	1.2
86.45349	0.1
87.00872	7.1
87.04510	2.2
89.02444	12.8
92.11750	0.2
93.03449	0.2
95.01385	4.4
97.02949	1.0
99.00880	12.6
99.04549	0.3
101.02442	14.6
103.03362	0.2
103.04012	4.5
109.02968	0.2
111.00896	0.5
111.95000	0.1
112.01656	0.6
113.02452	14.7
115.00376	0.2
115.04018	3.7
118.51096	0.1
119.03490	2.9
125.02428	1.0
127.03995	0.3
129.01910	0.4
131.03503	7.1
139.00369	0.6
143.03508	7.8
145.05081	1.2
157.01395	1.4
161.04547	2.2
163.06139	2.4
175.83554	0.2
205.07198	5.7
233.06618	0.2
247.08208	0.2
283.34912	0.2
389.28497	0.2
408.33527	0.2
423.32748	0.9
439.35913	5.3
440.36209	0.4
441.37570	0.3
509.40033	3.9
537.39838	0.2
553.38953	0.7
570.78705	0.2
599.39807	0.8
617.40186	0.2
867.14111	0.2
867.48676	0.3
868.44647	0.2
892.20123	0.2
907.50732	1.7
925.51794	100.0
926.52063	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	927.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	0.3
67.01899	0.4
68.99802	0.4
69.03437	0.6
71.01376	3.5
71.05019	0.5
71.62594	0.3
72.99301	1.3
73.02950	1.1
81.03455	7.2
83.01387	10.4
83.01881	0.4
83.05010	0.5
84.02174	2.8
85.02950	100.0
86.02748	0.2
86.03278	1.8
87.00874	1.3
89.00342	0.6
95.01358	0.4
97.02943	0.5
99.00875	1.3
99.04510	10.0
106.00636	0.5
109.02959	1.1
109.88856	0.3
111.00882	21.9
117.03468	0.6
118.61297	0.3
119.04965	0.4
121.02951	17.5
123.00880	3.4
124.01662	0.3
125.02490	1.2
127.00377	1.3
127.04013	21.3
129.01939	24.7
130.02306	0.3
130.06607	0.6
132.02216	0.5
133.50784	0.3
134.03738	3.4
135.04594	0.5
136.98811	1.4
137.02472	3.2
137.99626	0.5
138.03226	5.1
139.00362	7.1
139.04051	1.7
147.03017	5.0
147.04552	1.8
149.02443	24.2
151.04031	0.4
152.01167	1.7
153.01938	1.3
153.05574	16.1
154.02687	0.5
154.99883	1.2
155.03476	0.4
160.01619	0.6
161.02423	0.4
163.04021	1.6
164.04799	20.7
165.67584	0.3
166.02740	0.6
166.99811	2.0
167.03545	1.5
169.05115	0.4
171.02989	8.5
173.00897	1.6
174.05679	0.3
175.00362	0.3
175.04054	0.5
177.02016	0.3
177.35606	0.3
178.02802	0.4
179.03514	1.5
179.07100	3.3
181.01404	0.5
181.05101	0.4
182.02196	6.8
189.02089	0.7
189.04091	1.4
190.02705	2.3
191.02007	1.0
191.03540	1.3
193.01465	3.1
193.05040	3.6
194.05884	0.5
196.03754	3.4
197.04567	31.9
198.04889	0.4
202.29788	0.3
203.03551	0.3
204.04306	0.4
205.05074	2.7
206.05959	0.5
207.02988	2.0
208.03812	7.7
215.02022	4.3
217.01465	1.1
219.06677	0.7
222.05331	5.1
223.06140	44.8
224.06512	1.5
232.03784	1.3
233.03009	2.7
237.04065	0.3
237.07701	5.1
240.04239	0.7
250.04878	1.6
261.07843	0.5
263.09277	0.4
265.07190	22.3
266.07458	0.7
268.03848	4.4
275.25064	0.3
277.08380	0.5
279.08878	0.3
283.06165	7.1
291.08762	1.6
309.06213	5.7
327.07242	4.5
353.05142	1.5
367.06802	0.5
369.08289	4.7
371.06323	3.7
385.07840	0.5
389.07190	0.4
395.09845	1.5
397.07806	1.3
413.07349	1.3
431.08469	1.9
439.09000	2.2
457.10132	1.4
478.73761	0.3
561.26086	0.5
577.12024	0.5
827.92249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	80.1
72.11887	4.3
73.02934	9.2
78.95909	9.5
84.42179	4.1
85.02966	24.5
87.00882	33.5
89.02454	94.0
95.01361	4.7
97.02956	6.3
101.02443	100.0
107.22477	4.4
113.02470	59.3
116.33642	4.4
119.03474	24.2
125.02444	8.6
131.03482	6.3
134.43159	4.1
134.89560	4.0
143.03503	28.0
161.04532	21.1
179.05605	49.9
185.43008	4.5
203.05661	7.1
221.06680	27.4
279.23331	37.6
305.08923	4.5
323.09949	5.5
341.11093	5.8
365.10837	6.2
383.12039	58.1
425.13052	5.8
467.14420	9.2
485.15244	7.5
647.20612	87.0
648.21002	5.4
665.21912	36.7
953.60602	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	927.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
65.08344	2.3
69.03426	4.0
70.37168	2.2
71.01384	83.4
72.99299	4.7
73.02935	14.4
74.77200	2.3
75.00870	3.1
81.03431	3.5
83.01394	3.5
85.02963	29.8
87.00872	31.1
89.02438	100.0
93.03410	2.2
95.01360	5.6
95.85915	2.2
96.95982	2.8
97.02930	5.7
99.00842	4.9
101.02437	82.4
109.02898	2.9
113.02439	49.3
113.03165	3.2
113.34123	2.1
115.04032	2.5
119.03447	21.8
125.02412	19.4
131.03497	11.5
143.03493	15.1
161.04526	20.6
168.45468	2.3
179.05606	40.9
203.05624	14.9
221.06709	21.6
235.08133	4.5
279.23349	23.8
341.10898	17.2
383.11987	58.6
397.13550	11.1
425.13281	3.4
467.14066	5.6
485.14993	10.7
645.35022	4.3
647.20544	71.7
665.21747	45.8
927.48816	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	927.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99820	1.9
69.03098	0.1
69.03458	2.4
71.01382	18.3
72.98986	0.1
72.99316	2.0
73.02933	1.0
73.34426	0.1
75.00870	14.2
77.40525	0.1
81.03443	0.2
83.01382	2.1
84.02172	0.2
85.02948	11.7
86.00094	0.6
87.00873	2.6
89.02439	13.6
89.23801	0.1
89.36388	0.1
95.01379	3.4
97.02947	4.3
99.00874	15.3
99.38666	0.1
100.01674	0.1
101.02432	3.4
111.00874	0.7
112.01659	1.1
113.02449	10.6
115.00369	0.6
119.03488	0.2
125.02435	9.1
129.01929	1.0
131.03499	2.0
139.00383	0.8
142.02742	0.2
143.03467	0.3
149.04575	0.6
157.01433	2.7
158.65147	0.1
249.06113	0.1
457.36987	0.2
467.66986	0.2
535.38245	0.2
551.37091	0.1
563.37592	0.2
583.39966	0.9
741.42584	0.5
791.46124	0.7
891.47607	100.0
892.47791	4.9
927.49219	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4956
Annotation	Prenylagaramide B
Peak:m/z	Relative Intensity
68.99795	1.0
71.01379	33.7
72.99287	1.3
73.02940	4.5
75.00867	13.6
83.01366	4.5
85.02945	39.4
86.00077	0.8
87.00851	5.0
89.02432	19.4
95.01386	7.4
99.00867	15.0
101.02426	15.4
112.01654	0.8
113.02435	25.6
119.03483	1.5
131.03499	17.1
139.00351	4.5
149.04573	1.1
157.01408	0.9
161.04602	5.3
191.05602	7.7
221.06668	3.3
927.49591	100.0
928.49976	7.2
942.20465	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01901	0.2
68.99816	1.9
69.03448	0.3
71.01380	21.7
72.99299	2.4
73.02940	2.7
75.00866	13.1
75.01292	0.4
83.01385	2.7
83.05022	0.4
84.02138	0.2
85.02945	15.1
86.00092	1.0
86.17342	0.2
87.00864	4.6
88.27277	0.2
89.02440	12.9
93.74331	0.2
95.01377	5.0
96.96017	0.9
97.02921	0.2
99.00874	14.2
101.02432	16.0
103.34975	0.2
104.38564	0.2
105.15565	0.2
111.00876	0.4
112.01654	0.5
113.02443	15.6
115.00332	0.5
119.03500	3.1
125.02401	0.4
129.01945	0.8
131.03467	2.7
139.00359	1.4
143.03470	0.8
144.63133	0.2
152.01091	0.2
157.01407	1.9
161.04533	1.3
175.04027	0.2
223.41924	0.2
231.43750	0.2
255.06613	0.2
280.34833	0.2
360.34805	0.2
436.60419	0.2
883.43591	3.2
884.43671	0.4
927.49695	100.0
928.49835	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	927.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
74.07618	0.4
78.95910	19.8
90.78655	0.4
122.00125	0.7
140.01190	5.8
140.44769	0.4
152.99567	2.0
182.13647	0.4
196.03821	9.6
197.20764	0.4
203.34030	0.5
214.04906	2.3
238.33971	0.4
255.23312	100.0
256.23596	3.8
317.88992	0.5
326.50977	0.5
452.27856	52.3
453.28314	3.4
927.54950	7.1
928.54987	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
68.30118	0.8
68.79980	0.7
68.99812	1.2
69.03436	0.9
71.01385	34.1
72.99310	1.5
73.02943	9.7
75.00871	16.4
77.89562	0.7
83.01389	6.5
83.05017	0.7
85.02465	1.4
85.02954	34.8
85.03475	1.4
86.00106	1.4
87.00874	9.0
87.04524	1.2
89.02451	5.8
90.84557	0.7
93.03484	1.2
95.01368	1.7
96.95979	0.9
97.02938	0.7
99.00872	15.6
99.04483	0.9
101.02435	5.6
103.03985	1.3
108.78335	0.8
111.00878	1.4
112.01665	1.2
113.02457	16.9
115.04019	3.3
119.03539	1.0
125.02431	1.0
129.01913	1.0
131.03523	9.8
134.47043	1.0
137.02380	1.6
143.03505	6.9
157.01410	0.9
163.06091	1.7
205.07243	3.7
228.78004	0.8
269.04568	1.3
289.50888	0.9
294.51105	0.8
425.34271	1.4
473.36557	3.8
475.37671	1.0
609.96368	0.9
633.40143	1.2
748.04620	0.9
906.88806	1.0
929.51324	100.0
930.51318	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	933.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80910	0.1
73.02947	0.1
73.93806	0.0
83.36079	0.0
85.02963	0.5
91.01859	0.4
99.04491	0.3
101.02445	0.1
107.01411	0.0
108.02179	0.1
111.00874	0.1
117.03477	0.1
119.04968	0.1
121.02849	0.1
123.04548	0.1
125.02457	0.3
127.04063	0.1
129.01906	0.1
132.02168	0.3
133.02942	0.7
134.03763	0.1
135.00887	0.4
151.00389	0.1
153.01990	0.4
167.03511	0.4
169.06552	0.2
180.05872	0.3
181.06627	0.2
183.04573	0.1
193.05089	0.1
195.04520	0.1
196.05304	0.5
197.06134	0.5
198.98770	0.1
208.05322	0.6
209.06119	1.0
211.04083	0.1
223.04044	0.5
224.04796	1.3
225.05548	0.9
227.07442	0.1
237.05609	0.4
240.04123	0.1
249.05461	0.1
251.03574	0.1
252.04309	2.1
253.05089	100.0
253.48166	0.1
254.05417	3.9
255.06586	0.2
267.06616	0.1
268.03845	1.2
269.04568	5.8
270.04889	0.3
275.07257	0.2
281.04584	0.1
295.06131	0.9
319.06046	0.1
399.16495	0.2
431.09921	0.9
457.21320	0.1
466.06271	0.1
475.12906	0.1
501.18759	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	933.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00356	0.4
66.75079	0.3
67.01897	1.5
68.99823	0.4
69.03463	0.3
71.01392	3.1
71.05029	0.6
72.99322	0.6
81.03463	8.3
83.01398	11.0
84.02164	2.8
85.02962	100.0
86.03262	0.5
87.00904	0.4
91.01887	3.0
95.01366	0.7
97.02962	0.4
99.04520	11.0
101.02478	0.4
108.02176	7.4
109.02954	1.8
111.00883	23.2
117.03439	3.3
122.86169	0.4
123.00909	3.8
123.04517	19.2
124.01700	2.6
125.02445	1.6
127.04011	24.8
128.70177	0.3
129.01936	23.4
132.02208	0.5
134.03731	36.3
136.01680	0.9
137.02461	0.9
139.04056	0.5
142.86598	0.3
146.03807	0.4
147.02986	5.2
149.06088	6.2
151.03923	0.4
152.01167	8.3
154.99852	1.6
155.51163	0.4
160.01654	4.6
163.04008	0.6
166.02716	2.9
167.03496	42.3
168.86575	0.5
171.03006	10.8
173.00900	0.9
174.03258	0.8
175.03996	9.1
176.04785	0.4
178.02718	5.8
189.04112	0.8
189.05609	0.8
191.02019	0.7
192.04276	5.2
193.05064	52.7
194.05449	0.7
202.02792	0.5
207.06610	7.8
215.02007	4.4
217.08670	0.6
220.03871	0.8
226.12910	0.4
231.23772	0.4
233.03056	1.5
233.08179	0.5
235.06140	19.3
243.06563	0.4
261.04718	0.4
261.07721	3.2
269.04636	2.0
279.05090	5.2
297.06006	2.7
305.06741	0.5
323.04190	2.0
339.07123	4.0
341.05191	2.4
365.08899	1.7
367.06827	0.6
383.06305	3.0
401.07419	3.1
409.07837	3.5
427.08969	2.4
429.54803	0.4
451.44849	0.5
517.10034	2.1
577.12195	1.6
686.17957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.1
71.01358	0.1
79.11797	0.1
81.03456	2.4
83.01384	1.7
85.02956	0.8
93.03473	0.1
95.05016	0.4
99.04520	0.1
101.02518	0.1
107.01382	0.1
108.02175	0.1
113.02446	0.1
121.02965	0.1
123.04512	24.8
124.04826	0.4
125.02435	4.8
129.01903	0.2
137.02408	0.1
139.03987	0.1
149.02452	0.8
150.03209	0.2
151.00365	1.0
163.04027	0.6
165.05582	0.2
167.03491	100.0
168.03824	1.9
181.05174	0.1
183.17622	0.1
191.03412	0.7
197.04576	0.2
209.04565	1.2
268.03812	0.1
290.93881	0.1
371.09851	17.3
372.10263	0.6
415.08459	0.3
445.03537	0.1
504.59747	0.1
509.28168	0.1
563.49146	0.1
639.52112	0.1
825.37274	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	933.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29964	0.7
71.01380	18.9
72.99292	2.0
73.02952	3.3
73.77004	0.7
75.00869	11.9
75.70849	0.7
77.69060	0.7
80.90798	0.8
83.01388	1.3
85.02947	15.3
86.15253	0.8
87.00874	3.6
89.02427	13.2
92.11690	3.0
94.68104	0.9
95.01400	5.8
98.79800	0.8
99.00871	17.5
99.10216	1.0
101.02435	13.5
112.01588	1.1
113.02444	15.7
119.03490	2.6
122.01649	0.7
134.30473	0.7
157.01376	1.1
161.04570	1.2
170.98953	1.1
201.49693	0.7
253.05042	1.6
279.63675	0.9
287.30923	0.8
308.12946	0.9
717.43219	1.0
821.48096	1.3
897.48657	100.0
898.48853	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	935.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.3
69.35503	0.0
71.01365	0.1
81.03455	2.4
81.03927	0.1
83.01385	1.6
85.02946	0.1
95.05017	0.6
97.02962	0.1
99.04511	0.2
107.01395	0.4
108.02144	0.1
109.02936	0.1
119.05037	0.1
121.02945	0.1
122.03721	0.1
123.04517	24.4
124.04833	0.3
125.02436	5.3
139.04030	0.3
149.02444	0.8
150.03212	0.1
150.86748	0.1
151.00357	1.6
163.03963	0.6
166.02710	0.1
167.03497	100.0
168.03841	1.8
178.75291	0.1
191.03513	0.7
209.04585	1.0
259.06039	0.1
269.01511	0.1
269.04340	0.1
371.09888	15.0
372.10059	0.6
415.09036	0.1
519.24585	0.1
779.29480	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	935.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88095	0.2
67.01888	0.8
68.99811	1.4
69.03449	1.2
71.01381	28.1
72.99304	21.4
73.02943	3.9
75.00869	18.5
83.01389	4.1
84.02171	0.8
85.02949	35.0
87.00865	7.9
87.01392	0.3
89.02439	6.6
90.02020	0.2
95.01376	6.6
97.02950	2.1
99.00878	13.4
101.02432	5.5
103.00364	9.0
103.03993	0.3
105.42288	0.2
111.00890	0.8
112.01694	0.3
113.02443	46.9
114.02760	0.3
115.00359	4.2
116.01148	0.3
117.01938	3.3
125.02418	2.1
129.01915	2.5
131.03496	3.5
133.01411	2.0
139.00378	0.5
157.01405	2.8
159.02931	0.5
163.02512	1.0
163.81816	0.2
175.02466	7.5
193.03540	16.3
224.15178	0.2
235.04604	2.2
254.06862	0.2
261.06311	0.5
263.04031	0.4
289.05716	2.4
307.06784	0.3
333.04684	0.7
351.05740	23.9
352.05838	0.3
496.17938	0.2
606.35010	0.2
759.42883	0.4
861.05603	0.3
935.46552	100.0
936.46771	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	936.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19987	0.3
71.81821	0.3
76.36791	0.3
78.95908	14.0
90.94997	0.3
92.11868	0.5
94.37737	0.3
96.96964	0.7
118.99805	0.3
152.99586	30.5
163.43651	0.4
171.00658	1.6
191.05547	0.3
196.22638	0.3
227.03273	3.1
243.83080	0.3
245.04134	0.5
255.23314	100.0
256.23709	3.7
374.86487	0.3
483.27325	58.7
484.27322	2.5
744.17706	0.3
784.64246	0.3
869.17944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5596
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	12.4
96.96946	1.3
104.03268	0.4
142.31834	0.4
152.99588	30.5
171.00645	1.7
192.38657	0.4
227.03235	3.7
245.04218	0.5
255.23317	100.0
256.23697	4.0
286.57419	0.4
360.44656	0.5
433.41568	0.4
452.27499	0.4
483.27338	61.8
484.27701	2.5
642.19696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99823	2.3
69.03447	1.1
71.01376	23.7
72.99297	2.1
73.02934	3.3
75.00861	14.0
75.12192	0.5
83.01379	1.0
85.02945	18.0
87.00861	5.3
89.02435	15.1
95.01373	5.5
97.02933	3.1
99.00867	19.2
101.02432	13.6
112.01663	0.8
113.02435	17.0
119.03481	2.4
125.02412	7.0
131.03532	0.6
139.00397	1.0
141.01955	1.0
143.03455	0.5
153.10481	0.5
157.01447	0.8
161.04520	1.0
199.06363	0.5
225.52614	0.6
280.20084	0.6
327.06503	0.5
602.12463	0.7
795.45721	1.0
814.98840	0.6
823.44843	1.0
893.46051	1.1
937.48108	100.0
938.48138	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	937.481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01877	0.7
68.99825	7.3
71.01383	25.4
72.99296	3.1
73.02946	2.6
75.00874	19.5
78.95897	0.9
83.01383	2.8
85.02949	35.7
86.00083	0.8
87.00865	1.3
89.02438	14.9
94.56683	0.6
95.01373	3.7
96.99305	0.8
99.00869	18.7
101.02430	3.3
111.00881	4.7
112.01662	1.2
112.98811	2.1
113.02451	25.4
115.00344	0.9
129.01929	16.0
131.03551	1.3
139.00404	0.6
157.01463	2.1
184.07315	0.5
186.37038	0.6
191.05475	0.6
199.69179	0.5
250.92531	0.5
273.12799	0.5
274.47849	0.6
312.59985	0.6
548.84155	0.6
569.38428	0.8
745.42889	0.7
877.45996	40.6
878.46393	3.6
937.48138	100.0
938.48181	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	937.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01855	0.4
68.99751	7.9
69.00156	0.5
69.03412	0.2
71.01311	29.0
71.01939	0.8
72.99237	3.1
72.99684	0.4
73.02873	1.5
75.00797	20.6
78.95850	0.2
83.01395	3.4
84.02099	0.7
84.88943	0.2
85.02962	20.5
85.03437	1.2
86.00019	0.9
87.00878	4.5
89.02449	18.4
89.02952	1.0
95.01398	4.5
96.99244	0.3
99.00883	23.3
99.01804	0.7
99.04470	0.2
101.02440	5.7
101.03410	0.2
111.00885	4.6
112.01653	2.1
112.98706	1.1
113.02453	17.1
113.03217	0.7
115.00283	0.9
116.14162	0.2
119.03360	0.2
129.01935	15.0
131.03508	3.0
139.00359	1.3
149.04451	0.7
157.01440	2.9
191.05482	0.2
241.01439	0.2
249.06021	0.3
323.53891	0.2
549.35779	0.3
569.38269	0.8
727.40942	0.2
747.44293	0.7
787.42792	0.9
877.46027	36.2
878.46216	2.8
906.66626	0.2
937.48138	100.0
938.48370	7.2
959.87457	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99806	1.1
69.03444	1.1
71.01385	26.8
72.99313	2.8
73.02949	8.1
75.00874	11.3
78.95886	0.4
83.01405	2.6
85.02959	23.6
86.00100	2.1
87.00883	9.5
87.04515	3.2
89.02451	7.6
92.12510	0.4
93.82726	0.2
95.01398	4.3
96.50311	0.2
97.02946	0.4
99.00885	14.5
99.04527	0.5
101.01768	0.3
101.02437	5.6
102.65867	0.2
103.04015	2.6
111.00876	0.4
112.01652	1.3
112.16835	0.2
113.02451	18.0
115.00372	0.3
115.04005	5.3
116.92808	0.2
119.03474	0.8
125.02451	0.2
127.03996	0.2
129.01898	0.5
131.03493	12.5
139.00366	1.3
143.03500	9.6
145.05086	1.8
148.70097	0.2
157.01451	1.4
163.06142	1.8
205.07214	4.7
258.74548	0.3
451.36295	0.2
463.36154	0.9
483.38644	0.5
539.15503	0.2
603.11786	0.2
641.40448	0.4
703.61829	0.3
919.50653	1.0
937.51752	100.0
938.51831	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	937.518
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75029	0.4
68.99801	0.8
69.03483	0.4
71.01382	21.2
72.99298	2.0
73.02944	7.3
75.00868	13.2
78.95879	0.6
80.73949	0.3
83.01372	3.1
84.02158	0.5
85.02947	27.4
86.00091	1.7
87.00871	5.7
87.04503	2.6
89.02437	5.5
95.01385	3.5
97.02892	0.5
99.00867	13.8
101.02439	4.4
103.04008	1.6
112.01668	1.5
113.02448	21.4
115.04001	4.0
116.92842	0.6
119.03439	0.5
131.03496	9.6
139.00365	1.5
143.03506	6.8
145.04980	1.2
157.01447	0.9
163.06084	0.9
183.70358	0.4
205.07230	2.8
241.01456	0.4
463.35840	1.5
464.49963	0.4
483.38361	1.8
894.71582	0.5
895.70074	0.5
919.51324	0.5
937.51764	100.0
938.52838	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	937.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01553	0.3
68.99828	1.7
69.03456	0.7
71.01382	29.4
72.99302	3.0
73.02944	8.2
75.00868	15.0
83.01384	2.9
84.86797	0.4
85.02947	26.1
86.00095	2.3
87.00874	11.7
87.04525	2.9
89.02437	10.2
90.65998	0.4
92.11680	0.9
95.01379	4.7
99.00876	17.5
101.02432	7.0
103.04017	2.5
108.42115	0.4
111.00906	0.5
111.64645	0.4
112.01659	0.8
113.02446	21.1
113.03236	0.7
115.04021	5.6
117.01829	0.4
119.03512	1.5
119.42557	0.4
125.02347	0.5
131.03494	11.6
143.03497	8.9
145.05058	2.1
157.01418	1.9
163.06134	2.2
205.07162	4.8
247.07994	0.5
361.66815	0.4
370.21332	0.5
389.64276	0.5
393.68500	0.5
463.35812	1.8
846.50488	0.5
863.44489	0.7
897.48651	0.7
898.48785	0.9
899.49896	3.9
919.47296	3.8
920.49158	0.7
937.51654	100.0
938.51691	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	939.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00312	0.5
67.01879	0.6
68.99807	0.4
71.01372	3.6
71.05013	1.4
72.99301	0.6
73.02941	0.4
81.03456	9.9
83.01382	11.7
83.05017	0.4
84.02155	3.6
85.02946	100.0
86.03304	0.4
87.00883	0.6
89.03961	1.5
91.01874	3.9
92.11710	0.4
93.27151	0.3
95.01348	0.5
97.02960	0.8
99.04507	16.4
108.02175	7.4
109.02930	1.9
111.00874	27.9
111.96710	0.3
117.03449	6.2
119.05096	0.3
121.02917	0.6
123.00880	3.4
123.04515	22.3
124.01657	2.2
125.02425	0.8
127.04002	43.7
129.01930	26.8
134.03731	62.2
135.04076	0.6
136.01613	0.6
137.02391	2.6
147.03020	5.2
149.06084	9.9
151.00352	0.5
151.04030	0.8
152.01149	10.1
154.99840	1.9
160.01651	4.6
163.03833	0.4
164.04745	0.7
166.02647	3.0
167.03485	55.7
168.03816	0.6
171.01569	0.7
171.02988	13.7
173.00883	2.2
174.03215	0.8
175.03986	6.9
176.04773	0.5
178.02711	10.8
180.51074	0.3
186.30052	0.3
189.04002	1.5
189.05620	0.6
189.52156	0.3
191.01999	1.2
192.04263	4.6
193.05057	80.6
194.05350	0.7
202.02600	0.5
207.03079	0.4
207.04982	0.5
207.06645	6.0
215.02023	5.1
218.05844	0.6
220.03825	0.6
229.04486	0.3
233.02956	2.7
235.06110	16.1
253.05127	0.7
261.07687	4.1
279.04987	4.1
297.06171	3.2
305.06631	0.7
323.04086	2.1
339.07300	5.5
341.05096	2.3
365.08661	3.4
367.06631	0.4
383.06171	4.1
401.07196	3.2
409.07840	4.9
427.08817	1.8
517.09552	0.6
577.11603	0.6
682.46259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99831	6.1
71.01393	31.5
72.99303	3.9
73.02946	2.2
75.00883	21.4
76.25945	0.4
78.95921	1.6
83.01395	4.6
85.02962	21.7
86.00108	1.0
86.03335	0.7
87.00861	5.0
89.02451	21.7
90.02759	0.4
90.80014	0.4
92.66492	0.5
95.01393	5.2
99.00882	30.0
100.01207	0.8
101.01359	0.6
101.02440	17.4
102.02795	0.5
111.00901	1.0
112.01672	2.0
113.02454	21.0
114.02776	0.9
115.00340	0.8
129.01921	0.9
131.03496	4.1
139.00400	1.8
141.01971	4.4
143.03596	0.7
157.01381	3.7
171.10262	0.5
235.47601	0.5
241.01256	0.8
585.37646	0.8
771.59424	0.5
797.45850	1.8
824.44672	1.6
825.44568	4.1
849.46460	45.8
850.47101	4.3
938.48560	2.1
939.49530	100.0
940.50037	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	939.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
65.06388	0.2
68.99809	1.8
69.03456	0.5
71.01379	28.0
72.99296	2.4
73.02937	8.6
75.00451	0.5
75.00866	12.6
81.03447	0.3
83.01382	3.6
84.02174	0.3
84.86472	0.3
85.02946	26.9
86.00078	2.4
87.00867	9.3
87.04511	3.1
89.02432	9.2
95.01365	5.9
96.92340	0.2
97.02946	0.5
97.63381	0.2
99.00867	15.5
99.04527	0.3
101.02432	14.2
102.42236	0.2
103.03993	2.4
109.02914	0.3
111.00838	0.5
112.01654	1.3
113.02441	21.0
115.00324	0.4
115.04001	4.1
119.03448	3.0
125.02420	1.0
127.03989	0.4
129.01930	0.4
131.03493	7.8
139.00377	1.8
141.01886	0.3
143.03499	9.2
145.05074	1.5
157.01430	2.0
161.04526	1.1
163.06084	2.5
186.37877	0.3
192.06898	0.3
205.07153	4.3
322.89801	0.3
391.30072	2.9
407.33328	4.1
423.32986	0.3
435.32730	1.1
442.58887	0.3
455.35339	1.5
613.37012	0.5
914.21082	0.3
921.48199	0.6
939.49597	100.0
940.49670	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	939.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23881	0.8
66.26190	1.0
68.99804	6.6
71.01378	31.9
72.99305	2.2
73.02930	1.5
75.00863	21.5
78.95875	2.3
83.01382	2.4
85.02460	1.6
85.02941	25.9
87.00854	4.5
89.02435	19.8
95.01358	5.2
99.00878	22.4
101.02424	14.5
111.00912	1.1
112.01684	1.5
113.02436	20.2
120.46538	1.0
129.01888	1.4
131.03456	5.1
136.63512	1.0
157.01372	3.8
171.10289	1.5
329.23282	1.8
372.45187	1.1
404.08890	1.0
509.36224	1.3
541.39380	1.1
652.28766	1.1
849.46399	45.2
850.46008	1.4
939.49652	100.0
940.50244	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	939.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52259	0.2
68.99800	1.2
69.03439	0.4
71.01378	23.6
72.99307	2.2
73.02941	7.0
75.00459	0.4
75.00868	10.4
80.79376	0.2
81.03407	0.2
83.01369	3.6
84.02142	0.3
84.47610	0.2
85.02944	20.9
86.00082	1.4
86.19756	0.2
87.00870	8.0
87.04503	2.4
89.02437	10.2
91.13920	0.2
95.01376	4.9
95.20197	0.2
97.02892	0.3
99.00868	12.0
99.04468	0.3
101.02432	13.2
102.15804	0.2
103.03999	3.6
109.02921	0.3
111.00843	0.2
112.01632	1.1
113.02441	17.2
115.00339	0.4
115.04003	3.7
119.03487	2.5
125.02419	0.3
127.04032	0.2
131.03482	6.5
139.00334	1.9
143.03493	7.4
145.05048	1.4
157.01454	1.8
161.04544	2.4
163.06108	2.6
177.55084	0.2
205.07164	5.4
239.02467	0.2
375.26776	0.2
391.30072	2.4
402.59769	0.3
407.33139	3.0
435.32516	1.0
455.35529	1.2
499.34698	0.3
613.37823	0.5
634.32404	0.3
856.65894	0.3
874.48358	0.3
877.51294	0.3
921.48816	0.9
939.49652	100.0
940.49847	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	939.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	27.2
72.99307	2.4
73.02944	4.9
75.00886	9.8
77.93923	0.9
78.95895	2.4
83.01396	2.0
85.02957	20.3
85.96769	0.9
86.00118	1.3
87.00875	5.9
87.04476	1.0
89.02438	10.3
91.30461	1.0
95.01357	4.5
99.00884	17.3
101.02448	13.7
111.78180	1.0
113.02447	15.9
119.03446	1.5
125.02422	1.1
131.03488	6.9
143.03503	5.9
145.05101	1.4
157.01485	2.0
161.04565	2.3
163.06047	1.0
205.07230	1.5
360.35431	1.4
486.53217	1.1
521.33905	1.2
613.37048	1.4
793.44153	1.8
794.44525	1.5
849.47516	1.4
939.49762	100.0
940.49921	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	939.4966
Annotation	Cephalostatin 14
Peak:m/z	Relative Intensity
68.99808	1.1
71.01379	18.5
72.99304	1.8
73.02938	6.0
75.00871	8.9
81.50101	0.5
83.01371	3.0
85.02941	12.9
87.00868	2.9
89.02434	10.4
95.01375	4.5
99.00871	19.0
99.04533	1.0
101.02426	14.1
101.91778	0.4
112.01668	0.9
113.02441	11.9
115.00346	0.4
119.03478	1.8
129.01820	0.5
143.03468	0.5
148.90532	0.4
157.01450	0.9
161.04565	0.6
168.02272	0.4
185.53214	0.4
737.00555	0.5
784.31891	0.6
821.46655	3.7
895.46777	2.0
939.49658	100.0
940.49811	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	939.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01093	0.4
66.16647	0.4
68.99831	0.7
69.03442	0.7
71.01381	27.8
72.99306	2.4
73.02943	8.5
75.00871	12.4
78.95883	0.7
83.01382	2.9
85.02949	24.3
86.00089	2.1
87.00874	8.7
87.04512	3.4
89.02439	8.2
95.01375	3.6
97.03040	0.5
99.00876	13.5
101.02443	4.8
103.04007	2.5
112.01650	1.5
113.02444	19.3
115.00379	0.6
115.03989	3.8
119.03481	0.8
122.96107	0.4
131.03481	11.6
139.00389	0.9
142.89218	0.4
143.03517	8.6
145.05008	2.1
157.01448	0.8
163.06128	1.8
205.07162	4.4
301.85886	0.4
439.92270	0.5
465.34177	0.6
485.36737	0.7
497.51932	0.4
535.27380	0.5
643.39648	0.6
659.88855	0.5
759.43549	2.1
939.49695	100.0
940.49854	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	939.4967
Annotation	Cephalostatin 14
Peak:m/z	Relative Intensity
67.01905	0.3
68.99817	1.5
69.03439	0.4
70.36100	0.2
71.01391	22.4
72.99319	2.8
73.02958	2.0
75.00453	0.5
75.00879	13.2
78.95899	0.3
83.01394	2.4
84.02169	0.3
85.02962	14.0
85.03476	0.6
86.00125	0.5
87.00880	4.1
89.02448	11.0
93.85963	0.2
95.01385	4.8
96.99297	1.0
99.00883	13.5
101.02437	12.8
106.01333	0.3
111.00883	2.7
112.01674	1.2
113.02445	13.5
113.49699	0.2
115.00343	0.3
115.78273	0.2
117.19117	0.2
119.03490	2.6
129.01935	2.6
131.03506	0.5
134.50407	0.2
135.00859	0.2
137.13402	0.2
139.00374	1.3
143.03482	1.2
157.01428	1.5
161.04526	0.9
382.89536	0.3
391.30109	0.4
457.37466	0.3
548.69733	0.2
877.45795	0.9
939.49646	100.0
940.49817	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	939.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99806	1.4
71.01382	19.3
72.99296	2.7
73.02940	1.9
75.00867	11.8
83.01394	2.5
85.02946	14.3
87.00867	4.3
89.02438	11.8
95.01389	4.4
96.99316	0.6
99.00871	12.9
101.01772	0.5
101.02440	14.8
107.04379	0.4
110.08021	0.3
111.00879	3.1
112.01678	0.5
112.39846	0.3
113.01655	0.4
113.02437	12.2
119.03477	2.3
119.37431	0.3
125.75490	0.4
129.01961	3.1
129.02721	0.4
131.03481	0.5
135.62480	0.3
139.00343	0.5
143.03539	1.5
157.01466	0.7
161.04555	1.5
179.05608	0.4
200.52104	0.3
212.85867	0.4
274.05200	0.4
359.52020	0.4
459.60205	0.3
647.20264	0.7
759.43439	0.5
892.92664	0.4
939.49689	100.0
940.49750	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	939.6432
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00343	0.5
71.01392	1.4
75.00841	0.4
75.59039	0.3
81.68657	0.4
82.24931	0.4
83.01384	0.5
83.05038	0.8
85.02954	1.4
86.44585	0.3
87.00875	0.3
88.81105	0.3
92.12390	0.4
93.03442	0.4
99.00867	0.3
101.02439	0.6
107.01379	0.5
113.02423	0.6
119.05003	1.9
121.02915	0.4
124.24835	0.4
125.02417	0.4
129.01958	0.4
131.28064	0.3
151.00336	3.2
152.00902	0.4
164.01085	0.3
165.82854	0.3
185.01907	0.3
220.50829	0.3
224.17696	0.3
269.04578	1.4
271.06125	5.4
272.06436	0.6
383.67133	0.4
405.98254	0.3
428.75143	0.4
475.12479	2.6
903.66913	2.9
939.64276	100.0
940.64423	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	941.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
67.69566	0.2
68.99811	2.0
69.03444	0.7
69.97643	0.3
71.01382	24.0
72.03806	0.3
72.99309	3.0
73.02947	6.6
75.00450	0.5
75.00871	11.2
76.23007	0.3
77.85126	0.3
83.01389	3.2
85.02949	21.1
86.00086	1.9
87.00867	8.5
87.04501	2.5
89.02441	5.5
95.01379	4.7
97.02944	0.6
99.00226	0.6
99.00877	19.5
99.04508	0.6
101.02428	5.9
103.03996	1.8
108.43388	0.3
111.00902	0.6
112.01659	1.7
113.02447	16.7
115.00298	0.4
115.03983	3.6
119.03510	1.3
124.55626	0.3
131.03484	8.2
134.83902	0.3
139.00398	1.2
143.03511	7.9
145.05096	1.1
157.01445	2.0
163.06139	1.3
190.02802	0.3
205.07175	4.1
307.76364	0.3
323.23883	0.6
411.32700	1.2
439.32156	1.7
459.34927	3.7
485.31964	0.4
487.34277	4.5
501.36270	0.7
569.34741	0.4
573.38031	3.2
601.37671	4.9
617.37274	2.0
619.38519	0.6
645.36523	5.0
704.31915	0.4
879.47925	0.7
923.47192	0.7
941.48077	100.0
942.47559	5.2
943.46899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99802	1.2
69.03445	0.4
71.01376	19.9
72.37994	0.2
72.99314	1.8
73.02943	6.8
75.00452	0.4
75.00865	9.3
81.03446	0.4
83.01376	2.7
84.02177	0.3
85.02944	19.2
86.00092	2.1
87.00865	7.3
87.04494	1.6
89.02433	9.0
92.12469	0.5
95.01365	4.2
97.02916	0.9
97.07891	0.2
99.00872	11.1
99.04474	0.3
101.02431	10.4
103.04002	3.1
111.00869	0.3
112.01641	1.2
113.02448	13.7
115.00357	0.4
115.03989	3.9
119.03486	2.3
125.02397	0.3
127.04007	0.4
129.01947	0.2
131.03491	5.0
139.00363	1.2
143.03505	6.5
145.05051	1.0
157.01439	1.0
161.04579	1.8
163.06120	2.3
205.07172	4.4
209.61081	0.2
247.08252	0.3
280.48114	0.2
407.33609	0.3
427.35574	0.2
437.34454	0.3
457.36911	0.4
615.38623	0.5
923.50458	1.1
941.51154	100.0
942.51172	5.0
950.48395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	30.4
72.99303	1.7
73.02934	7.5
75.00865	12.2
83.01379	2.0
85.02950	21.5
87.00888	8.7
87.04506	1.7
89.02448	13.0
94.40040	1.0
95.01390	6.4
97.02938	1.3
99.00881	15.2
101.02438	14.7
103.03993	1.5
112.01614	1.1
113.02460	17.9
115.04025	3.5
119.03486	2.3
129.01903	1.1
131.03505	5.5
143.03487	9.3
161.04521	1.5
163.06142	1.5
196.05132	1.1
203.77855	0.9
205.07277	6.9
225.05746	1.0
246.34483	0.9
253.05078	81.4
254.05455	5.7
306.34650	1.0
362.39337	1.0
941.51166	100.0
942.51044	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	943.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01876	0.3
68.99819	0.5
71.01392	3.2
72.99313	2.1
73.02946	1.4
75.00892	0.4
83.01390	5.3
84.02172	1.5
85.02949	100.0
86.03305	0.6
87.00861	0.5
101.02436	2.0
111.00881	15.2
121.02949	38.2
123.00876	0.9
125.02404	2.7
127.00397	0.4
128.03575	0.4
129.01932	38.4
133.06593	2.2
135.04559	1.5
137.02484	0.4
138.03244	2.2
139.00395	2.1
139.04036	0.6
147.02992	9.1
149.02454	0.5
151.00426	0.5
153.01883	0.5
153.05589	7.9
154.99876	0.5
161.06091	1.9
166.99747	0.5
173.00903	12.4
173.02379	0.7
173.06114	0.4
178.99762	0.4
182.00735	0.4
182.02199	3.0
189.05582	2.4
191.02037	1.8
196.03848	0.8
197.04561	16.3
211.06075	0.4
222.05399	2.0
237.07747	1.6
250.04866	0.6
251.05600	4.3
259.06113	1.7
265.07272	4.4
269.04575	2.1
273.09790	0.3
287.05807	0.6
295.04593	14.3
295.07709	0.7
309.06247	0.4
313.05627	2.9
327.07236	9.7
353.05179	0.6
371.06210	5.9
449.11081	2.1
449.20398	0.7
493.09949	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	943.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	6.2
72.99317	0.3
73.02945	0.6
75.10535	0.1
80.13697	0.1
81.03494	0.1
83.01385	0.8
85.02950	4.8
86.67621	0.1
87.00864	0.3
87.97933	0.1
89.01892	0.3
89.02441	7.2
89.91100	0.1
91.01857	0.3
95.01382	0.5
97.02921	0.2
99.00872	0.1
99.04506	0.1
101.02436	5.3
106.92259	0.1
109.02946	0.7
111.00874	0.2
113.02445	3.0
119.03490	3.1
121.02932	0.3
122.03764	0.3
123.04496	0.3
125.02482	0.2
127.03961	0.2
129.01926	0.9
133.02927	0.3
135.00867	0.2
136.05310	0.2
137.06079	0.7
139.07642	0.9
148.41039	0.1
149.04608	0.1
149.06071	0.2
151.07564	0.1
161.04564	0.3
163.07719	0.1
164.04865	0.2
167.03493	0.6
173.00900	0.3
179.05560	0.3
180.05856	0.2
197.04483	0.2
197.06157	0.7
205.12379	2.1
208.05370	0.6
209.06120	0.9
217.12355	1.0
223.03995	0.2
224.04846	1.1
225.05656	1.0
235.13402	0.3
252.04225	1.4
253.05096	100.0
254.05406	4.2
330.13278	2.8
331.13943	0.8
339.08728	0.2
353.10345	0.5
394.04324	0.2
397.09540	0.6
397.18521	1.5
441.17719	32.1
442.17917	1.6
677.21204	0.2
945.15338	0.1
963.04755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
67.13151	0.1
68.30442	0.2
71.01019	0.1
71.01375	1.5
72.69345	0.2
73.02946	0.3
75.00847	0.7
77.82477	0.2
85.02946	1.1
89.02436	0.2
91.01870	0.3
96.95997	0.9
99.00864	0.9
101.02422	0.9
113.02447	1.2
132.02136	0.2
133.02936	0.7
135.00870	0.3
141.01859	0.2
153.01868	0.3
161.04573	0.3
196.05310	0.4
197.06113	0.6
208.05342	0.3
209.06073	1.4
223.04002	0.7
224.04745	1.7
225.05571	0.8
252.04178	0.2
253.05077	100.0
254.05380	4.4
279.23389	0.3
362.57275	0.2
441.28815	0.3
459.29843	0.4
483.29605	0.7
501.30902	3.0
502.31186	0.3
611.80640	0.2
721.51105	0.2
731.92828	0.2
771.60657	0.2
851.18713	0.2
852.69934	0.2
870.39893	0.2
892.63824	0.2
907.46991	1.2
942.51190	0.3
943.51013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60751	0.4
68.99834	0.8
69.67834	0.4
71.01383	24.3
72.04421	0.4
72.99300	1.0
73.02947	7.4
75.00871	10.4
78.77999	0.4
83.01393	3.3
84.02229	0.4
85.02953	16.9
86.00090	1.6
87.00878	8.0
87.04507	2.4
89.02445	8.1
95.01387	3.1
97.02940	0.7
97.95197	0.5
99.00886	10.5
99.31552	0.5
101.02444	13.8
103.04012	3.1
113.02453	13.7
115.03995	1.8
118.48113	0.5
119.03486	2.6
131.03513	5.7
143.03506	7.2
150.69052	0.4
157.01382	0.7
161.04558	1.0
163.06140	2.1
203.55237	0.5
205.07173	5.0
385.30927	0.6
387.32828	0.5
452.74707	0.5
457.36920	6.2
459.38608	0.9
527.41193	2.8
655.53790	0.5
727.27325	0.5
925.51373	1.8
943.52753	100.0
944.53156	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	944.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36523	0.1
79.95332	0.2
79.95752	0.9
85.02948	1.1
96.96001	63.5
97.06607	0.4
108.65369	0.2
112.11837	0.2
135.08136	0.7
147.08144	1.2
155.02698	0.2
163.11305	0.3
165.09164	0.6
167.03505	0.3
225.11342	24.0
226.11668	0.3
268.02670	0.2
305.07037	100.0
306.07336	2.5
307.06931	0.2
314.48798	0.2
338.67206	0.2
389.07098	0.2
491.27386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99810	0.6
69.03445	0.3
70.20464	0.3
71.01382	15.7
72.99299	1.5
73.02948	5.3
75.00870	10.0
83.01385	2.0
85.02946	22.8
85.74797	0.3
86.00093	1.3
87.00877	6.0
87.04507	1.7
89.02434	5.3
95.01393	2.5
99.00879	9.8
103.04019	1.7
111.00842	0.4
112.01671	1.2
113.02449	21.5
115.04013	2.7
119.03480	1.3
129.01987	0.4
131.03493	7.0
133.29338	0.3
137.61952	0.3
139.00404	0.7
143.03502	7.0
145.05106	1.1
149.06177	0.3
157.01447	1.8
163.06105	1.9
165.09254	0.5
174.10149	0.3
181.07405	0.3
205.07176	3.5
247.08080	0.3
285.32861	0.3
375.26816	0.5
391.30338	2.6
407.33246	4.3
424.72559	0.3
435.32700	0.6
444.05191	0.4
455.35373	2.6
462.35159	0.3
499.34338	1.2
613.38135	0.5
638.53705	0.3
653.42859	0.6
799.33264	0.4
909.48633	100.0
910.48914	11.5
945.49097	0.4
977.09357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	0.1
68.99812	0.9
69.03457	0.6
71.01380	19.6
72.99311	1.7
73.02942	5.6
75.00870	9.5
83.01386	1.7
84.02161	0.2
85.02948	18.0
86.00079	1.4
87.00868	7.5
87.04512	2.7
89.02438	6.3
92.11730	0.3
95.01377	2.6
97.02951	0.4
99.00874	10.8
99.04536	0.2
100.01242	0.1
101.02440	4.8
103.04003	2.3
109.45732	0.1
111.00887	0.6
111.65994	0.1
112.01675	1.4
113.02443	14.3
114.02766	0.1
115.00371	0.2
115.04001	4.8
115.04781	0.2
119.03509	0.8
125.02482	0.2
127.04043	0.2
129.01910	0.2
131.03491	10.3
132.03746	0.1
139.00392	1.4
143.03496	8.9
145.05057	1.4
147.46837	0.1
149.04559	0.1
157.01416	2.0
161.04617	0.2
163.06110	2.5
163.07381	0.1
179.07359	0.1
191.05542	0.1
205.07181	6.8
247.08226	0.5
303.79868	0.1
361.52521	0.1
391.30179	0.5
407.33600	0.1
409.35190	0.1
425.34479	0.2
437.34238	0.7
457.36856	1.1
501.35815	0.2
553.39520	0.1
615.39240	1.0
666.93427	0.1
795.45459	0.5
893.49188	0.2
911.50208	100.0
912.50543	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	947.478
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99817	0.4
71.01382	18.8
71.04993	0.3
72.99305	1.9
73.02936	4.5
75.00462	0.4
75.00872	10.0
83.01377	1.5
84.02131	0.3
85.02948	24.5
86.00082	1.2
87.00869	5.7
87.04501	1.6
87.19075	0.2
89.02439	5.5
95.01386	3.1
97.02990	0.3
99.00877	12.2
99.04502	0.4
101.02446	3.2
103.04024	2.2
106.00231	0.2
111.00868	1.0
112.01653	1.1
112.25292	0.3
113.02448	23.3
114.02763	0.3
115.00349	0.5
115.04000	3.1
119.03462	0.4
129.02011	0.3
130.05635	0.3
131.03488	8.3
139.00299	1.8
143.03502	7.4
145.05092	1.4
157.01471	2.1
163.06108	2.5
205.07196	4.3
219.66904	0.3
220.50198	0.2
391.30060	0.4
407.33154	0.4
437.34442	0.6
457.37018	2.2
501.36084	0.5
573.36243	0.3
893.49158	0.4
911.50214	100.0
912.50494	14.5
941.51129	1.0
946.50922	0.3
947.51642	0.4
953.47656	1.1
970.53497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.6112
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95897	13.8
81.11561	0.1
84.37173	0.1
85.11810	0.1
92.12368	0.1
101.57998	0.1
104.97475	0.1
119.18175	0.1
122.00117	0.7
122.98568	0.1
134.98534	0.2
140.01183	5.6
152.99580	1.7
156.70782	0.1
166.02681	0.2
179.12956	0.1
196.03802	9.5
197.04173	0.1
214.04880	2.0
228.33929	0.1
237.22350	0.1
255.23305	100.0
256.23630	2.7
406.40729	0.1
452.27875	55.3
453.28137	1.9
518.42767	0.1
955.36499	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01743	0.1
68.99821	0.1
71.01388	0.2
81.03458	0.3
83.01382	7.2
85.02946	3.2
87.00849	0.2
93.03448	5.3
95.01395	0.1
105.15502	0.1
107.01386	17.6
108.99304	0.3
109.02955	0.2
111.00854	0.9
111.01552	0.2
117.03465	0.9
119.05014	36.0
120.05369	0.2
121.02944	1.9
123.04505	0.2
125.02441	4.0
128.30815	0.1
129.01913	1.5
133.02921	0.5
134.03793	0.1
137.02444	0.8
143.05014	1.2
145.02950	4.8
149.02399	1.4
151.00369	74.2
152.00702	1.0
153.01944	0.2
157.06573	0.5
161.06062	1.1
164.01158	0.2
164.04813	0.3
165.01917	6.3
167.03497	0.7
167.04816	0.2
169.01419	6.5
171.03088	0.2
173.00922	0.7
177.01935	6.1
180.36546	0.1
181.06612	0.2
184.05296	0.2
185.06064	2.7
187.04001	3.2
193.01434	0.8
193.05107	0.2
196.00269	0.1
197.04523	0.2
199.07611	0.3
203.07246	0.3
209.06091	0.6
223.06099	0.2
225.05496	0.2
227.07193	3.6
229.05046	0.3
251.05489	0.6
253.05096	1.1
256.91406	0.2
267.06537	0.2
268.03812	0.8
269.04541	2.5
270.05264	0.3
271.06137	100.0
272.06467	2.7
295.04407	0.2
313.06067	0.2
355.06689	4.5
367.95526	0.1
417.98648	0.1
431.09564	0.3
433.11349	1.3
459.22137	0.1
475.12509	55.1
476.12750	2.1
519.11407	1.0
896.55267	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99839	0.3
69.72478	0.2
71.01395	2.0
72.99312	0.3
73.02956	1.0
75.00862	0.3
81.03497	0.3
83.01397	4.8
83.04630	0.1
84.02182	2.2
85.02962	100.0
86.03304	0.9
87.00880	0.8
89.03989	0.3
91.01893	1.7
93.03479	0.3
95.01367	0.2
97.02950	0.2
99.00869	0.2
101.02449	1.0
103.00389	0.8
107.01414	0.8
107.04993	0.2
108.02180	2.8
109.02982	1.2
111.00887	11.8
115.00392	0.3
117.03480	2.1
121.02956	1.0
123.00903	0.4
123.04520	7.7
124.01693	1.2
125.02442	10.9
129.01942	40.8
131.05043	0.2
133.02975	0.4
134.03738	18.4
134.42839	0.2
135.04526	0.7
137.02460	1.1
139.04053	0.2
145.01404	0.3
147.03004	10.3
149.02475	1.1
149.06096	2.7
151.00366	3.2
151.92905	0.2
152.01158	3.2
153.01965	1.9
154.99815	0.3
158.03720	0.2
160.01671	1.9
161.02422	0.3
165.01935	3.1
166.02686	0.7
167.03499	17.7
169.01520	0.2
173.00914	12.4
173.06078	0.7
174.03267	0.3
175.04004	3.5
176.01016	0.2
178.02710	1.6
178.99826	1.8
179.03479	0.6
181.05084	0.6
189.05583	0.3
191.01982	7.0
191.03679	0.3
192.04346	1.1
193.05070	18.7
194.05441	0.2
197.06157	0.2
197.74911	0.2
201.05672	0.2
207.06630	1.4
209.03035	1.7
215.07227	0.7
218.05911	0.2
220.03860	0.3
225.05600	0.4
233.08232	0.2
235.06146	4.0
241.05043	0.3
243.06625	1.1
259.06131	11.2
261.07697	1.6
269.04593	9.7
270.04947	0.2
279.05157	0.3
287.05658	3.9
287.10205	0.2
297.06180	8.1
323.04065	0.6
323.07791	2.3
341.05164	11.2
342.05676	0.2
359.06247	5.8
367.06732	10.8
368.06964	0.3
385.07748	5.2
415.08551	0.2
431.19312	0.3
449.11050	0.3
463.12277	0.2
473.10733	0.8
491.11987	13.6
492.12128	0.3
535.11066	6.9
536.10999	0.7
782.11578	0.2
818.51849	0.2
891.16632	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99811	0.1
71.01390	0.7
72.11948	0.1
73.02951	0.5
73.03320	0.1
83.01385	0.6
85.02966	0.4
87.04498	0.1
89.02429	0.1
91.01892	0.4
93.03473	0.6
101.02434	0.7
107.01392	1.4
111.00826	0.1
113.02462	0.3
119.03575	0.1
119.05017	2.7
121.02969	0.1
125.02440	0.2
132.02179	0.4
133.02934	1.8
133.71321	0.1
135.00893	0.2
135.04533	0.4
137.02388	0.1
143.05057	0.1
151.00371	3.4
153.01901	0.1
155.05008	0.1
157.02939	0.3
159.04507	0.7
161.02429	0.1
165.01996	0.1
166.02728	0.2
167.10793	0.3
169.01414	0.3
169.06645	0.4
171.04552	0.1
173.06194	0.1
175.00345	0.1
177.01924	0.4
180.05862	0.5
181.05132	0.2
181.06589	1.3
183.04520	0.7
184.27431	0.1
185.11845	0.1
195.04532	0.1
196.05269	0.5
197.06116	0.5
199.04066	0.4
199.29013	0.1
201.05614	0.9
209.06062	0.4
213.05492	0.2
223.04033	0.1
224.04807	1.0
225.05588	1.1
227.03532	0.4
237.05592	0.1
239.03442	0.3
240.04456	0.5
241.05110	0.4
253.05081	1.0
255.06612	0.1
265.05048	0.1
267.02945	0.4
268.03796	6.8
269.04575	100.0
270.04913	2.8
271.06137	9.1
271.09268	0.1
271.15494	0.4
272.06427	0.1
272.15811	0.1
281.04639	0.1
283.06290	0.4
291.06696	0.8
311.05646	5.3
312.05905	0.1
313.07303	0.1
335.05627	0.4
347.17105	0.3
353.06635	0.3
387.23441	0.1
389.18152	2.0
391.11569	0.1
417.15646	0.4
433.11334	0.4
433.20483	0.1
465.77420	0.1
674.79816	0.1
885.47119	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
66.65533	0.3
68.99810	0.4
69.03445	3.3
69.91490	0.2
71.01375	23.5
71.53796	0.3
71.80412	0.3
72.99312	0.3
73.02940	13.3
75.00848	0.5
81.03452	1.6
81.58984	0.3
83.01378	7.2
85.02939	10.3
87.00856	0.7
89.02432	9.2
95.01384	2.1
96.96004	0.5
97.02939	16.9
99.00866	38.3
99.04509	6.1
100.85178	0.3
101.02427	37.3
107.04978	0.4
109.02956	0.7
111.00871	0.5
113.02435	17.0
115.03955	0.4
115.70606	0.3
119.03495	0.5
119.41426	0.3
121.02922	0.6
123.04500	4.8
124.01622	2.0
125.02424	96.3
126.02741	1.3
127.04047	0.4
129.01912	1.2
131.03477	4.4
133.02930	0.4
135.04535	0.4
136.01735	0.4
137.02458	0.5
143.03476	4.5
149.02434	1.4
149.04457	0.3
150.03139	0.4
151.04010	3.1
153.05580	0.5
159.03000	2.8
161.02505	0.6
161.04535	22.1
162.04875	0.3
163.04004	1.2
163.06180	0.4
163.11293	1.3
165.05557	0.6
167.03491	1.4
172.18388	0.3
172.93271	0.3
175.04008	0.4
175.84290	0.3
177.01933	0.4
178.02733	0.4
179.03482	1.9
191.05603	5.6
193.05046	0.5
194.01733	0.3
203.05617	5.4
204.29846	0.3
217.05090	0.4
257.08234	0.6
275.07758	0.5
285.07660	4.4
287.07770	0.5
293.08804	3.9
305.07086	0.5
313.07141	5.0
327.08655	0.5
329.08667	0.4
355.08182	0.6
387.16589	0.7
401.11014	0.6
415.10416	0.7
419.11966	78.4
420.12378	3.2
461.13034	31.6
462.13174	1.3
475.12485	6.0
476.12811	0.4
501.16165	8.2
563.16187	100.0
564.16656	5.8
639.81256	0.3
710.90167	0.4
733.31488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	2.8
71.23438	0.4
73.02951	0.8
84.17518	0.4
85.02959	2.3
88.32516	0.5
89.02435	1.0
89.24293	0.5
89.53824	0.5
91.01904	5.4
93.03452	2.5
95.01380	1.0
99.00886	0.6
101.02434	2.2
102.92268	0.5
108.02171	22.1
109.02956	2.2
110.76064	0.5
111.00867	1.1
113.02449	1.2
121.02946	11.0
122.03709	7.3
123.00894	0.8
123.04523	31.4
123.71167	0.5
124.01681	1.1
125.02432	2.0
133.02922	1.0
133.88759	0.5
135.04529	0.7
136.01682	0.8
137.02463	2.8
147.04477	0.8
149.02446	27.7
150.03230	65.6
151.00362	2.7
151.03995	2.2
152.01158	47.6
153.01791	0.7
161.04483	0.8
164.04817	5.7
165.01933	29.5
165.05568	74.2
166.02612	2.1
166.05820	0.7
167.03496	100.0
168.03909	1.1
180.04297	5.0
181.05107	1.1
186.76627	0.7
195.06627	21.7
197.06093	2.6
213.05682	0.7
224.04836	1.2
225.05615	3.1
241.05115	0.8
243.06651	2.4
253.05089	7.2
256.07416	11.8
259.06100	0.5
259.77448	0.5
268.03580	0.7
269.04556	11.1
270.05032	0.9
271.06140	15.2
271.09720	4.6
272.06680	0.9
300.06461	1.8
315.05057	0.8
315.08759	23.1
345.09692	3.2
363.10916	49.3
364.11221	2.3
376.21384	0.6
387.78217	0.6
433.11444	29.2
434.11823	2.1
443.19470	1.9
475.12524	0.6
517.19397	1.2
535.68201	0.6
669.27362	0.9
685.76935	0.7
711.28729	13.8
907.36108	8.4
951.39972	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	952.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22811	0.1
78.95901	58.2
85.07705	0.2
96.96954	6.5
124.07655	0.2
127.33680	0.2
136.78593	0.2
148.04745	0.2
150.97992	2.0
152.99590	100.0
153.99974	0.7
157.07776	0.2
171.00635	2.8
196.16696	0.2
269.49158	0.2
275.33838	0.2
279.23297	1.9
388.93484	0.2
433.23633	38.4
434.24094	1.4
465.69019	0.2
708.47058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.2
68.99820	0.7
71.01378	2.0
72.99314	0.7
73.02932	0.8
75.00868	0.3
83.01387	4.8
84.02157	2.1
85.02946	100.0
86.03285	0.8
87.00877	0.8
88.28236	0.1
89.00337	0.2
89.03969	0.3
95.01385	0.2
99.00876	0.3
101.02425	1.3
103.00348	1.0
106.00567	0.3
110.55570	0.1
111.00877	12.0
112.60027	0.1
115.00424	0.2
117.03452	2.1
121.02939	6.2
121.03782	0.3
123.00889	1.4
123.04539	0.3
124.01648	0.2
125.02449	0.2
127.00388	0.3
129.01932	33.6
130.02231	0.2
134.03732	21.1
135.04498	0.2
136.98825	0.3
137.02451	0.7
138.03223	1.9
139.00381	1.6
139.04013	1.3
145.01392	0.3
147.02997	11.8
149.02446	0.3
149.06073	2.3
153.05576	6.6
154.99872	0.3
160.01657	1.3
161.02463	0.3
164.04781	0.4
166.99846	0.8
167.03493	0.6
173.00906	12.1
175.03981	2.5
178.02693	1.1
179.03555	0.2
181.01445	0.2
182.02219	2.7
184.68103	0.2
191.01968	7.3
191.03645	0.4
193.05061	18.7
194.05299	0.6
196.03789	0.6
197.04558	12.3
207.02997	0.2
207.06665	0.2
209.03008	1.8
211.06209	0.3
218.05930	0.2
222.05383	1.3
223.06183	0.3
235.05905	0.2
237.07605	1.3
250.04890	0.3
256.60626	0.1
261.07697	1.6
265.07205	3.9
309.06125	0.3
321.03409	0.2
323.07742	1.8
327.07269	8.7
328.07742	0.2
341.05228	0.3
353.05145	0.7
367.06735	14.5
368.06998	0.3
371.06232	8.1
372.06461	0.2
385.07809	4.2
389.07321	4.5
397.07693	0.2
565.12024	7.6
566.11786	0.2
706.75818	0.2
725.34882	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	0.7
71.01393	1.7
72.99314	0.7
73.02947	0.9
83.01398	4.8
84.02178	1.7
85.02960	100.0
86.03305	0.9
87.00883	0.7
89.00323	0.3
89.03979	0.3
91.01908	0.2
99.00884	0.2
101.02421	1.0
102.69490	0.1
103.00366	0.3
106.00595	0.2
108.02149	0.2
111.00884	11.2
116.24415	0.1
117.03477	1.7
121.02954	7.3
121.85916	0.1
122.03313	0.1
123.00891	1.0
123.04549	0.6
124.01640	0.2
125.02411	0.2
127.00381	0.3
129.01938	40.2
130.02289	0.5
132.02199	0.2
134.03732	18.0
135.04443	0.3
136.98764	0.2
137.02420	0.9
138.03226	1.6
139.00362	1.4
139.04021	0.7
145.01408	0.6
147.03008	8.9
149.02486	1.4
149.06068	2.3
152.01123	0.5
153.05583	7.0
153.06839	0.3
154.02858	0.1
154.99878	0.2
160.01643	2.0
161.02426	0.2
162.03258	0.1
163.03998	0.2
164.04784	1.5
166.99867	1.2
167.03484	1.5
173.00905	11.1
175.04008	3.3
178.02711	1.5
179.03444	0.1
179.07115	0.2
181.01358	0.2
182.02208	2.9
190.02855	0.2
191.01991	6.8
191.03696	0.3
192.04285	0.1
193.05070	16.5
194.05464	0.3
196.03792	0.8
197.04582	14.7
198.04958	0.2
204.04259	0.2
205.05135	0.2
207.03113	0.2
209.03067	1.9
211.06151	0.3
217.01451	0.2
217.08702	0.2
218.05823	0.3
222.05328	0.9
223.06133	1.3
225.87764	0.2
229.49074	0.1
235.06100	0.6
237.07649	1.1
237.83385	0.1
253.19101	0.1
261.07758	1.3
265.07193	3.7
297.06161	0.6
309.05942	0.5
323.07773	1.9
327.07224	6.0
341.05124	0.9
359.06299	0.5
367.06735	7.9
371.06235	8.0
372.06711	0.2
385.07828	3.0
389.07278	4.0
397.07770	0.9
415.08914	0.3
565.12042	5.2
718.32025	0.1
873.39697	0.2
875.71252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01909	0.7
68.99832	0.5
69.03460	0.6
71.01384	4.2
71.05013	2.6
72.99310	3.1
73.02950	1.8
81.03454	15.0
83.01385	17.7
83.04991	0.4
84.02170	2.4
85.02947	32.8
89.02448	0.6
89.03967	1.7
97.02937	1.5
99.00847	1.8
99.04512	21.7
101.02428	1.9
109.02969	0.8
111.00881	40.5
113.02449	1.5
115.05598	0.6
117.03456	5.7
121.02952	100.0
122.03303	0.9
125.02439	1.8
127.00372	0.9
127.04014	27.0
129.01938	24.5
131.05040	2.6
132.02155	0.5
133.02966	2.3
133.06592	11.7
134.03741	64.9
135.04221	0.7
137.02458	2.4
139.03947	0.6
143.05067	0.8
149.06081	8.9
150.03233	0.5
152.01138	0.6
153.01959	0.5
154.99854	2.1
159.04495	3.0
160.01654	3.1
161.06068	14.0
167.03444	0.6
171.03008	17.4
175.04022	5.3
178.02719	9.2
187.29886	0.5
189.03946	0.6
189.05569	13.4
193.05067	91.0
194.05446	2.8
197.00954	0.9
215.01987	8.4
224.04848	1.6
233.04604	2.3
239.03555	0.6
240.04335	1.8
251.05682	4.1
255.02954	0.7
261.07654	4.2
267.03003	2.6
268.03799	14.0
269.04562	30.6
270.04987	0.6
277.03610	1.6
282.05246	0.5
283.06125	29.3
284.06354	1.9
291.11404	0.4
293.06720	5.1
311.05582	1.6
337.05768	3.0
365.08713	2.3
409.07809	2.0
421.20874	1.7
422.21008	0.7
427.10236	4.3
471.09091	0.8
483.81631	0.5
487.12323	2.5
531.11505	1.5
531.27698	0.5
700.94269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	1.4
69.03474	1.3
71.01393	28.3
72.99321	2.7
73.02956	7.3
75.00885	13.7
81.03482	0.4
81.32733	0.4
83.01404	5.2
85.02966	25.3
86.00079	1.5
87.00885	9.7
87.04507	2.2
89.02457	12.6
94.91552	0.3
95.01402	6.4
97.02926	0.5
99.00230	0.5
99.00886	16.8
99.04534	0.4
99.27690	0.4
101.02450	14.8
103.04001	3.8
111.00907	0.7
112.01665	1.5
113.02456	19.8
115.00381	0.6
115.04008	3.5
119.03508	2.7
119.41688	0.3
120.49562	0.3
125.02441	0.6
129.01907	0.4
131.03510	7.1
139.00356	1.5
143.03502	9.3
144.84422	0.3
145.05101	1.6
148.47375	0.3
157.01422	1.5
161.04578	1.2
163.06122	2.5
205.07248	5.1
377.28485	0.8
391.30533	0.4
437.30914	0.4
439.32446	0.6
449.30838	0.5
469.33377	1.4
627.35620	0.4
788.23962	0.4
893.45178	1.4
935.47125	0.7
953.47620	100.0
954.47931	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	953.51
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11541	0.3
68.99825	2.4
69.03461	0.6
71.01383	26.7
71.05025	0.7
72.99305	3.5
73.02942	6.8
75.00872	12.7
83.01389	3.4
85.02952	23.7
85.03480	0.8
86.00108	1.8
87.00874	8.9
87.04507	2.6
89.02439	10.7
95.01385	4.5
97.02901	0.4
99.00876	14.4
99.04508	0.5
101.02438	11.5
103.03976	3.6
111.00922	0.7
112.01654	1.8
113.02444	20.6
115.00410	0.5
115.04006	3.4
119.03493	2.2
125.02483	0.4
127.04062	0.4
128.45992	0.3
131.03493	9.7
139.00375	1.6
143.03505	9.8
145.05086	1.6
157.01447	1.7
161.04520	0.6
163.06105	2.6
181.03618	0.4
197.36214	0.4
205.07182	6.1
207.44685	0.4
221.65309	0.4
376.31223	0.4
643.94476	0.4
705.76263	0.4
739.94800	0.5
863.44452	0.6
909.48236	1.6
913.05548	0.4
935.47394	0.4
953.49042	100.0
954.49268	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	954.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	0.2
68.99819	1.7
69.03455	1.6
71.01382	15.3
72.99313	1.6
73.02930	0.6
74.53677	0.1
75.00871	10.9
76.57762	0.2
83.01389	2.1
84.02146	0.2
85.02948	10.9
86.00080	0.5
87.00866	2.4
89.02438	13.9
95.01374	2.9
97.02938	3.9
99.00872	12.7
101.02433	2.7
111.00860	0.5
112.01680	1.0
113.02444	10.1
115.00365	0.6
119.03503	0.1
125.02435	8.5
129.01917	1.0
131.03503	2.0
139.00352	0.9
142.02701	0.2
143.03519	0.2
145.83151	0.1
149.04573	0.5
157.01419	2.6
219.05116	0.1
249.06203	0.1
457.37106	0.1
463.36273	0.2
480.92365	0.2
535.38617	0.2
583.40051	0.6
587.47272	0.1
741.42255	0.2
791.45447	0.9
891.47589	100.0
892.47772	7.1
894.49329	0.2
954.49677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01912	0.2
68.99815	1.6
69.03455	0.6
71.01383	24.5
72.99309	2.1
73.02946	14.2
75.00870	15.0
81.03442	0.2
82.45821	0.1
83.01385	5.3
83.05040	0.5
83.31414	0.1
84.02163	0.2
85.02949	16.1
86.00094	0.5
87.00875	3.6
87.04549	0.4
89.02437	7.7
95.01385	5.2
97.02930	1.0
99.00877	17.3
99.04514	0.3
101.02435	19.0
104.07657	0.1
111.00886	0.6
112.01643	1.2
113.02447	16.1
115.00365	0.8
115.04048	0.2
117.01991	0.2
119.03490	1.6
125.02438	0.8
129.01973	0.6
131.03474	1.2
139.00360	1.3
143.03508	1.2
149.04596	0.3
155.03583	0.2
157.01414	2.1
161.04572	2.2
203.05661	0.1
205.07253	0.1
212.42159	0.1
221.06738	0.5
230.93083	0.1
231.05063	0.2
242.25378	0.1
257.06461	0.2
379.30042	0.2
409.31281	0.9
441.33768	1.9
448.37436	0.1
480.30548	0.2
489.35962	0.6
511.34396	0.2
531.37061	0.2
579.67456	0.1
634.84491	0.2
689.38959	0.5
807.45490	0.3
869.45868	1.0
890.76117	0.1
911.46558	100.0
912.46906	5.3
955.48889	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	955.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	1.5
71.01385	27.2
72.31973	0.8
72.99316	4.5
73.02949	8.7
75.00874	10.8
75.46243	0.8
81.03439	1.1
83.01385	5.1
84.85991	0.9
85.02956	23.2
87.00871	9.5
87.04529	1.8
89.02438	12.5
92.14355	0.8
95.01385	6.7
99.00879	18.1
101.02437	19.6
103.04013	4.2
112.01639	1.3
113.02448	18.1
115.04018	2.1
119.03509	2.2
125.02451	1.4
125.96395	0.9
128.03542	1.3
131.03525	7.5
139.00410	1.0
143.03539	9.7
145.05077	1.3
157.01398	1.1
157.06125	1.0
161.04594	1.8
163.06120	3.4
202.56450	0.9
205.07227	5.3
231.78293	0.9
235.07002	1.0
238.54134	1.0
248.42616	1.1
269.04523	3.9
320.09192	1.4
706.45624	1.1
825.50403	4.5
867.50568	6.8
868.51764	1.3
955.49170	100.0
956.49506	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	955.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12044	1.2
67.31563	1.9
68.98305	1.6
71.01396	25.7
72.80206	1.3
72.99309	1.7
73.02941	5.8
75.00871	11.9
77.48195	1.3
83.01379	2.5
85.02973	22.0
87.00862	3.7
89.02457	15.5
95.01367	3.1
99.00882	17.4
101.02441	15.5
103.04013	2.2
110.33529	1.8
113.02462	21.7
119.03517	1.9
131.03487	10.4
141.01971	1.5
143.03470	5.5
159.08707	1.6
205.07188	2.8
260.01202	1.7
313.60071	1.5
364.10724	1.6
423.32532	2.8
784.87177	1.6
937.51324	1.7
941.47748	2.2
955.49170	100.0
956.49811	5.8
973.66748	1.9
988.68323	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	955.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05785	0.5
68.99813	2.2
69.18719	0.4
71.01380	26.2
72.99299	3.0
73.02934	6.6
74.21249	0.5
75.00868	11.5
83.01395	4.7
85.02947	23.0
86.00081	1.2
87.00871	8.8
87.04516	1.2
87.46196	0.5
89.02443	14.4
95.01392	4.8
99.00869	17.4
101.02435	16.7
102.78336	0.6
103.04000	4.0
112.01683	1.3
113.02444	17.9
115.04012	3.2
119.03499	4.3
120.29257	0.5
127.03993	0.6
127.59563	0.5
131.03488	7.3
139.00383	2.5
141.01950	1.1
143.03503	7.8
145.05125	1.0
157.01448	1.0
161.04564	2.1
163.06131	2.2
183.32176	0.5
192.89313	0.6
205.07213	5.6
264.48322	0.6
285.15820	0.6
312.37662	0.6
423.32767	2.3
471.34720	0.8
714.77484	0.6
795.45068	2.3
937.47791	2.9
955.49139	100.0
956.49402	9.0
970.47546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99831	0.5
69.03468	0.6
71.01388	35.7
72.01737	0.3
72.99314	39.8
73.02952	4.7
75.00877	8.7
83.01402	5.6
85.02962	27.8
86.00122	0.7
87.00879	8.3
87.04517	0.9
89.02455	9.1
91.18487	0.4
95.01387	6.3
97.02948	0.7
99.00885	22.5
101.02441	6.5
102.02778	0.5
103.00398	0.8
103.04012	2.8
111.00849	0.8
112.01647	1.0
113.02457	39.4
114.02779	0.5
115.00378	3.1
115.04005	0.9
117.71858	0.4
119.03502	1.8
125.02415	0.7
131.03497	5.4
133.01437	7.0
139.00359	0.7
143.03497	3.2
145.05156	0.5
157.01418	3.5
159.02975	1.4
161.04575	0.5
163.06146	2.7
172.33556	0.4
175.02477	2.2
205.07205	0.7
210.56718	0.4
218.35645	0.4
220.97159	0.4
252.32179	0.4
270.83652	0.5
321.08316	9.5
339.09415	4.0
341.74539	0.4
381.10596	1.8
435.11554	2.6
497.11523	13.0
643.99756	0.5
749.69373	0.5
954.49506	3.5
955.49158	100.0
956.49829	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	955.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99825	0.6
69.03464	0.7
71.00987	0.8
71.01382	24.5
72.32495	0.3
72.99323	2.6
73.02951	6.8
73.16620	0.3
75.00453	0.6
75.00870	10.3
83.01389	3.8
85.02950	20.0
86.00106	1.5
86.05996	0.4
87.00877	7.1
87.04504	2.4
89.02441	12.8
92.12470	1.3
95.01376	4.7
97.02907	1.4
99.00882	13.1
101.02437	15.3
103.04013	4.1
111.00912	0.5
112.01659	0.9
113.02449	17.0
115.04017	2.9
119.03497	3.9
125.02390	0.5
131.03506	5.6
139.00352	0.6
143.03508	8.0
145.05028	0.6
157.01419	1.5
161.04579	1.9
163.06093	2.9
193.33957	0.4
201.73293	0.4
205.07156	4.6
267.60782	0.5
269.04553	3.0
273.60303	0.3
306.28421	0.4
365.89874	0.4
421.42297	0.4
451.32419	0.4
720.53632	0.5
911.46045	3.9
955.49182	100.0
956.49158	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	957.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99806	0.3
71.01378	2.2
72.99304	0.3
73.02953	0.8
75.00880	0.2
83.01383	4.4
84.02163	2.1
85.02946	100.0
86.03288	0.8
87.00861	0.9
87.14918	0.2
89.00360	0.2
91.09724	0.2
99.00912	0.3
101.02421	0.7
103.00338	0.7
106.00585	0.4
108.40846	0.2
109.02960	0.2
111.00872	11.6
116.55845	0.2
119.24986	0.2
121.02941	10.0
123.00873	1.0
125.02460	0.2
127.00334	0.4
129.01929	41.7
130.02255	0.4
132.02199	0.3
137.02382	0.3
138.03201	1.9
139.00334	1.6
139.04034	0.4
141.75853	0.2
145.01428	0.2
147.03000	9.2
147.04482	1.1
149.02441	13.6
153.05568	7.3
154.99829	0.3
161.02451	0.2
163.04034	0.4
164.04791	11.2
165.05200	0.2
166.99854	1.8
173.00893	11.6
175.00420	0.3
179.03358	0.2
179.07124	1.4
182.02188	3.4
189.01820	0.2
190.02690	2.7
191.01979	6.9
191.03497	0.5
193.01398	0.9
196.03818	0.3
197.04558	16.7
205.05092	2.7
208.03786	1.9
209.03001	1.7
211.06157	0.3
217.01465	0.2
222.05341	1.8
223.06125	15.1
224.06416	0.3
237.07674	1.2
248.07002	0.2
265.07181	4.2
291.08786	1.4
309.06137	0.4
327.07227	7.4
328.07568	0.2
353.08914	1.6
371.06216	9.0
389.07233	4.4
397.07776	9.9
415.08878	3.8
575.94666	0.2
595.13171	5.9
652.82458	0.2
693.95197	0.2
914.21167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	3.6
71.05015	0.9
72.99302	2.0
73.02953	0.6
77.18730	0.5
81.03059	0.6
81.03468	10.6
83.01402	14.2
84.02160	3.3
85.02963	100.0
86.03320	0.6
87.99303	0.5
91.01880	3.2
97.01077	0.5
97.02956	0.6
99.00758	0.6
99.04518	15.5
101.02444	0.7
108.02182	8.0
109.02970	2.6
111.00887	34.9
113.02448	0.6
118.55771	0.5
121.02953	67.4
122.03248	1.0
123.00884	5.3
123.03645	1.1
123.04518	23.8
124.01630	2.8
125.02410	1.0
127.00396	0.6
127.04012	32.5
129.01945	28.8
131.05023	0.6
133.06551	2.9
136.01692	0.7
136.98766	0.6
138.03206	1.2
145.02914	0.6
147.03008	4.1
147.04567	1.0
149.02419	2.2
151.04100	0.7
152.01161	10.1
153.05592	4.6
154.99821	2.2
161.06075	3.6
163.03979	0.8
164.04768	3.5
166.02704	3.6
167.03499	54.5
171.03004	15.0
173.00853	0.9
174.03177	0.8
182.02252	2.9
189.04008	1.2
189.05554	7.9
192.04272	6.0
197.04588	9.6
207.06636	9.0
208.03795	0.7
215.02005	6.3
220.03770	0.9
223.06088	3.5
235.03911	1.1
235.06137	22.0
251.05844	0.9
253.05118	0.7
265.07089	1.2
279.05090	6.8
293.06653	2.9
295.04672	0.8
297.06308	0.9
323.03973	1.2
337.05786	4.6
339.07285	5.9
355.06747	2.3
383.06235	3.0
401.08719	2.8
445.07626	3.1
505.09818	2.2
505.19241	2.4
558.02887	0.6
866.87207	0.6
870.60638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.1
68.99824	1.4
69.03450	1.4
71.01381	17.9
72.99305	2.0
73.02937	1.6
75.00871	10.3
79.61013	0.1
83.01384	2.5
85.02948	12.7
86.00101	0.2
87.00872	3.1
89.02439	12.2
95.01382	3.6
97.02943	2.4
99.00875	12.0
101.02432	12.9
110.53278	0.1
111.00878	0.2
112.01658	1.0
113.02446	12.5
115.00366	0.7
119.03493	2.9
125.02435	5.4
129.01936	0.4
131.03470	0.6
139.00336	1.3
143.03497	0.6
155.65881	0.1
157.01439	1.7
161.04553	1.6
299.79834	0.2
408.37372	0.1
563.37689	0.3
583.40558	0.3
741.42352	0.2
763.43091	0.2
821.47339	0.5
921.48627	100.0
922.48969	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	957.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	0.1
68.99821	1.9
69.03456	1.1
71.01382	25.4
72.01700	0.7
72.99305	3.1
73.02948	7.0
75.00871	11.1
81.03420	0.2
83.01386	3.5
84.02156	0.2
85.00575	0.2
85.02950	24.5
86.00085	1.4
86.00549	0.1
86.03291	0.9
87.00873	9.2
87.04513	2.5
88.01178	0.2
89.02438	13.0
90.02760	0.2
95.01383	5.4
97.02955	1.3
99.00875	13.0
99.04511	0.3
100.01193	0.2
101.02435	15.6
101.58092	0.1
102.02803	0.3
103.04007	4.3
111.00876	0.8
112.01672	1.6
113.02449	17.7
114.02778	0.7
114.79355	0.2
115.00362	0.3
115.04010	3.3
119.03487	3.8
121.02953	0.2
125.02468	1.1
127.03968	0.3
129.01938	0.3
131.03494	7.0
131.26945	0.2
132.03827	0.2
139.00360	1.9
143.03505	9.2
144.03838	0.2
145.05072	1.5
157.01419	1.5
161.04585	2.4
163.06125	3.2
165.36905	0.1
170.88237	0.2
205.07207	6.0
206.07567	0.2
253.05077	0.8
269.04532	0.3
395.11743	0.2
423.32733	0.4
424.34103	0.2
425.34286	1.5
441.33701	0.2
461.67664	0.2
473.36600	0.4
515.13831	0.2
631.38544	0.6
765.44629	0.7
913.47546	1.1
939.49066	0.7
955.49011	0.4
956.49701	3.8
957.50562	100.0
958.50739	6.4
959.51166	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99810	1.8
69.03446	0.5
71.01383	24.1
72.99309	3.7
73.02946	6.1
75.00874	9.5
83.01370	3.1
85.02950	23.2
85.03471	0.8
86.00080	0.7
87.00874	8.4
87.04510	2.5
89.02441	11.5
95.01374	5.2
97.02952	0.6
99.00877	13.7
99.04498	0.7
101.02441	12.5
103.04012	4.0
108.07051	0.3
111.00911	0.7
112.01655	0.8
113.02449	17.1
115.00391	0.5
115.04024	2.7
118.34653	0.4
119.03464	3.3
125.02419	0.7
129.01903	0.4
131.03497	6.5
135.95667	0.3
139.00375	1.3
143.03500	8.0
145.05112	0.6
146.63104	0.3
157.01443	1.3
161.04500	2.4
163.06120	2.9
178.78398	0.4
193.04961	0.4
205.07254	4.0
253.05142	0.4
257.87796	0.3
327.01477	0.4
354.18277	0.4
425.34506	1.4
453.33957	0.5
473.36545	0.6
631.39252	0.6
742.21643	0.4
913.48767	0.5
939.49561	0.6
957.50720	100.0
958.50781	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	957.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.3
68.99834	2.3
71.01384	32.4
72.99306	2.4
73.02952	4.3
74.13313	0.2
75.00874	10.4
83.01389	4.5
85.02954	35.2
86.00096	1.3
87.00881	7.0
89.02445	21.2
90.02758	0.2
95.01392	8.4
97.02950	1.0
99.00230	0.4
99.00882	13.6
101.02441	23.1
111.00882	1.0
112.01667	1.2
113.02451	23.5
115.00340	0.5
119.03502	7.8
129.01944	0.3
131.03500	7.9
139.00386	3.7
143.03526	2.6
157.01457	1.0
159.02995	1.6
161.04562	13.0
161.87207	0.3
173.73291	0.3
179.05624	3.9
187.59688	0.2
221.06697	14.0
249.06157	0.4
263.07733	0.5
353.43335	0.2
407.33386	0.3
437.34564	1.0
457.37225	1.0
467.07559	0.3
478.50177	0.3
615.38751	0.5
917.75525	0.3
939.49335	1.2
957.50696	100.0
958.50995	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	957.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	1.3
69.03439	0.5
69.12226	0.2
71.01378	23.2
72.99304	3.2
73.02940	6.7
75.00456	0.5
75.00867	11.1
81.03446	0.3
83.00968	0.3
83.01390	3.5
84.02135	0.4
85.02945	21.0
86.00082	1.9
87.00869	8.2
87.04478	2.3
89.02438	12.1
92.12448	0.4
95.01383	4.3
97.02937	1.1
99.00871	12.7
101.02433	14.0
103.04000	3.8
109.03007	0.3
111.00867	0.4
112.01659	1.4
113.02442	15.6
115.00375	0.5
115.03974	2.2
119.03486	3.1
125.02437	1.0
129.01862	0.3
131.03487	5.8
139.00363	1.5
143.03487	8.3
145.05045	1.7
157.01419	1.4
161.04527	1.9
163.06065	2.8
205.07179	5.8
247.08087	0.3
277.06833	0.2
328.37280	0.3
343.25714	0.3
425.34177	1.0
453.33923	0.5
456.66794	0.3
473.36288	1.4
631.39154	0.7
651.13214	0.3
895.51508	0.4
939.49298	0.9
957.50720	100.0
958.50867	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	957.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99819	2.4
69.03449	0.7
71.01384	24.6
72.99303	3.0
73.02951	6.4
75.00871	11.9
76.80743	0.4
83.01389	4.4
83.05063	0.5
85.02950	22.1
86.00098	2.6
87.00868	8.5
87.04510	2.9
89.01887	0.5
89.02441	12.2
95.01385	4.1
97.02940	0.6
99.00880	14.2
99.04505	0.5
101.02444	13.9
101.47259	0.4
103.04028	4.1
105.71509	0.4
108.47248	0.4
111.00927	0.5
112.01671	1.9
113.02451	17.0
113.03255	0.5
115.00379	0.5
115.04029	3.5
119.03492	3.0
125.02432	0.6
127.04063	0.4
129.01936	0.8
131.03485	7.5
139.00401	1.8
143.03519	9.5
145.05067	1.5
156.22223	0.4
157.01404	1.8
161.04553	1.5
163.06152	2.0
205.07182	4.5
225.17079	0.5
253.05075	0.5
332.12631	0.4
453.33481	0.6
724.04199	0.6
939.50299	0.5
957.50677	100.0
958.50659	8.3
972.74353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	0.3
68.99815	1.0
71.01381	2.1
72.99292	1.5
73.02939	0.9
75.00867	0.3
78.78461	0.2
80.22494	0.2
81.03472	0.3
83.01385	5.5
84.02158	1.9
85.02944	100.0
86.03281	0.5
87.00873	1.3
88.14008	0.2
91.01887	1.4
99.00877	0.4
99.04510	26.3
101.02436	1.2
103.00349	1.0
103.62017	0.2
108.02172	2.6
109.02923	1.2
109.06573	1.1
111.00876	15.9
113.06067	0.4
116.72803	0.2
119.05009	0.6
121.02941	0.6
121.06598	0.3
123.00898	0.3
123.04527	7.4
124.01627	0.4
129.01932	46.2
134.03711	1.0
139.07645	1.1
147.02998	7.4
152.01144	3.6
152.88011	0.3
153.05504	0.3
163.04016	1.2
164.04593	0.3
166.02763	1.1
167.03484	16.8
167.07133	3.4
173.00891	9.2
181.05107	0.4
189.05452	0.4
191.01984	4.6
192.04381	1.0
193.05124	1.1
194.68205	0.2
197.04553	1.3
202.02850	0.3
207.06642	1.0
211.06123	0.3
229.07184	3.8
235.06195	3.3
240.04205	2.6
253.05072	5.9
268.03757	6.7
269.04547	6.7
269.07202	0.4
270.04996	0.4
273.06161	13.0
274.06714	0.3
279.04999	0.4
283.06161	8.9
291.07239	6.4
292.67490	0.2
297.06110	4.9
341.05179	6.5
397.11246	0.3
427.19885	0.5
441.10388	14.8
617.19257	0.3
727.17664	0.3
729.25555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	1.0
69.03447	1.3
71.01382	77.0
72.99320	6.3
73.02946	63.6
75.00861	6.2
81.03426	1.0
83.01387	18.8
85.02953	29.1
86.26236	0.8
87.00875	6.9
89.02440	42.6
92.11680	0.8
95.01374	7.8
97.02911	3.3
99.00871	33.6
101.02435	65.3
102.02829	1.0
103.04060	1.1
111.00851	1.0
112.01669	1.4
113.02444	47.7
114.02753	0.9
115.04021	1.0
119.03488	10.8
121.02969	1.4
125.02435	1.5
127.04028	0.9
131.03476	9.6
134.03723	8.3
138.06891	1.7
143.03503	8.5
149.02412	3.2
149.04582	4.2
149.06126	1.6
150.03247	8.0
151.07674	4.2
152.08403	10.7
153.09213	16.7
155.03574	1.2
159.02971	1.1
161.04558	10.6
165.05580	5.5
178.02744	1.8
179.10773	0.9
180.04332	1.0
191.05704	1.9
193.05099	8.0
193.12328	10.5
195.06644	3.5
205.07281	1.9
205.12367	18.0
211.13437	1.3
223.13412	1.6
269.04636	1.0
282.09082	1.5
341.10376	3.5
353.10446	1.3
355.17651	5.6
373.18692	23.4
385.18909	3.8
389.12527	4.8
415.19766	100.0
416.20142	1.9
461.14886	1.2
499.21866	8.9
517.22955	77.4
518.23291	1.2
521.17047	1.1
559.24408	5.8
855.40845	4.0
873.41681	5.7
915.42407	19.3
916.41302	1.1
958.51202	21.5
959.51575	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.485
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99804	1.0
71.01377	26.1
72.01694	1.0
72.99297	4.4
73.02940	7.8
75.00868	16.4
83.01390	1.8
84.81181	0.7
85.02457	1.4
85.02941	21.8
85.04067	0.9
86.00098	1.0
86.03275	1.2
87.00880	8.6
87.04504	1.8
89.02425	11.7
95.01372	5.3
98.65398	0.7
99.00870	22.4
99.04559	1.3
99.39163	0.8
101.02431	12.1
102.02712	0.8
103.03992	4.3
111.00896	1.1
112.01667	1.3
113.02451	18.9
114.02798	1.3
114.53125	0.7
115.04007	3.8
119.03528	1.6
127.95324	0.7
128.03456	0.9
131.03488	10.3
139.00374	1.1
143.03487	9.9
156.99603	0.8
157.01431	3.2
163.02507	1.8
163.06175	1.8
191.01990	0.7
205.07182	5.7
253.05103	5.8
268.03818	1.3
269.04492	1.3
283.06177	4.8
321.73715	0.9
403.28436	1.7
423.60974	0.8
517.32489	1.1
535.16394	0.8
771.38232	4.6
841.42218	1.7
857.41895	1.5
904.42920	2.8
941.48065	1.4
958.50671	12.5
959.49664	100.0
960.49969	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	959.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	6.6
70.00617	3.5
71.01379	100.0
72.99310	52.0
73.02942	51.1
75.00866	40.0
76.58260	3.5
83.01373	19.0
85.02946	66.7
87.00886	36.5
87.04481	4.0
89.02448	37.3
95.01370	8.1
99.00890	57.0
101.02438	86.9
101.11187	3.3
103.04015	5.4
104.24603	3.2
107.18112	3.7
111.00900	4.6
112.01631	3.4
113.02455	69.6
115.03999	7.6
119.03473	5.3
123.00893	3.4
124.85404	3.5
131.03482	46.3
133.01424	13.6
139.00314	3.6
142.59958	3.7
143.03499	22.5
145.01414	17.9
157.01369	5.5
159.03003	32.6
161.04518	5.1
163.02501	45.5
163.06102	5.6
191.02022	60.7
205.07109	26.1
220.94943	3.8
253.05008	4.7
255.93851	3.8
313.14410	4.0
350.73654	3.4
487.34460	4.0
489.35989	7.8
546.00049	3.7
579.22913	19.3
609.24121	16.3
647.38434	4.1
689.30463	13.7
690.31458	6.5
897.48193	17.5
923.46021	16.6
924.46613	4.2
927.45697	5.5
941.48157	8.5
942.48108	32.6
959.49017	87.7
960.49121	8.2
974.47131	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	959.522
Annotation	Cephalostatin 13
Peak:m/z	Relative Intensity
66.54460	0.2
66.74047	0.1
67.01891	0.3
68.99813	1.3
69.03450	1.1
71.01379	29.8
72.99296	2.8
73.02532	0.4
73.02940	9.0
75.00866	12.2
81.03447	0.2
83.00921	0.2
83.01384	4.7
83.05054	0.2
85.02946	20.4
86.00081	2.2
87.00864	8.5
87.01398	0.3
87.04510	2.6
89.02438	9.7
89.42693	0.2
92.65987	0.2
95.01392	4.2
96.96001	0.2
97.02935	1.0
99.00874	14.4
99.04530	0.3
101.02435	14.7
102.32034	0.2
103.04008	2.6
108.02145	0.2
109.02962	0.2
111.00893	0.7
112.01653	0.4
113.02443	16.4
115.00377	0.4
115.03998	3.7
119.03474	2.8
121.02941	0.2
125.02447	1.3
127.04029	0.3
129.01897	0.3
131.03485	8.1
139.00333	0.7
143.03502	8.0
145.05072	1.6
152.01178	0.2
157.00325	0.2
157.01404	1.5
159.03015	0.7
161.04535	1.4
163.06091	2.1
167.03500	0.3
205.07196	5.3
221.06667	0.3
253.05031	0.8
283.06174	0.3
300.41077	0.2
329.73672	0.2
378.96182	0.2
407.33414	0.3
409.30896	0.5
411.32452	0.4
425.34235	1.7
426.34525	0.2
427.36020	0.4
443.35678	0.3
445.36575	0.2
473.36398	4.5
473.72495	0.2
475.37708	0.9
493.22922	0.3
501.51511	0.2
543.40631	3.8
552.99402	0.2
587.39313	0.8
633.40088	0.8
651.42157	0.2
716.56604	0.2
813.46729	0.2
941.51471	1.7
959.52191	100.0
960.52356	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	961.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03000	0.1
81.03458	2.5
81.03925	0.1
83.01379	0.7
85.02941	0.5
85.06584	0.5
87.04514	0.5
99.04474	0.1
107.01378	0.5
108.02148	0.1
109.02987	0.1
109.06588	1.4
109.85581	0.1
111.04518	2.4
121.02917	0.1
122.03734	0.9
123.04470	0.1
123.08138	0.2
125.02435	6.2
127.07645	0.1
129.01901	0.1
135.04526	0.1
139.03999	0.1
145.82329	0.1
148.01756	0.1
149.02483	0.6
151.00366	1.2
151.07649	28.1
152.01128	0.4
152.07988	0.1
153.05568	0.4
167.03502	0.1
175.16791	0.1
177.05563	0.7
191.07164	0.4
193.31845	0.1
195.06635	100.0
196.06989	1.6
209.08278	0.1
212.01642	0.1
219.06676	0.6
237.07716	0.5
269.04565	4.4
270.04965	1.4
368.49008	0.1
399.13007	12.6
400.13358	0.5
432.70978	0.1
443.15439	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01901	0.2
68.99818	0.4
71.01387	2.4
72.99316	0.8
73.02947	0.7
75.00886	0.3
83.01395	4.9
83.44540	0.2
84.02159	1.7
85.02960	100.0
85.11315	0.2
86.03304	0.4
87.00877	0.8
89.00329	0.4
91.01888	0.2
93.03462	0.3
94.95704	0.2
95.01357	0.2
99.00870	0.3
101.02450	1.3
103.00379	0.8
106.00618	0.7
111.00889	11.0
112.01208	0.2
115.00373	0.3
121.02954	10.2
123.00887	1.7
124.01653	0.2
125.02391	0.2
127.00365	0.2
129.01942	43.1
130.02362	0.2
133.08243	0.2
135.04530	0.4
136.61186	0.2
136.98801	0.2
137.02461	0.6
138.03233	2.5
138.28128	0.2
139.00356	1.9
139.04010	0.7
145.01456	0.3
147.03012	9.6
147.04509	1.4
149.02448	15.1
152.01207	0.2
153.01949	0.2
153.05585	8.5
163.04033	0.4
164.04803	12.0
165.01945	0.2
166.99840	1.0
167.03491	0.3
168.70433	0.1
173.00911	11.6
175.00356	0.3
177.01930	0.4
179.03523	0.3
179.07147	2.0
180.04337	0.2
181.01639	0.2
182.02234	3.6
189.01814	0.2
190.02730	1.8
191.02000	7.4
191.03674	0.4
193.01414	0.7
193.04996	0.3
195.06639	0.2
196.03807	0.7
197.04576	17.3
198.04909	0.3
203.12943	0.2
205.05095	3.0
207.02959	0.2
208.03790	2.3
209.03003	1.3
211.06114	0.7
219.06509	0.2
221.08134	0.2
222.05360	1.0
223.06152	16.3
224.06619	0.2
232.03645	0.2
237.07690	1.1
248.06897	0.2
263.09360	0.2
265.07224	4.3
291.08801	1.6
309.06183	0.8
315.38632	0.2
327.07260	7.8
328.07617	0.2
329.76736	0.2
353.04977	0.3
353.08795	2.3
365.18298	0.2
371.06229	10.3
372.06485	0.3
379.06485	0.3
389.07321	5.6
397.07764	9.8
398.08026	0.4
415.08887	3.9
431.09412	0.2
595.13129	6.3
596.13257	0.2
782.20435	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.221
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39191	0.1
81.59789	0.1
83.01376	0.1
85.02917	0.6
90.74461	0.1
96.80324	0.1
96.95966	0.7
111.00854	0.2
116.31078	0.1
129.01956	0.2
133.02965	0.2
147.00854	0.1
167.03487	0.5
172.85864	0.1
183.04529	0.1
184.05385	0.2
187.04027	0.8
196.05309	2.1
211.04016	1.4
212.04800	0.5
223.04007	0.1
224.04774	0.7
225.05487	0.2
237.05473	0.6
239.03496	2.4
240.04300	26.4
241.04601	0.8
253.05075	0.2
255.03023	0.6
255.06403	0.1
265.05124	0.2
267.03015	2.2
267.06561	0.4
268.03806	81.9
269.04520	13.6
269.07626	0.2
270.04999	0.6
281.04678	0.3
282.05344	4.6
283.06152	100.0
284.06451	3.9
290.05859	0.6
293.04587	2.0
293.07446	0.2
304.25858	0.1
305.08331	0.3
313.91196	0.1
325.03589	0.5
325.07205	4.3
326.07730	0.2
431.09927	2.0
487.13019	0.2
530.54688	0.1
546.55591	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	963.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	58.8
72.99307	2.4
73.02936	12.2
75.00879	4.0
83.01392	3.6
83.70153	1.8
85.02952	21.5
87.00875	32.0
89.02440	62.8
89.54884	1.7
95.01408	2.0
97.02943	6.9
99.00861	3.5
101.02437	64.6
113.02444	48.6
117.02032	1.6
119.03477	17.6
125.02457	19.5
131.03477	3.8
143.03510	16.8
149.04515	2.5
152.99677	2.0
161.04561	15.1
179.05638	28.8
188.96735	2.2
203.05687	12.4
221.06656	23.4
235.08388	4.1
263.07794	2.8
279.23303	71.4
280.23724	2.1
293.25058	13.3
321.24319	3.5
323.09973	3.1
341.11014	8.2
365.10919	12.7
383.12030	48.4
397.13312	2.5
441.28568	2.4
467.14017	6.4
485.15033	6.4
603.33911	2.1
645.35187	19.6
647.20563	100.0
648.20874	3.1
665.21552	45.5
801.36865	8.4
927.44489	37.3
963.41425	51.8
964.43115	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	963.422
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03497	1.4
70.97176	1.1
71.01378	69.8
72.99289	2.4
73.02940	10.0
75.00842	2.6
81.03439	2.3
83.01410	2.9
85.02955	18.4
87.00874	23.8
89.02437	100.0
92.12417	4.2
95.01389	7.2
97.02934	5.5
99.00886	5.6
101.02433	79.6
111.00877	1.8
113.02435	37.1
119.03490	25.3
125.02428	16.8
129.01971	1.6
131.03488	7.0
143.03503	14.5
161.04549	18.6
167.03569	2.2
179.05609	58.2
203.05666	7.5
203.31799	1.3
221.06677	35.0
235.08279	3.1
256.53726	1.4
279.23312	14.1
281.08795	2.0
323.09836	1.9
341.10992	15.2
365.11026	3.0
383.11993	72.2
384.12427	1.8
397.13541	6.7
443.14069	6.3
467.14041	7.3
485.15079	12.2
494.14792	1.6
503.16476	2.1
645.34863	1.9
647.20502	96.9
648.21173	2.3
665.21588	54.7
666.22430	2.0
751.13861	1.6
791.99762	1.7
801.36292	15.7
927.44360	33.6
963.41693	55.4
964.42773	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	963.6863
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.3
74.11236	0.1
74.15009	0.2
81.03449	5.0
81.55595	0.2
83.05021	16.8
84.89843	0.2
85.02927	0.4
89.02444	0.2
92.12447	0.4
93.03461	0.2
100.07644	0.4
101.02437	0.3
106.08363	0.2
107.06133	0.4
108.04541	0.4
119.05006	0.8
125.02380	0.3
125.07194	1.3
126.05577	0.8
127.47294	0.2
135.04495	0.4
135.54077	0.3
143.08347	0.3
151.00374	0.9
167.03470	0.3
188.04778	0.7
195.06607	0.2
207.15001	1.3
224.17671	3.7
225.16092	14.1
229.92282	0.2
242.18796	0.4
253.93687	0.2
268.03769	0.2
268.16656	0.3
269.04651	1.1
270.04956	0.2
271.06155	1.9
274.51208	0.2
279.10275	1.6
290.22531	0.2
291.10483	0.2
291.20688	0.3
309.21890	1.6
323.09302	0.4
324.26428	0.4
333.23151	0.7
341.29245	1.5
353.10349	0.2
367.27341	1.4
385.28333	0.7
407.33838	0.2
433.31943	2.1
435.48795	0.2
443.13385	1.2
450.34595	1.8
451.32959	14.4
452.33444	0.7
475.12347	0.9
535.38696	0.3
550.43585	1.1
559.39636	0.2
567.46399	1.3
593.44366	0.7
659.48804	0.8
676.50909	0.7
677.49701	3.1
776.60089	1.5
791.61176	0.4
793.62982	0.3
885.65601	1.5
903.66614	100.0
904.66913	7.6
963.40466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	0.4
68.99805	0.3
69.03455	0.3
69.10708	0.2
71.01383	1.4
71.05009	1.6
72.99293	1.2
73.02949	0.3
76.57713	0.3
76.81109	0.2
81.02997	0.5
81.03453	10.4
83.01385	13.1
83.05011	0.3
84.02155	1.8
85.02947	51.1
86.03280	0.5
91.01892	7.3
92.03702	0.2
95.01398	0.4
97.02943	0.5
99.00826	0.6
99.04510	15.7
101.02397	0.3
108.01443	0.5
108.02174	12.9
109.02924	1.4
111.00877	30.2
121.02967	0.3
123.00912	2.5
123.04514	34.5
124.01640	2.2
124.04807	0.3
125.02426	1.0
127.04005	18.3
129.01932	27.0
133.02966	1.2
136.01669	0.3
137.02409	0.3
139.00372	0.5
146.21153	0.3
147.03012	2.5
147.04546	0.3
151.03987	0.3
152.01151	23.9
153.01863	0.3
153.05534	0.4
154.99870	1.1
156.14795	0.2
163.04025	0.3
164.04826	0.6
166.02687	2.2
167.03493	100.0
168.03809	1.3
171.02977	12.8
173.00899	1.1
179.40048	0.3
189.04099	0.4
189.05603	0.5
191.01910	0.6
191.03557	0.3
191.07224	0.4
192.04324	2.6
193.05051	0.4
197.00842	0.5
197.04573	1.2
207.06674	4.2
215.01991	5.7
216.02507	0.3
220.03745	0.5
233.02942	0.3
235.06129	13.4
279.05090	4.9
297.06223	1.2
323.04211	2.4
339.07175	3.3
341.05124	2.0
371.06192	0.4
383.06345	3.4
389.07260	1.1
401.07254	3.4
447.09512	0.3
491.08344	1.8
551.10388	1.9
557.17712	0.3
631.93756	0.3
783.91888	0.3
883.10461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01871	0.4
68.97798	0.2
68.99459	0.3
68.99818	7.5
71.01381	25.2
72.99307	2.6
73.02956	2.5
75.00870	16.5
78.80609	0.2
78.95901	0.2
83.01385	3.5
84.02131	0.2
85.02950	18.4
86.00071	0.3
87.00869	4.7
89.02441	15.0
89.82661	0.2
95.01382	6.3
96.99260	0.3
97.02922	0.8
99.00874	19.3
101.02434	19.2
104.06080	0.2
111.00873	3.0
112.01666	1.3
112.98808	0.8
113.02444	17.3
115.00315	0.7
119.03487	3.8
125.02421	0.2
127.33916	0.2
129.01935	10.7
131.03447	0.9
139.00397	1.6
143.03503	0.4
157.01407	2.2
161.04594	2.0
179.05533	0.3
214.49548	0.2
284.84900	0.2
293.06213	0.2
495.35208	0.2
549.35950	0.4
569.38239	0.3
777.45575	0.3
787.42828	0.2
858.79950	0.2
902.66669	0.2
907.47089	35.4
908.47247	2.8
967.49146	100.0
968.49310	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	967.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99822	1.6
69.03456	0.9
71.01380	23.6
72.99308	2.7
73.02944	7.3
75.00869	11.3
81.03432	0.2
83.01382	3.0
83.17925	0.2
84.02169	0.2
85.02950	20.0
86.00085	1.8
87.00870	7.9
87.04507	2.7
89.02436	9.7
95.01381	4.9
97.02949	0.8
99.00876	12.0
101.02435	12.5
103.04010	3.4
111.00881	0.3
112.01645	1.5
113.02445	16.2
115.00362	0.3
115.04004	3.4
119.03493	2.4
125.02435	0.7
127.03976	0.2
131.03488	5.7
139.00360	1.1
143.03496	7.8
145.05081	1.1
149.99452	0.2
157.01463	1.2
161.04535	1.8
163.06100	2.3
171.47243	0.2
193.05379	0.2
205.07169	4.2
208.23407	0.2
233.06660	0.2
301.05103	0.2
346.91275	0.2
348.84985	0.2
388.78326	0.2
463.35867	0.7
483.38397	0.3
603.40222	0.2
617.58966	0.2
641.40863	0.4
652.68140	0.2
777.64294	0.2
905.52649	0.3
949.51654	1.4
967.52771	100.0
968.53046	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	967.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99803	1.5
69.03440	0.5
71.01379	21.9
72.99306	2.7
73.02940	6.7
74.11425	0.2
75.00864	9.4
83.01387	2.5
83.05019	0.3
84.02143	0.2
85.02945	19.3
86.00077	1.2
87.00863	7.2
87.04512	2.0
89.02437	9.1
92.12357	0.6
95.01384	5.3
97.02924	1.1
99.00865	12.3
99.04463	0.4
101.01758	0.5
101.02428	11.7
103.04012	3.4
111.00848	0.4
112.01656	1.6
113.02440	15.9
115.00304	0.5
115.03976	2.7
119.03472	2.3
127.03991	0.3
131.03488	7.2
139.00343	1.6
143.03490	7.2
145.05045	1.4
157.01479	1.9
161.04523	1.4
163.06097	2.4
163.11415	0.3
205.07167	3.8
215.16069	0.2
421.98944	0.3
436.62936	0.3
463.36322	0.4
530.69598	0.3
588.71729	0.3
641.40863	0.5
863.44702	2.4
864.44843	0.9
905.51605	0.4
949.51154	1.5
967.52722	100.0
968.53058	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	969.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	6.7
72.93998	0.5
72.99291	0.6
73.02933	1.1
81.03410	0.5
83.01381	0.8
85.02935	4.8
85.50625	0.4
89.02428	4.4
99.04508	18.2
101.02437	11.1
111.00874	2.3
121.02938	3.0
125.02441	8.1
127.03947	0.6
129.01926	1.1
134.03728	0.8
145.07719	4.5
153.05588	1.9
159.09213	0.6
160.06392	12.1
161.04520	9.0
161.07201	37.2
162.00452	0.5
162.07571	0.5
167.03525	0.8
171.09335	0.7
173.10852	1.0
175.08760	34.2
182.02267	0.8
183.09300	0.7
185.10870	1.1
187.08780	5.8
189.06691	92.9
190.07039	1.9
193.05048	2.0
197.04530	4.1
199.08760	0.6
201.10350	8.1
203.08273	43.3
203.11884	12.9
215.08351	0.5
217.09946	0.8
229.09818	22.4
230.10120	0.6
245.09245	0.7
253.05066	53.2
254.05386	0.6
277.12054	4.2
304.05063	0.5
305.11453	50.7
306.11856	0.8
323.12500	100.0
324.12799	2.1
332.64447	0.5
365.13516	15.6
405.16800	2.8
467.16730	58.4
468.17157	2.2
592.89093	0.7
793.85876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	0.2
67.15927	0.2
68.99823	0.4
71.01382	3.6
72.99306	0.3
73.02940	0.8
75.00880	0.2
81.03448	0.2
83.01388	4.7
84.02177	2.0
84.89538	0.2
85.02950	100.0
86.03333	0.8
87.00876	1.0
88.24235	0.2
89.00362	0.3
89.02454	0.2
99.00835	0.3
99.99236	0.2
101.02424	2.0
103.00333	0.4
106.00568	0.3
108.02180	0.3
109.02909	0.3
111.00880	10.9
113.02467	0.4
117.03443	0.5
121.02949	5.1
123.00883	0.4
123.04520	0.9
124.01627	0.3
129.01938	29.6
133.01399	0.2
134.03734	11.4
137.02400	0.4
138.03238	1.6
139.00372	1.3
145.01479	0.5
147.03000	10.9
149.06133	1.7
152.01193	0.3
153.05563	4.5
157.12352	0.4
160.01688	0.9
163.03992	0.3
166.99911	0.4
167.03479	1.7
173.00899	10.4
173.02393	0.4
175.03973	1.9
178.02757	0.5
182.02232	1.5
191.01982	12.1
191.03673	0.4
193.05058	11.0
196.03827	0.3
197.04559	10.2
197.06270	0.4
203.12936	1.3
209.03020	3.3
222.05377	0.5
237.07703	0.8
240.04396	0.2
253.05193	0.5
261.07693	0.5
265.07175	3.0
268.03815	1.6
269.04562	7.6
270.04822	2.2
271.05359	0.3
283.06137	1.1
297.06271	0.5
309.06171	0.5
323.07745	0.5
327.07236	5.9
335.13644	0.3
341.05276	1.0
347.17212	1.4
359.06326	1.2
365.18216	5.6
367.06778	9.7
367.11462	0.4
371.06204	5.2
385.07779	3.6
389.07321	7.6
397.07840	0.3
407.19287	14.1
479.91443	0.3
565.11963	3.4
566.11591	0.2
628.33899	0.3
831.77686	0.3
839.59839	0.3
862.27460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00738	1.2
71.01380	18.4
72.45736	1.1
72.99305	2.0
73.02933	4.8
75.00850	5.8
83.01386	1.8
85.02940	16.6
87.00859	5.2
89.02405	6.4
94.84969	1.0
95.01372	2.7
97.49586	1.1
99.00852	17.4
101.02438	8.3
102.32272	1.2
103.03986	1.8
104.36632	1.0
106.41744	1.1
107.52065	1.2
113.02448	14.7
115.03988	2.3
131.03456	4.8
143.03531	2.2
163.06171	1.5
173.16115	1.2
205.07065	2.0
250.63280	1.3
280.61069	1.2
388.77005	1.3
437.30728	2.1
447.08496	1.2
485.32657	5.6
588.00165	1.4
599.36096	6.5
643.25281	1.3
643.34515	8.5
661.79041	1.3
819.53467	1.3
951.46027	1.5
969.46997	100.0
970.46509	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	969.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	1.6
69.03442	0.7
71.01380	24.0
72.17595	0.3
72.99296	2.9
73.02949	5.4
75.00870	11.4
83.01385	3.2
84.02134	0.6
85.02945	21.7
86.00076	0.9
87.00864	8.8
87.04505	2.0
89.02437	9.9
94.41769	0.4
95.01376	4.5
99.00874	11.3
101.02435	13.1
103.03989	2.9
111.00898	0.4
112.01675	0.8
113.02439	14.8
113.41338	0.4
115.00414	0.5
115.04029	3.4
119.03500	2.8
125.02399	0.6
127.04000	0.5
131.03484	7.6
139.00348	1.8
143.03496	7.9
145.05066	1.5
157.01404	1.6
161.04550	0.6
163.06133	2.7
205.07233	5.1
254.69978	0.4
264.89841	0.4
294.98605	0.4
325.99561	0.4
350.66547	0.5
394.64612	0.5
414.51590	0.4
427.53006	0.4
475.11267	0.4
525.53845	0.4
643.38751	0.6
951.49945	0.5
969.50745	100.0
970.50842	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	969.5442
Annotation	Ginsenoside Re
Peak:m/z	Relative Intensity
68.99807	0.7
70.28234	0.6
71.01384	20.7
72.99297	3.7
73.02935	5.0
75.00885	10.5
76.66832	0.7
78.95894	3.4
83.01390	1.3
85.02948	16.2
86.00098	1.7
87.00870	8.6
87.04515	1.3
89.02450	7.0
95.01341	1.6
99.00900	10.9
101.02441	4.4
103.03986	1.2
110.96825	0.8
113.02438	15.5
115.03967	1.9
118.63924	0.8
131.03473	8.9
136.97931	0.9
143.03500	9.1
152.99506	0.9
157.01439	1.2
181.99792	1.0
205.07191	2.9
255.23256	3.4
256.23764	1.7
907.93225	0.9
962.73309	0.9
969.54376	100.0
970.54248	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	971.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	1.2
71.01383	23.9
72.99298	2.4
73.02943	4.1
75.00862	8.9
83.01379	3.2
85.02464	1.1
85.02950	22.3
86.00101	0.6
87.00858	6.7
87.04487	0.6
89.02431	10.6
95.01378	6.8
99.00883	14.3
101.02427	14.0
112.01635	0.7
113.02445	17.8
115.04002	0.6
119.03521	3.3
131.03468	6.0
139.00383	2.4
143.03503	3.4
157.01451	1.2
161.04500	5.2
179.05638	0.8
186.50317	0.7
205.07314	0.9
221.06624	4.8
233.13965	0.6
273.30774	0.6
355.03604	0.7
423.33084	2.2
439.32428	0.7
459.34564	0.9
471.34705	0.9
487.34680	1.0
573.37744	2.1
585.38263	1.0
601.37531	2.2
629.36792	0.7
645.37335	0.9
675.09583	0.6
809.43903	1.1
911.50623	1.2
953.47321	0.9
971.48700	100.0
972.48712	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	971.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	31.2
72.99302	5.8
73.02938	10.9
75.00862	15.8
83.01366	4.9
85.02951	27.7
87.00877	10.4
89.02437	15.4
95.01356	6.6
99.00874	17.1
101.02438	22.1
103.04032	4.8
113.02443	25.4
115.03984	1.6
119.03485	5.2
131.03487	8.1
139.00395	1.7
143.03482	10.8
146.63449	1.1
157.01396	1.8
159.03000	2.5
161.04570	2.7
163.02495	1.9
163.06148	4.5
191.02031	1.7
205.07172	8.9
221.06772	1.4
255.08481	1.2
309.81805	1.3
379.24689	1.5
639.24847	2.1
801.38708	2.3
911.49890	16.9
926.48944	15.6
935.46057	1.8
939.46082	2.2
953.47766	2.4
964.13306	1.5
971.48669	100.0
972.49567	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	971.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	1.5
69.03445	0.5
71.00985	0.7
71.01379	19.1
71.34130	0.3
72.85207	0.3
72.99308	2.5
72.99670	0.3
73.02950	5.3
73.35480	0.3
75.00866	8.0
79.30436	0.3
83.01385	2.3
85.02946	17.0
86.00089	1.3
87.00866	6.4
87.04509	1.2
89.02438	7.4
92.11720	0.7
95.01370	4.5
97.02948	0.7
99.00869	18.2
101.02435	10.8
103.04013	2.6
111.00853	0.4
112.01677	0.5
113.02440	13.6
115.00371	0.6
115.04018	2.0
119.03490	2.1
120.74163	0.3
125.02418	0.4
129.01923	0.5
131.03484	5.5
139.00357	1.1
143.03484	5.5
145.05048	0.5
157.01416	1.8
161.04559	1.7
163.06143	1.2
163.51772	0.3
205.07149	2.7
213.55733	0.3
269.04623	0.3
300.42801	0.3
323.33893	0.3
379.30380	0.4
399.32657	0.6
423.32751	0.4
487.34473	0.4
552.05255	0.3
889.91528	0.4
911.47504	0.5
953.46997	0.6
971.48608	100.0
972.48962	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	971.5233
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	1.0
69.03456	0.8
71.01379	20.1
72.99303	2.5
72.99677	0.1
73.02943	6.1
75.00867	10.6
81.03445	0.1
83.01388	2.0
84.02151	0.3
85.02947	19.4
86.00096	1.5
87.00868	8.1
87.04507	2.7
89.02439	6.3
92.12448	0.2
95.01383	2.9
97.02945	0.4
99.00872	11.6
99.04493	0.3
101.02435	5.3
103.04009	2.4
111.00895	0.5
112.01650	1.1
113.02448	15.8
115.00346	0.4
115.04007	3.9
119.03485	1.1
121.81804	0.1
125.02427	0.5
127.00395	0.1
127.04032	0.4
129.01955	0.2
131.03494	12.3
137.02531	0.1
139.00357	1.0
143.03505	9.6
145.01466	0.1
145.05055	1.6
146.13376	0.1
149.04535	0.2
157.01410	1.8
159.03056	0.1
161.04526	0.2
163.02499	0.3
163.06116	2.1
189.03983	0.1
191.01924	0.7
205.07178	6.2
247.08284	0.5
277.09235	0.1
350.94336	0.1
383.78009	0.1
391.30219	0.4
397.35416	0.1
407.33521	0.3
409.35010	0.2
425.34494	0.1
432.91345	0.1
437.34247	1.1
457.36938	1.3
501.36304	0.3
615.39172	1.1
747.43591	0.1
893.49164	0.4
911.50159	100.0
912.50494	7.7
953.47504	0.2
971.48291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99811	0.1
69.03441	0.1
71.00986	0.1
71.01381	4.0
73.02944	3.7
83.01385	1.2
85.02942	1.1
88.71493	0.1
89.02441	1.4
90.69861	0.1
91.01888	0.2
92.12498	0.1
95.01367	0.3
99.00860	0.1
101.02436	4.2
107.01371	0.7
109.02955	0.1
113.01710	0.1
113.02449	2.2
117.03532	0.1
119.03493	0.6
121.06573	0.1
123.04485	0.1
125.02432	0.3
128.12898	0.1
131.03477	0.5
132.02205	0.3
133.02953	1.8
135.00899	0.1
135.04523	0.3
137.09726	1.3
143.03488	0.3
149.04575	0.8
151.00317	0.1
153.01912	0.2
155.04976	0.1
157.02931	0.3
159.04524	0.9
161.02469	0.1
161.04553	1.7
169.06606	0.3
171.04414	0.1
179.05539	0.1
180.05763	0.5
181.06583	1.2
183.04477	0.7
189.12834	0.2
196.05269	0.5
197.06102	0.6
199.04066	0.2
201.05586	1.1
203.05577	0.1
209.06133	0.3
213.05579	0.4
221.06706	0.7
223.04070	0.1
223.82227	0.1
224.04825	0.7
225.05612	1.1
227.03528	0.3
237.05515	0.1
239.03403	0.5
240.04318	0.3
241.05034	0.4
253.05135	0.8
265.05081	0.1
267.03058	0.5
268.03787	6.9
269.04565	100.0
270.04883	2.5
271.06186	0.2
281.04648	0.1
283.06137	0.4
291.06699	0.8
293.04700	0.1
311.05621	4.6
312.05902	0.1
335.05670	0.5
353.06897	0.2
411.20236	0.4
473.10971	0.1
750.57245	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	973.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
67.96379	0.3
68.99808	1.5
71.01384	22.9
72.99280	1.7
73.02941	3.6
75.00870	8.3
83.01389	4.1
84.02180	0.4
85.02950	25.2
86.00098	0.7
87.00869	6.1
89.02445	14.9
92.12366	0.6
94.06863	0.3
95.01380	6.7
96.51477	0.3
97.02937	0.7
99.00872	10.7
101.02436	18.1
107.80494	0.3
111.00866	0.5
112.01650	0.7
113.02446	19.1
115.03980	0.3
119.03501	5.5
125.02353	0.4
129.01962	0.4
131.03520	6.2
137.12207	0.3
139.00366	2.5
143.03493	2.2
144.76186	0.3
157.01430	0.8
159.02980	1.9
161.04565	10.3
179.05603	3.7
221.06703	11.9
253.05080	0.4
453.33890	0.4
469.33069	0.4
514.48688	0.3
613.36981	0.4
631.38568	0.5
955.49274	1.3
973.50232	100.0
974.50085	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	973.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99817	1.8
69.03452	0.9
71.01382	23.1
72.46454	0.4
72.99309	7.9
73.02581	0.6
73.02948	8.6
75.00871	8.4
83.01405	3.2
85.02948	18.2
85.03472	0.6
87.00864	8.3
87.04493	1.8
89.02438	10.8
95.01370	4.8
97.02951	0.7
99.00877	9.0
101.02436	21.0
103.03999	3.8
111.00883	0.8
113.02453	14.8
115.00325	0.6
115.04006	2.6
119.03503	3.1
129.01932	0.9
131.03482	5.8
133.01407	1.0
139.00378	0.7
143.03505	6.7
145.01462	3.5
145.05086	2.3
157.01404	1.9
159.02969	7.4
161.04588	1.8
163.02467	8.1
163.06139	5.4
165.04092	0.5
191.01987	5.4
205.07196	6.7
223.16859	0.5
247.08243	0.6
249.41731	0.4
313.12686	0.5
381.19159	0.7
383.20834	1.8
483.13776	0.7
501.14023	0.5
542.54266	0.5
572.50043	0.6
583.88190	0.5
639.24786	0.5
677.30719	0.9
691.28607	1.9
707.31171	5.8
738.29694	0.5
740.31067	0.9
773.54724	0.5
873.10150	0.5
910.59991	0.5
955.48627	1.6
973.50159	100.0
974.50238	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	974.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99820	1.0
69.03448	0.5
71.01378	24.2
71.04990	0.3
72.01703	0.8
72.99294	2.4
73.02942	6.9
75.00866	12.8
76.58066	0.2
83.01384	2.2
84.02157	0.4
85.02945	22.9
86.00081	1.4
86.03285	1.0
87.00868	10.1
87.04504	3.0
88.01193	0.3
89.02435	8.0
90.02808	0.2
95.01366	3.2
97.02927	0.4
99.00874	13.5
99.04520	0.3
100.01179	0.4
101.02426	5.4
103.04007	2.6
111.00869	0.4
112.01640	1.6
113.02444	18.7
114.02766	1.2
115.00327	0.8
115.04003	4.9
118.31686	0.2
119.03490	1.4
125.02470	0.3
127.04028	0.3
129.01917	0.3
131.03491	15.2
132.03864	0.3
139.00378	1.7
143.03494	10.7
144.03812	0.4
145.04062	0.2
145.05055	1.5
149.04581	0.4
157.01425	2.1
159.03134	0.2
163.06100	2.3
205.07170	8.6
206.07463	0.3
247.08150	0.5
391.30066	0.4
399.89407	0.2
437.34317	0.5
457.36813	1.4
615.39124	1.1
771.24860	0.2
795.45514	0.3
893.49390	0.3
911.50201	100.0
912.50562	13.6
913.50775	7.7
914.51117	22.5
915.51837	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99828	0.0
71.01380	0.3
73.02940	0.5
83.01380	0.3
89.00327	0.1
89.02448	0.0
91.01878	0.4
92.12368	0.1
94.62586	0.0
101.02451	0.3
107.01390	0.7
113.02476	0.1
114.30610	0.0
117.03458	0.1
121.02981	0.1
123.04495	0.2
131.05000	0.0
132.02126	0.4
133.02943	2.3
135.00903	0.4
135.04524	0.4
149.04640	0.0
151.00371	0.3
153.01933	0.2
154.04021	0.0
155.05035	0.1
157.02953	0.4
157.06651	0.1
158.03740	0.0
159.04527	1.0
161.02440	0.2
161.04498	0.0
169.06586	0.5
171.04539	0.2
173.06020	0.1
180.05794	0.7
181.06587	1.3
182.03754	0.1
183.04518	0.8
185.05893	0.0
195.04530	0.2
196.05295	0.5
197.06042	0.8
199.04015	0.5
201.05591	0.9
208.05193	0.0
209.06033	0.4
211.03986	0.2
212.04697	0.1
213.05609	0.5
223.03996	0.2
224.04816	1.3
225.05583	1.3
226.02702	0.1
227.03455	0.4
237.05443	0.1
239.03461	0.5
239.07205	0.0
240.04408	0.4
241.05106	0.5
246.06735	0.0
252.04300	0.3
253.05075	3.6
254.05431	0.1
255.06645	0.2
265.05148	0.2
267.03058	0.6
268.03793	8.1
269.04562	100.0
270.04895	2.1
271.06058	0.3
281.04605	0.1
283.06155	0.4
291.06714	0.9
293.04587	0.1
297.04050	0.0
307.05991	0.1
311.05624	5.1
312.06000	0.1
335.05682	0.5
340.72202	0.0
353.06641	0.3
413.08859	0.1
457.11380	0.1
473.10828	1.3
521.62164	0.0
714.08380	0.0
923.31616	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99806	0.0
69.41700	0.0
70.19450	0.0
71.01385	1.4
72.99290	0.1
73.02534	0.1
73.02943	2.6
73.07016	0.0
74.26443	0.0
83.01396	0.7
85.02950	0.3
86.04166	0.0
89.02443	0.4
91.01871	0.3
92.11706	0.1
95.88543	0.1
101.02432	2.0
107.01395	0.7
113.02448	0.7
117.03500	0.1
119.03490	0.1
131.03499	0.2
132.02145	0.4
133.02953	1.7
135.00911	0.2
135.04529	0.3
143.03499	0.2
149.04552	0.3
151.00418	0.1
152.06442	0.1
153.02011	0.1
155.05048	0.1
157.02940	0.3
157.06577	0.1
159.04532	0.9
161.02419	0.1
161.04539	0.6
169.06590	0.3
171.04538	0.1
175.58420	0.0
176.01175	0.1
180.05791	0.6
181.06586	1.1
182.03729	0.1
183.04539	0.7
195.04507	0.1
196.05328	0.5
197.06094	0.7
199.04080	0.3
201.05583	1.1
209.06097	0.3
211.04060	0.1
213.05620	0.3
221.06767	0.2
224.04816	0.9
225.05614	0.9
227.03479	0.2
239.03590	0.3
239.07391	0.1
240.04292	0.4
241.05063	0.3
253.05078	0.9
265.05060	0.1
267.03143	0.5
268.03799	6.3
269.04578	100.0
270.04904	3.4
271.05991	0.1
279.06290	0.1
281.04648	0.2
282.05377	0.1
283.06113	0.3
289.43497	0.1
291.06610	0.7
307.06058	0.1
311.05655	5.4
312.05933	0.1
314.03934	0.1
319.23914	0.1
335.05713	0.4
353.06766	0.3
413.09015	0.1
604.84906	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	975.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99797	0.8
70.24635	0.6
71.01381	16.6
73.02939	5.3
75.00868	8.3
78.95902	54.9
83.01394	1.2
85.02946	16.0
86.00085	1.3
87.00880	6.7
87.04500	1.1
89.02433	6.9
95.01385	1.3
96.96949	4.4
99.00874	10.6
101.02425	4.1
103.04004	2.7
107.32877	0.6
112.01621	0.8
113.02447	15.5
115.03990	3.2
131.03473	10.4
143.03505	7.7
145.05168	0.7
152.99599	13.5
157.01434	1.5
163.06183	1.6
171.00642	14.2
205.07147	6.7
402.24261	1.6
456.83167	0.8
476.27884	43.0
477.28314	1.4
939.49750	100.0
940.49939	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	975.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	1.2
71.01382	26.0
72.99311	2.1
73.02944	4.8
75.00870	8.0
83.01392	4.4
85.02953	16.0
86.00068	0.3
87.00867	4.7
89.02444	13.0
95.01389	5.0
96.95969	0.3
97.02944	1.6
99.00877	10.4
101.02438	16.9
111.00912	0.8
112.01616	0.3
113.02444	17.0
119.03497	4.4
121.02962	0.8
125.02422	1.3
129.01939	0.7
131.03503	6.7
134.03745	5.1
137.02435	0.6
139.00378	1.3
143.03502	1.7
149.02490	1.4
149.04611	0.4
149.06082	0.7
150.03252	3.9
157.01450	0.6
159.02960	1.1
161.04556	9.0
161.05856	0.4
165.05597	4.2
178.02676	2.2
179.05576	2.5
193.05049	7.5
195.06683	1.8
221.06680	8.1
239.36824	0.3
253.05095	3.2
254.05460	0.4
254.68675	0.3
263.07791	0.5
268.03662	0.4
269.04553	4.5
270.04919	0.5
283.06177	0.7
284.06494	0.5
317.11185	0.3
341.10379	2.2
342.88370	0.3
389.12360	2.3
425.34476	1.4
428.73529	0.3
473.36374	5.5
474.36945	0.4
475.37967	0.5
543.40527	7.7
587.39691	1.4
735.29126	0.7
953.95123	0.4
957.50616	1.7
959.52380	0.5
975.51935	100.0
976.52393	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	975.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
74.39522	0.4
78.75145	0.4
78.95911	19.7
89.92723	0.4
92.12395	2.0
108.47031	0.4
122.00130	1.6
140.00212	0.4
140.01210	7.7
152.99567	3.1
196.03812	9.6
214.04829	2.6
236.70129	0.4
279.23309	100.0
280.23627	4.0
405.72504	0.5
464.96759	0.4
476.27875	62.9
477.28241	2.6
538.17023	0.6
939.49432	0.8
975.54565	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	976.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99831	0.4
69.30737	0.2
69.43456	0.2
71.01398	2.0
72.99337	0.3
73.02962	0.8
75.00921	0.2
83.01398	4.9
84.02186	1.7
85.02964	100.0
86.03316	0.4
87.00879	0.5
89.00320	0.3
89.02408	0.2
92.12344	0.2
99.04509	0.2
101.02467	1.7
103.00395	0.4
106.00541	0.2
111.00890	11.6
119.03481	0.3
119.05019	0.2
121.02956	9.7
123.00884	1.4
125.02450	0.2
127.00323	0.3
129.01942	41.0
130.02330	0.2
131.03773	0.5
132.04547	1.1
136.98778	0.2
137.02380	0.3
138.03194	2.1
139.00378	1.2
139.04008	0.4
147.03015	9.0
147.04489	0.9
149.02455	14.4
151.00414	0.2
152.01215	0.3
153.05580	7.6
153.06824	0.2
154.99875	0.3
163.04025	0.4
164.04796	10.9
164.06180	0.4
164.59334	0.2
165.03848	0.2
165.05209	0.3
166.99806	1.2
171.28445	0.2
173.00920	10.4
173.60667	0.2
175.00380	0.3
177.01935	0.3
179.03412	0.2
179.07153	1.9
182.02188	3.2
190.02707	2.0
191.01978	6.7
193.01427	0.8
193.05116	0.2
196.03766	0.3
197.04582	16.6
198.04755	0.2
205.05095	2.4
207.03032	0.2
208.03783	1.8
209.03059	1.6
211.06180	0.3
222.05331	1.2
223.06149	17.3
224.06363	0.4
237.07690	1.2
237.85225	0.2
248.06946	0.2
250.05037	0.2
265.07220	4.5
268.04187	0.2
271.06177	0.4
291.08859	1.9
309.06140	0.5
327.07254	8.4
336.10806	0.4
353.08884	1.9
371.06232	8.8
372.06573	0.3
389.07254	5.0
397.07813	9.1
398.07690	0.3
415.08911	4.0
443.19131	0.9
587.23456	1.3
588.23602	0.4
595.13202	4.8
852.49426	0.2
1012.74084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	0.9
69.03440	0.5
71.01382	16.5
71.12000	0.1
72.99309	2.0
73.02944	5.4
75.00453	0.3
75.00869	7.7
82.74004	0.1
83.01385	2.5
84.02200	0.2
85.02953	16.7
86.00095	1.0
87.00352	0.2
87.00879	5.3
87.04516	1.6
89.02444	7.7
95.01385	4.0
97.02932	0.7
97.62640	0.1
99.00877	9.5
99.04525	0.3
101.02435	10.9
103.04017	3.0
103.39117	0.2
111.00874	0.3
112.01660	0.9
113.02448	12.6
115.00326	0.6
115.04005	3.3
119.03491	2.1
123.42028	0.1
125.02416	0.7
129.01967	0.2
131.02579	0.3
131.03500	5.1
137.89116	0.1
139.00360	1.4
143.03500	6.3
145.05060	1.6
157.01447	1.5
161.04529	1.7
163.06116	3.0
177.15479	0.1
193.16805	0.1
205.07199	5.3
210.38275	0.2
210.67154	0.1
247.08235	0.6
272.01767	0.1
307.10107	0.2
437.34445	0.8
457.37134	1.0
581.97266	0.2
615.38788	1.2
633.83521	0.2
742.27411	0.2
792.41473	0.2
795.44324	0.3
923.49359	0.3
941.51141	100.0
942.51367	12.0
943.51831	0.5
944.52216	0.2
1011.51447	0.8
1012.51868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.6063
Annotation	Unknow
Peak:m/z	Relative Intensity
77.89152	0.2
78.95899	13.3
81.43104	0.2
92.88079	0.2
96.96969	1.0
114.92525	0.2
116.92898	0.3
152.99590	31.0
171.00653	1.5
181.53560	0.3
227.03294	4.1
245.04347	1.2
255.23325	100.0
256.23590	2.7
268.03821	0.3
331.60034	0.3
483.27356	65.4
484.27789	3.2
763.78137	0.4
863.17755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49580	0.3
68.99814	0.4
69.36653	0.2
70.19082	0.2
71.01392	2.0
72.99286	0.4
73.02953	0.6
75.00884	0.3
77.46502	0.2
83.01402	4.0
84.02188	1.6
85.02956	100.0
85.27104	0.2
86.03286	0.5
87.00863	0.5
93.03477	0.3
101.02432	0.5
103.00384	0.5
110.26965	0.3
111.00880	11.3
115.00383	0.4
115.09348	0.2
117.03472	1.7
121.02937	7.1
123.00886	1.4
123.04490	0.5
129.01936	39.4
132.02151	0.4
134.03728	20.4
135.77960	0.3
137.02429	0.5
138.03218	2.2
139.00415	1.2
139.04080	0.4
145.01390	0.3
147.02998	9.2
148.03218	0.3
149.02457	1.3
149.06097	3.0
149.16887	0.2
152.01094	0.3
153.05577	6.9
160.01596	2.1
164.04823	0.4
166.99878	0.6
167.03516	1.6
173.00905	10.5
175.04002	3.6
178.02722	1.6
182.02219	2.6
190.02728	0.3
191.01979	6.1
193.05064	16.2
196.03874	0.3
197.04568	13.2
209.03073	1.5
211.06186	0.4
218.05879	0.4
222.05330	0.5
223.06160	0.5
237.07729	1.6
241.72910	0.2
246.25536	0.3
258.22375	0.2
261.07745	1.4
265.07132	2.7
277.66046	0.3
297.05792	0.3
309.06213	0.4
323.07758	2.0
327.07202	7.0
367.06699	8.0
368.07156	0.4
371.06223	8.5
385.07739	3.4
389.07272	4.8
397.07669	0.4
468.79422	0.3
565.12061	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	981.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99826	0.8
71.00986	0.8
71.01377	21.6
72.99303	1.7
73.02947	5.7
75.00865	10.7
83.01389	1.2
85.02946	21.6
86.00097	1.0
87.00855	8.6
87.04504	2.8
89.02451	6.0
95.01367	3.1
99.00868	13.6
101.02420	3.6
102.91271	0.8
103.03999	0.8
112.01601	0.8
113.02439	19.4
115.04002	1.3
119.03534	1.3
131.03513	8.2
138.62643	0.7
143.03482	6.8
145.05078	1.0
163.06158	1.1
205.07193	4.1
219.13213	0.7
527.37585	1.1
641.40344	0.9
789.14307	0.8
837.46783	1.3
937.51538	3.0
981.50677	100.0
982.50854	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	983.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	0.7
76.57685	0.1
85.02940	0.3
89.02439	0.3
91.01875	0.2
92.11703	0.7
99.00904	0.2
107.01411	0.6
113.02414	0.2
131.48109	0.1
132.02161	0.2
133.02951	1.9
135.04492	0.2
153.01932	0.2
157.03018	0.2
157.06558	0.2
159.04561	0.3
167.64487	0.1
169.06604	0.3
180.05806	0.6
181.06607	0.8
183.04520	0.7
195.04462	0.2
196.05266	0.3
197.06081	0.3
199.04135	0.2
201.05565	0.8
211.04112	0.3
213.05592	0.3
223.04039	0.3
224.04822	1.1
225.05586	1.0
227.03387	0.2
234.91214	0.1
239.03493	0.9
240.04213	0.3
241.04977	0.5
241.16089	0.2
253.05370	0.2
267.03067	1.5
268.03802	12.0
269.04575	100.0
270.04855	2.0
311.05612	0.3
316.56934	0.2
347.14960	0.8
409.38635	0.1
473.10986	8.9
474.11093	0.3
493.29443	0.2
509.08649	10.4
509.20682	0.5
542.08527	0.2
739.50311	0.1
847.32269	0.2
959.52142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	0.3
70.06821	0.2
71.01379	2.1
72.99307	0.8
73.02928	0.3
75.00882	0.3
83.01385	4.9
84.02171	2.0
85.02947	100.0
86.03270	0.3
87.00877	0.9
89.00303	0.3
98.06956	0.2
99.00895	0.2
101.02423	0.6
103.00355	0.9
106.00626	0.3
111.00879	12.8
115.00352	0.3
117.03484	0.2
121.02947	9.4
123.00864	1.5
127.00348	0.3
127.36473	0.2
129.01938	33.5
132.02206	0.3
135.04543	0.2
137.02515	0.2
138.03224	2.4
139.00371	2.0
139.04036	0.9
139.19893	0.2
145.01418	0.3
147.02003	0.3
147.03004	10.5
147.04503	1.1
149.02446	16.9
152.01181	0.3
153.05580	6.6
154.99953	0.3
163.03961	0.7
164.04799	12.6
166.99884	1.1
173.00916	12.7
179.03532	0.3
179.07167	1.5
181.01430	0.3
182.02188	2.4
188.15883	0.2
189.01994	0.2
190.02759	1.0
191.01985	7.4
191.03581	0.4
192.99762	0.2
193.01372	0.5
193.05009	0.3
196.03770	0.7
197.04558	12.8
198.04825	0.2
205.05057	2.1
207.03018	0.7
208.03847	1.2
209.03046	1.8
211.06210	0.9
222.05281	1.5
223.06145	16.7
224.06407	0.3
225.94247	0.2
237.07680	1.5
248.07104	0.2
250.04796	0.3
265.07190	4.2
291.08826	1.2
309.06314	0.6
316.44650	0.3
327.07251	9.9
328.07541	0.3
353.05212	0.5
353.08694	1.4
369.33426	0.2
371.06192	9.5
389.07285	5.8
397.07782	16.7
398.08347	0.4
415.08810	3.8
447.40308	0.2
577.12213	0.2
595.13129	6.5
596.13800	0.4
751.04083	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99822	0.3
71.01374	1.9
72.99300	0.3
73.02918	0.7
75.00867	0.3
83.01384	4.3
84.02163	1.7
85.02943	100.0
86.03269	0.3
87.00864	1.0
89.00321	0.2
91.01842	0.2
95.01360	0.3
100.21941	0.1
101.02427	1.1
103.00357	0.7
106.00583	0.6
111.00872	10.6
119.05004	0.2
121.02937	10.0
123.00889	1.4
125.02374	0.3
127.00375	0.3
129.01926	39.6
130.02235	0.3
135.04414	0.2
137.02409	0.3
138.03238	1.8
139.00366	1.6
139.03981	0.9
145.01401	0.6
145.74895	0.2
147.03003	8.2
147.04497	1.1
149.02432	14.9
153.05563	8.0
153.46608	0.2
154.99876	0.2
163.04022	0.7
164.04785	11.8
165.01872	0.2
166.99802	1.1
173.00891	11.4
175.00499	0.2
177.01993	0.2
179.03412	0.2
179.07123	1.8
181.01344	0.2
181.05049	0.1
182.02199	3.7
190.02705	2.1
191.01962	7.8
193.01425	0.9
194.05556	0.2
196.03767	0.8
197.04550	17.1
205.05087	2.8
208.03760	1.6
209.03027	1.5
211.06155	0.3
217.01640	0.2
222.05269	0.8
223.06120	16.4
233.04382	0.2
237.07631	0.9
250.04767	0.3
253.19394	0.2
265.07172	4.1
291.08691	1.4
309.06232	0.4
327.07217	9.2
353.05237	0.2
353.08841	1.7
371.06192	9.5
387.16565	0.7
389.07306	5.3
397.07767	8.5
406.27179	0.2
415.03748	0.2
415.08911	4.5
416.08749	0.2
479.58499	0.2
595.04291	0.2
595.13226	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	983.523
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	1.9
71.01385	24.0
72.99286	0.9
73.02942	3.6
75.00872	7.8
83.01385	3.8
85.02951	24.2
86.00094	0.9
87.00874	5.6
89.02447	15.3
95.01377	6.0
97.02932	0.6
99.00249	0.5
99.00877	9.0
100.50805	0.3
101.02444	16.2
106.87782	0.4
111.00860	0.5
112.01678	0.9
113.02454	18.8
113.03258	0.6
119.03490	5.8
125.02351	0.4
129.01918	0.4
131.03500	7.0
134.57674	0.4
139.00395	2.7
143.03508	2.2
159.02972	0.7
161.04564	10.8
179.05611	2.4
183.13933	0.8
185.98602	0.4
196.38823	0.4
221.06685	8.5
263.07706	0.5
279.23358	2.4
297.24377	2.3
304.12415	0.4
358.79254	0.5
379.24582	0.8
566.16583	0.5
965.51056	1.7
983.52277	100.0
984.52637	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	984.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99799	1.6
69.03447	0.6
69.95207	0.3
71.01383	14.2
72.99297	1.6
73.02935	1.2
75.00867	8.7
83.01388	2.2
83.82542	0.3
85.02947	10.1
86.00024	0.3
87.00427	0.3
87.00871	2.7
89.02439	8.9
89.62238	0.3
95.01382	3.8
97.02957	2.6
99.00874	11.4
101.02444	11.0
111.47861	0.3
112.01656	0.4
113.02447	9.2
113.03171	0.3
115.00356	0.5
119.03490	1.9
125.02432	4.3
131.03488	0.5
139.00400	0.7
157.01439	1.7
161.04581	1.4
208.92780	0.3
217.56738	0.4
232.04666	0.3
267.91742	0.3
298.34384	0.4
583.40417	0.4
677.98651	0.4
821.47943	0.5
921.48596	100.0
922.49268	5.0
923.48065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	2.8
72.16057	0.6
73.02940	1.1
76.30187	0.7
80.25630	0.8
81.03452	4.3
83.01385	8.0
85.02943	2.5
93.03427	3.2
96.96007	0.8
99.00845	0.9
101.02406	1.2
107.01382	7.4
108.02167	6.4
109.02911	2.6
111.00877	0.9
113.02444	1.1
117.03460	2.8
119.05032	0.9
121.02959	2.7
123.04515	4.1
124.01645	1.3
125.02431	79.8
130.15338	0.6
131.05000	1.2
133.02969	3.0
135.04568	0.7
137.02451	0.7
143.56810	0.7
145.03012	0.9
149.02438	2.9
151.00363	21.1
152.01161	21.8
153.01910	5.1
157.06538	1.5
158.03758	1.0
159.04510	2.8
163.00330	2.8
167.03503	18.8
169.01456	1.0
169.06505	0.8
172.05334	2.8
173.06056	10.2
175.04042	1.4
176.01160	5.4
177.05592	7.3
178.99870	11.8
181.06555	1.2
181.08794	0.8
185.58073	0.6
197.06035	2.4
199.03941	1.3
199.07663	3.0
200.04846	0.8
201.05580	10.4
209.04616	4.7
213.05600	1.4
215.07150	10.9
219.06609	1.3
219.89281	0.7
224.88602	0.7
225.05511	3.0
240.04558	0.7
241.05083	6.0
243.06593	11.5
253.05064	3.7
259.06110	100.0
260.06464	3.3
269.04556	65.6
270.05023	1.5
287.05630	73.0
288.06100	1.3
297.93387	0.7
327.93109	0.7
360.66849	0.7
385.15121	0.8
491.12170	0.8
553.19519	0.7
595.21008	0.9
697.23621	8.9
727.12555	0.7
742.49097	0.7
759.96106	0.7
785.36145	2.3
817.25732	2.6
925.79779	0.8
967.28546	3.8
985.29889	35.4
985.48511	3.0
986.30646	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	985.5026
Annotation	Moroidin
Peak:m/z	Relative Intensity
71.01383	25.1
72.99299	2.3
73.02949	6.5
75.00875	12.1
75.06001	0.9
78.28964	0.9
83.01373	1.7
84.79069	0.9
85.02962	16.3
87.00883	9.2
89.02433	6.8
95.01397	4.3
99.00869	14.9
101.02433	2.6
103.04002	1.5
113.02435	19.0
115.03992	4.7
125.02484	1.1
131.03502	14.4
143.03517	5.9
159.02911	1.2
199.45332	1.1
205.07208	5.3
693.43182	1.7
704.55682	1.2
707.38208	1.1
820.84387	1.3
822.09979	1.3
985.50262	100.0
986.50861	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	987.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.8
71.01381	55.0
72.99310	2.4
73.02950	9.9
75.00864	8.1
75.67225	1.3
76.85600	1.4
81.03495	1.6
83.01380	9.2
85.02948	21.5
86.00081	1.4
87.00877	41.4
89.02441	66.3
95.01385	7.7
97.02948	8.6
99.00883	8.5
101.02438	54.4
113.02441	34.2
119.03483	12.4
125.02432	33.6
127.04053	2.3
131.03514	2.9
139.04027	5.1
143.03502	12.8
149.04549	1.6
149.53979	1.4
161.04611	11.9
167.03490	5.1
179.05585	19.1
180.05789	1.9
203.05658	6.7
221.06688	12.1
235.08182	13.1
244.54625	1.2
263.07773	8.3
279.23273	20.3
301.89456	1.3
323.10001	1.6
341.10934	7.8
365.10846	15.6
378.81696	1.4
383.11984	26.5
384.95056	1.4
423.66864	1.3
425.13107	3.0
443.13611	1.9
451.41959	1.4
452.83438	1.6
467.14136	9.1
473.12646	1.4
485.15161	7.9
589.72015	1.5
629.78839	1.3
645.34717	6.1
647.20538	100.0
648.20172	2.5
649.21063	2.3
665.21552	26.3
747.40790	1.6
778.92816	1.6
814.25574	1.8
905.49188	11.8
927.45758	25.5
928.45306	1.9
951.48950	3.1
986.50848	5.6
987.50165	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	987.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	2.2
71.01381	51.5
72.99303	3.4
73.02944	11.2
73.03349	0.8
75.00855	0.7
81.03456	2.7
83.01392	4.8
85.02948	17.8
87.00873	31.3
87.04496	1.8
89.02440	55.6
95.01379	5.8
97.02936	6.9
99.00884	4.1
99.04507	1.7
101.02437	59.4
109.02937	2.1
111.00881	0.8
113.02450	41.0
114.02767	0.5
115.03997	0.8
117.73399	0.4
119.03494	13.1
121.02921	0.7
123.00829	0.7
123.04555	0.4
124.01637	0.4
125.02442	18.2
127.04001	1.7
129.01970	0.4
131.03525	3.6
132.07172	0.4
137.02440	0.6
139.04024	2.2
141.01910	3.0
143.02377	0.6
143.03503	15.9
149.04562	2.0
161.04561	13.6
167.03510	2.3
179.05615	27.3
185.04614	0.6
188.24365	0.4
203.05637	11.4
217.56934	0.4
221.06700	18.2
235.08226	4.4
245.06702	0.5
263.07608	4.8
263.24094	0.5
275.23755	0.7
279.23309	45.3
280.23666	1.5
281.08771	1.5
287.07614	0.6
293.24857	6.6
303.23254	0.5
305.08707	0.7
321.24365	1.8
323.09839	5.1
341.11014	5.9
365.10931	9.5
383.11987	36.7
397.13614	2.7
413.13290	0.7
425.13110	4.4
441.28598	1.5
443.14441	2.9
467.14041	5.9
485.15137	10.3
486.15970	0.5
503.16199	1.8
645.35095	8.5
647.20496	100.0
648.20337	4.7
665.21539	36.7
666.21771	1.7
747.37708	0.5
927.44611	19.0
928.44177	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	987.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	2.2
71.01384	70.4
72.99307	5.3
73.02944	12.5
75.00867	1.8
81.03448	2.0
83.01383	5.6
85.02950	19.1
85.03477	0.6
87.00869	30.9
87.04499	0.9
88.01705	0.4
89.02441	100.0
92.12323	0.9
92.86236	0.3
95.01380	5.9
97.02952	6.6
99.00877	3.8
99.04517	1.8
101.02438	78.0
109.02937	3.0
111.00885	1.6
111.04519	0.8
113.02446	44.0
115.04002	1.5
119.03490	19.8
121.02957	0.4
123.00876	0.8
125.02431	20.8
127.03997	1.9
129.01875	0.8
131.03494	6.2
139.03999	0.9
141.01932	2.6
143.03500	18.8
149.04543	3.0
159.02968	0.6
161.03232	0.8
161.04553	18.3
166.02943	0.4
167.03467	1.6
179.05623	44.2
185.04588	0.8
203.05644	7.2
221.06694	30.4
235.08257	3.7
245.06709	0.4
263.07758	3.7
279.23334	19.3
280.23840	0.5
281.08832	1.9
287.07635	0.6
293.24948	2.6
305.08875	1.7
321.24310	0.8
323.09824	4.0
323.13220	0.4
341.10950	10.0
365.10959	7.0
383.12015	60.7
384.12250	0.8
397.13583	7.4
407.11954	0.6
425.13107	3.6
441.28778	0.8
443.14139	4.7
449.13141	0.8
450.65530	0.5
467.14108	6.4
483.29736	0.6
485.15234	10.0
503.16122	0.7
645.35126	6.0
647.20526	90.7
648.20825	2.4
665.21582	54.8
666.21997	1.6
747.38550	0.5
927.44513	18.9
928.44684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.8
71.01381	55.0
72.99310	2.4
73.02950	9.9
75.00864	8.1
75.67225	1.3
76.85600	1.4
81.03495	1.6
83.01380	9.2
85.02948	21.5
86.00081	1.4
87.00877	41.4
89.02441	66.3
95.01385	7.7
97.02948	8.6
99.00883	8.5
101.02438	54.4
113.02441	34.2
119.03483	12.4
125.02432	33.6
127.04053	2.3
131.03514	2.9
139.04027	5.1
143.03502	12.8
149.04549	1.6
149.53979	1.4
161.04611	11.9
167.03490	5.1
179.05585	19.1
180.05789	1.9
203.05658	6.7
221.06688	12.1
235.08182	13.1
244.54625	1.2
263.07773	8.3
279.23273	20.3
301.89456	1.3
323.10001	1.6
341.10934	7.8
365.10846	15.6
378.81696	1.4
383.11984	26.5
384.95056	1.4
423.66864	1.3
425.13107	3.0
443.13611	1.9
451.41959	1.4
452.83438	1.6
467.14136	9.1
473.12646	1.4
485.15161	7.9
589.72015	1.5
629.78839	1.3
645.34717	6.1
647.20538	100.0
648.20172	2.5
649.21063	2.3
665.21552	26.3
747.40790	1.6
778.92816	1.6
814.25574	1.8
905.49188	11.8
927.45758	25.5
928.45306	1.9
951.48950	3.1
986.50848	5.6
987.50165	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	989.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	1.3
71.01384	27.3
72.99287	6.5
73.02950	9.9
75.00880	14.4
81.03464	0.8
83.01389	2.4
85.02952	23.3
86.00101	1.6
87.00896	10.0
87.04539	1.7
89.02443	13.6
95.01373	6.6
99.00887	21.4
101.02440	21.1
103.04007	2.4
113.02458	19.6
115.04008	2.2
119.03493	4.1
119.05008	1.1
131.03511	7.4
139.00385	2.2
143.03506	10.5
143.11838	1.4
157.01421	3.8
159.02928	4.0
161.04604	2.1
163.02557	1.5
163.06113	7.2
191.01932	2.3
205.07144	9.0
269.04599	6.1
270.04941	1.2
284.31598	1.1
286.10440	1.2
360.15948	1.1
403.28558	2.4
501.26627	1.2
517.31787	1.7
721.33282	1.6
798.80011	1.1
801.38721	7.9
869.45313	2.2
870.45917	4.4
871.44995	7.6
872.46423	4.1
887.42841	3.7
902.45093	2.1
915.45618	1.4
934.44385	8.0
989.49762	100.0
990.50702	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	989.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99780	1.7
70.07323	1.3
71.01374	32.0
72.99306	3.5
73.02953	13.5
75.00861	11.2
83.01380	3.1
85.02941	33.3
86.00057	2.3
87.00872	14.4
87.04492	1.8
89.02445	16.8
95.01376	3.5
99.00865	27.7
101.02423	22.3
103.03989	8.2
113.02438	28.9
115.04022	3.6
119.03503	3.1
131.02055	1.8
131.03500	11.4
139.00368	3.2
143.03543	12.8
145.05048	2.6
156.64545	1.7
157.01399	2.1
159.03021	2.1
161.04536	1.7
163.02544	2.7
163.06117	6.8
170.93652	1.6
191.01862	2.5
205.07230	8.1
217.62157	1.6
219.38863	1.6
220.24745	1.6
226.57768	1.8
268.03842	1.7
269.04572	15.7
270.05045	3.0
295.82465	1.8
656.51038	1.9
801.38879	14.7
802.40820	1.8
825.43024	2.2
871.42920	3.4
887.42688	2.6
902.45227	3.3
926.48193	14.7
934.44891	21.8
989.49615	100.0
990.50360	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	989.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99831	2.0
69.03457	0.3
71.01384	27.8
72.01708	0.2
72.99310	1.8
73.02948	4.5
75.00870	8.9
81.03455	0.3
81.09138	0.2
83.01390	3.3
83.05014	0.8
84.02176	0.4
85.02954	30.8
86.00076	0.9
87.00876	6.0
87.04517	0.3
89.02444	18.1
95.01382	7.4
96.96004	1.1
97.02930	0.9
99.00883	12.1
99.04497	0.3
99.11403	0.2
101.02442	20.2
111.00890	0.4
112.01649	1.1
113.02454	23.1
115.00376	0.4
115.03990	0.3
119.03501	6.0
125.02435	1.3
129.01952	0.8
131.03502	8.1
137.02411	0.2
139.00349	2.6
143.03508	2.3
149.04536	0.3
152.01180	0.8
157.01439	1.4
159.03023	1.4
161.04559	11.7
167.03520	0.3
179.05618	3.1
179.10805	0.3
221.06686	12.4
222.06969	0.3
253.04913	0.3
259.05969	0.4
263.07834	0.4
268.03714	0.3
269.04614	0.5
307.10519	0.2
379.30164	0.3
409.31195	1.4
441.33585	0.8
457.33566	0.4
469.33728	0.3
489.35944	1.5
517.23230	0.5
647.38531	0.3
649.30463	0.3
827.44354	0.3
927.49982	0.3
958.45764	0.2
971.48761	1.3
989.49664	100.0
990.50104	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	990.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	2.7
71.02496	4.0
72.00877	1.1
73.02917	0.9
73.04074	7.5
74.02469	6.9
79.51646	0.5
82.01708	2.5
82.02538	0.8
82.02985	11.6
83.02509	4.7
84.00896	4.7
85.02946	3.3
85.04057	3.8
87.05621	3.3
89.02422	0.6
92.10899	0.5
93.03456	6.3
95.02493	1.1
97.00385	0.7
97.04043	1.0
99.01996	37.2
99.04521	0.5
99.05598	0.8
100.00391	1.0
101.02460	0.9
106.01754	0.5
107.04947	0.6
108.00920	0.9
110.01247	1.0
111.01991	4.7
112.05166	1.1
112.93330	0.6
113.02456	0.8
113.03556	8.0
113.07207	0.9
115.05132	1.3
115.08752	9.9
116.05062	15.0
117.03442	0.8
119.04157	1.4
119.05017	43.1
121.02924	5.2
123.04490	0.7
124.04034	0.9
125.03561	7.2
125.07191	5.3
127.08792	1.2
128.04623	2.4
130.04218	5.8
130.05136	0.6
130.06166	4.8
131.03737	12.1
131.04675	6.7
132.04529	6.9
132.05626	1.5
133.05344	7.1
134.03729	3.4
134.06099	10.6
135.05675	1.3
137.03560	1.1
137.07208	15.2
137.87993	0.5
139.05145	6.6
139.08794	1.0
140.04655	0.7
141.06708	18.5
142.06659	6.9
143.08299	0.8
144.04553	4.4
144.07791	3.0
144.32468	0.6
145.02940	2.9
146.02495	1.9
146.03639	0.8
146.06139	3.2
150.05502	0.7
151.01472	0.7
151.05115	2.9
151.08780	0.6
152.08293	1.2
153.06702	14.4
154.09848	3.2
155.08307	5.6
156.04256	2.0
156.05795	0.6
156.06837	5.1
157.02573	1.0
157.05321	2.7
157.07710	0.9
158.06107	13.1
159.09319	3.0
160.04031	4.2
161.04742	0.7
162.05603	7.2
165.06694	1.2
166.09860	0.7
167.08260	0.6
170.05768	1.3
170.09348	13.0
170.10677	0.8
172.10895	7.1
174.05566	5.2
176.07182	0.7
177.03064	2.6
177.06712	8.7
179.04622	12.3
179.08258	4.4
180.07838	1.0
182.05765	0.9
182.09366	2.4
184.10896	2.3
186.05589	1.3
191.08266	2.1
192.07750	0.7
198.05679	0.7
198.08838	8.5
200.07013	0.6
200.10568	1.1
201.04347	13.2
201.06168	1.0
202.05054	7.1
203.08282	15.0
204.07973	0.6
205.06215	23.1
208.07382	0.7
209.10423	0.6
210.08801	0.8
211.11967	2.4
214.09889	1.3
215.11862	1.0
216.11412	4.3
217.06172	6.5
219.07765	5.1
227.11537	2.2
228.06635	0.9
229.12924	0.9
231.11328	0.8
233.09171	0.9
234.08867	3.5
236.10361	1.0
239.08170	0.9
241.09892	4.0
242.09306	1.1
243.09103	0.9
244.09746	4.4
245.09328	2.9
253.09676	0.8
255.11125	2.4
259.10892	2.4
260.10376	11.3
268.03802	2.3
270.12671	0.7
271.11081	0.6
272.14145	0.7
273.13513	2.7
276.13666	0.7
283.06168	4.2
285.08969	0.6
286.08386	1.1
288.13568	0.8
299.11578	4.7
304.12991	1.0
311.11298	1.0
312.13287	0.9
333.15665	5.6
359.13162	0.6
372.20538	2.6
379.17944	1.3
382.18768	0.9
385.15106	0.9
388.16953	0.9
394.19312	0.7
398.18094	0.8
415.19641	1.0
448.19006	0.7
588.20984	1.2
707.37268	0.6
742.28583	4.6
868.85925	0.6
902.38794	1.2
946.37555	68.0
947.37665	3.7
990.40063	100.0
991.39813	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	991.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99828	1.4
69.03456	0.6
71.01389	17.0
72.99310	5.5
73.02946	2.7
74.69460	0.4
75.00883	14.5
81.03459	0.7
83.01405	1.6
83.05033	0.9
84.02190	0.4
85.02964	20.9
87.00887	6.3
89.02454	7.4
91.04044	0.5
92.65991	0.3
93.03455	1.5
95.01376	6.5
99.00886	12.9
99.04521	4.4
101.02448	4.8
103.00368	2.5
109.24245	0.3
111.00883	2.0
112.01689	0.4
113.02451	31.8
115.00370	1.8
115.17940	0.4
117.01952	2.4
119.03454	0.5
119.05077	0.4
119.08669	1.8
121.02956	1.5
123.04507	0.8
124.05415	0.4
125.02429	0.7
127.04055	0.5
129.01944	2.5
131.03500	1.5
133.10251	0.5
135.08092	0.5
135.11758	2.6
137.09726	8.2
139.00400	0.6
147.05418	0.4
149.04556	0.9
151.00356	1.3
152.01114	0.4
152.08440	0.8
153.09225	1.7
157.01396	1.7
161.04559	0.9
161.09732	4.6
163.07680	1.5
167.03474	0.8
175.02522	2.3
179.10780	12.6
181.08696	9.2
189.04034	0.4
189.05655	0.4
191.05733	0.6
193.03516	0.5
197.11856	10.2
205.07091	2.6
205.12340	3.4
207.05128	0.6
223.09967	2.7
231.05009	2.6
241.10820	2.9
249.06166	18.3
249.08730	0.6
253.05014	0.6
267.07242	15.4
269.04623	2.6
271.05905	0.9
291.07037	0.7
297.13657	0.5
301.11777	0.5
309.08188	6.8
315.14307	0.4
317.11703	0.4
319.13025	0.9
324.10214	0.7
339.12250	1.7
385.18967	0.4
429.17764	0.6
473.16586	1.3
475.12518	0.5
491.17792	2.0
517.22852	0.5
570.96417	0.4
631.24261	0.8
663.26794	2.8
696.08118	0.4
720.25714	0.4
741.33722	0.6
785.35889	2.3
942.73163	0.4
947.42212	1.4
973.38910	0.8
991.40369	100.0
992.40497	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	991.404
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99831	0.8
69.03457	0.9
70.47710	0.5
71.00999	0.7
71.01382	17.1
72.99292	3.2
73.02940	2.8
75.00867	13.1
83.01394	1.3
83.05029	1.3
85.02948	20.3
87.00877	6.1
89.02438	6.7
91.04016	0.7
95.01394	5.1
99.00891	13.5
99.04514	4.4
101.02445	5.1
103.00359	2.4
106.20407	0.6
111.00861	1.4
112.01617	0.6
113.02450	27.5
115.00394	1.3
117.01935	2.8
119.08679	2.6
121.02950	0.6
122.06110	1.0
129.01944	2.8
131.03467	1.2
135.08192	0.9
135.11835	1.1
136.07692	1.0
137.02451	0.7
137.09705	7.7
139.89928	0.6
150.05626	1.0
151.00385	1.0
152.08383	0.7
153.09326	0.8
153.12975	0.7
157.01421	0.7
161.04568	2.5
161.09770	5.2
163.07712	1.2
167.03479	1.0
175.02429	1.2
179.10808	12.9
181.08675	9.8
191.05600	0.7
197.04520	0.7
197.11823	8.8
205.07185	2.2
205.12381	2.4
223.09850	3.5
225.25098	0.6
229.09853	2.8
230.11903	2.3
231.05228	1.3
241.10857	2.7
249.06168	17.1
257.09238	0.9
267.07263	11.7
269.04739	3.2
271.06033	0.7
273.12457	5.2
279.25012	0.7
309.08130	5.3
317.11502	1.3
318.12042	0.5
319.13022	1.1
324.10138	2.5
335.12622	9.6
336.12921	0.6
339.12433	3.7
411.16678	0.6
491.17856	1.2
519.24695	1.1
561.26257	0.8
631.24249	1.3
663.26819	4.4
785.36182	5.7
947.42072	5.5
973.39117	1.2
991.40417	100.0
992.41467	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	991.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99814	1.6
69.03477	0.2
71.01382	21.6
72.99313	1.7
73.02953	3.2
75.00452	0.3
75.00869	6.7
83.01386	3.5
84.02168	0.2
85.02948	24.7
86.00085	0.8
87.00870	5.3
89.02441	13.0
95.01389	7.3
97.02955	0.7
99.00874	10.2
101.02436	16.8
103.52628	0.2
111.00873	1.0
112.01655	0.9
113.02442	18.1
115.00350	0.3
119.03488	5.2
125.02452	0.6
129.01970	0.4
131.03491	6.6
139.00372	3.8
143.03493	2.4
149.04485	0.5
157.01413	1.0
159.02992	1.1
161.04561	9.1
179.05615	2.8
221.06697	11.1
263.07739	0.4
391.29947	1.5
407.33182	2.9
435.32700	0.3
455.35425	1.0
477.34149	0.2
576.74872	0.2
613.37537	0.7
771.91864	0.2
793.43536	0.2
921.52625	0.4
922.52460	0.7
923.53522	0.3
937.48090	1.0
953.47058	0.3
955.49158	100.0
956.49280	7.5
957.47894	0.6
1025.52063	0.7
1026.53564	0.3
1027.52332	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5795
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69041	0.2
71.01373	0.4
78.95900	24.2
79.59872	0.2
82.52835	0.2
91.10455	0.3
92.11594	0.5
93.65257	0.3
116.92818	0.3
122.00105	0.6
134.98488	0.3
140.01193	8.3
152.99593	2.1
166.02769	0.3
196.03816	12.4
205.19788	0.3
214.04825	2.6
216.10945	0.3
233.22859	0.4
259.20654	0.4
275.20084	0.3
277.21738	100.0
278.22119	3.9
337.83203	0.3
349.96567	0.3
426.11859	0.3
474.26306	77.8
475.26822	3.3
487.57114	0.3
502.29346	0.4
654.85107	0.3
663.63544	0.3
744.35034	0.3
897.56238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99799	0.8
69.03454	0.4
71.01382	7.5
72.99308	1.9
73.02936	0.9
75.00458	0.2
75.00875	6.6
81.03436	0.3
83.01363	0.8
83.05015	0.3
85.02953	10.8
87.00880	3.7
89.02447	2.5
91.04005	0.3
93.03432	0.3
95.01388	2.3
99.00880	5.7
99.04518	1.9
101.02418	0.4
103.00360	1.2
109.02955	0.2
111.00865	1.1
111.04522	0.3
113.02447	12.6
115.00333	1.4
117.01948	1.6
119.05035	0.2
119.08645	1.0
120.31145	0.1
121.06557	0.2
123.04503	0.2
129.01918	1.6
131.03490	0.3
135.08124	0.7
135.11801	1.2
137.09712	6.2
141.05562	0.2
153.09222	1.2
157.01413	0.7
161.09715	1.0
163.07605	1.5
167.03445	0.2
175.02461	1.6
179.10776	5.1
181.08701	4.6
189.04082	0.2
193.05009	0.2
197.11823	4.1
205.07135	0.3
207.05074	0.3
223.09834	1.5
231.05086	1.5
241.10873	1.6
241.12939	0.2
249.06161	15.5
250.06314	0.2
253.05057	3.1
261.05435	0.2
267.07230	9.9
268.07602	0.2
315.14523	2.2
333.06387	0.2
429.17557	1.3
431.15491	1.8
437.97153	0.2
447.19061	0.2
473.16586	1.1
491.17749	100.0
492.18039	4.5
858.61200	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99798	0.8
69.03445	0.8
70.21074	0.3
71.01379	16.2
72.99301	4.1
73.02936	2.2
75.00867	12.2
81.03461	2.7
83.01373	3.1
84.02161	0.4
85.02945	25.5
87.00861	7.3
89.02431	7.1
91.03945	0.4
93.03438	5.2
95.01367	4.3
97.02943	0.4
97.15048	0.3
99.00871	12.3
99.04499	5.6
101.02422	2.4
103.00350	1.8
108.02161	0.7
111.00877	5.3
112.01657	0.4
113.02445	27.8
115.00346	2.4
115.01044	0.4
117.01923	2.1
117.65682	0.3
119.04992	1.4
119.08646	2.3
121.02930	5.4
121.06569	0.4
123.04510	2.6
125.02431	0.4
127.03970	3.1
129.01933	5.2
131.03448	1.5
135.08127	0.8
135.11739	0.6
137.02426	6.7
137.09715	6.1
149.04546	1.3
151.00397	1.7
152.01122	1.8
157.01430	1.3
161.09705	4.2
163.07629	0.5
163.11302	0.6
167.03528	5.0
171.02986	1.9
171.61099	0.4
175.02449	2.3
179.10767	7.8
181.08713	7.4
187.06184	0.4
189.04037	0.4
189.12836	0.8
197.04555	0.6
197.11864	7.4
205.05309	0.4
205.07196	2.2
207.05122	0.5
207.13937	1.7
208.05646	0.4
215.02060	0.4
223.09732	1.9
231.05103	2.2
241.10793	2.2
249.03719	0.8
249.06155	19.0
267.07214	14.5
269.04517	6.3
270.04889	1.4
270.17404	0.4
271.06030	2.6
273.64716	0.4
281.18134	0.4
291.07181	0.5
309.08344	4.5
429.17563	0.5
473.16837	0.9
475.12808	0.6
491.17819	1.4
519.24445	0.5
787.40088	0.4
975.40863	0.8
993.41882	100.0
994.42200	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	993.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	0.8
71.01385	16.6
72.99304	2.0
73.02949	6.1
75.00880	7.7
78.73100	0.4
83.01392	2.6
85.02462	0.9
85.02950	18.7
86.00070	0.7
87.00886	6.3
87.04498	2.1
89.02438	8.3
90.50530	0.5
93.80134	0.5
94.02962	0.5
95.01380	3.9
97.02946	0.5
99.00867	10.5
101.02431	11.0
101.55082	0.5
103.03996	3.1
109.02937	0.6
112.01673	0.9
113.02445	13.6
115.04013	2.7
119.03497	2.0
120.08168	0.5
125.02416	0.6
129.01964	0.4
131.03496	4.5
139.00398	2.1
143.03499	6.9
145.05087	0.8
157.01447	2.0
158.60846	0.4
161.04555	1.0
163.06128	2.4
205.07190	5.0
292.12183	0.7
300.06729	0.5
360.47882	0.5
411.98999	0.5
425.34277	0.6
473.36899	1.6
649.28857	2.4
897.48883	1.7
909.12805	0.5
913.47217	1.0
957.50757	100.0
958.51184	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	993.5959
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	100.0
80.08349	0.1
96.96956	9.5
122.20384	0.1
122.98553	0.1
140.01199	0.5
150.98048	0.5
152.99588	25.4
171.00639	29.1
175.00951	0.1
214.04880	0.4
264.72037	0.1
297.90042	0.1
384.23212	0.2
386.77902	0.1
402.24130	4.1
402.29074	0.2
476.27878	78.1
477.28256	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	995.211
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	2.7
72.99302	1.5
73.02953	0.9
75.00880	0.8
83.01385	5.2
83.01833	0.3
84.02159	1.6
85.02949	100.0
86.03270	0.6
87.00876	1.2
89.00330	0.3
89.16282	0.2
91.01836	0.2
95.38918	0.2
99.00890	0.3
101.02431	1.2
103.00359	0.3
106.00599	0.4
111.00876	11.6
121.02947	38.7
122.03239	0.3
123.00889	1.6
127.00320	0.3
129.01936	48.4
130.02243	0.2
131.05043	0.3
133.02995	0.3
133.06593	2.3
135.04523	1.2
136.98761	0.2
137.02448	0.3
137.09674	0.2
138.03220	2.1
139.00363	1.7
139.04033	0.7
145.01442	0.3
145.54449	0.2
147.03004	6.4
150.51208	0.2
153.05574	8.4
154.02800	0.2
154.99869	0.4
159.04552	0.3
161.06075	2.7
166.99902	1.1
173.00916	12.1
179.03522	0.2
181.01555	0.2
182.02217	4.1
185.98138	0.2
189.05589	3.7
191.01915	2.1
191.03329	0.2
196.03802	0.3
197.04567	18.9
198.04918	0.2
207.03081	0.2
211.06296	0.6
222.05376	1.4
232.03709	0.2
233.04503	0.4
237.07736	1.3
244.77243	0.2
250.04779	0.4
251.05612	6.3
253.05017	1.8
265.04648	0.3
265.07211	4.8
277.03958	0.2
286.95853	0.2
295.04599	10.4
298.91125	0.2
309.06186	0.8
313.05728	3.7
327.07242	9.3
353.05182	0.4
371.06241	8.3
491.21274	0.3
492.21799	0.4
493.09982	9.1
493.19397	0.7
494.10248	0.3
540.06024	0.2
556.14575	0.2
565.91736	0.2
857.51190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	0.5
71.01391	4.8
72.99294	0.9
73.02958	0.9
75.00851	0.4
81.03465	4.9
83.01383	10.7
84.02158	2.9
85.02948	100.0
87.00876	0.8
87.22414	0.5
91.01898	1.0
93.03447	18.8
95.01393	2.2
99.00879	0.9
99.04519	9.6
99.52567	0.6
101.02430	0.5
106.00566	0.6
106.04237	1.8
108.02159	4.9
109.02967	2.3
111.00875	25.3
113.02471	1.1
117.03493	1.0
119.05018	45.7
120.05401	1.0
121.02947	51.1
122.03800	0.8
123.00870	3.0
123.04512	12.1
125.02450	2.1
127.00405	0.5
127.04010	19.1
129.01936	29.8
129.07126	0.5
131.04991	1.6
133.02950	2.2
133.06610	4.0
134.03726	7.8
135.04518	2.4
136.05263	0.4
136.98845	0.6
137.02472	3.4
137.09685	0.6
138.03188	3.9
139.00362	4.9
139.04056	0.6
143.05028	2.1
147.03041	8.1
147.04491	6.7
149.06041	4.3
151.04082	0.8
152.01149	8.7
153.01970	1.0
153.05565	13.0
153.06683	0.6
154.99918	0.6
159.04477	1.9
160.01636	2.1
160.05251	0.5
161.02437	2.0
161.06081	13.5
162.03230	1.1
163.04041	2.6
163.07626	5.4
166.99872	1.1
167.03493	15.3
171.02988	8.7
171.04398	1.0
173.00929	7.1
173.06091	4.9
175.03996	18.5
175.07640	0.7
176.04622	0.4
177.05559	1.9
178.02739	0.8
179.03500	0.9
181.01283	0.5
181.05193	0.5
182.02222	7.4
185.09821	0.5
187.04010	2.4
188.04768	3.8
189.03955	0.8
189.05563	17.8
189.07153	0.7
190.02773	0.8
190.05779	0.7
191.02036	3.9
191.03563	0.9
191.07132	2.6
192.04326	0.6
193.05063	6.2
196.03812	2.3
197.04565	33.7
198.04915	0.8
201.05600	7.2
203.03601	0.5
204.04309	0.5
205.05153	1.8
207.03145	0.9
207.06541	0.7
207.08253	0.6
209.03040	0.5
211.07744	0.6
215.01981	4.5
219.06659	0.7
222.05417	2.6
223.11310	3.1
224.08455	0.5
231.06332	0.4
233.04509	0.6
235.05974	1.5
237.07594	3.4
238.06358	1.8
249.06287	0.8
251.05437	1.5
251.56468	0.5
252.07976	3.4
253.05074	13.6
253.08690	4.6
254.05641	1.7
261.07663	1.0
264.07916	0.5
264.71042	0.5
265.06924	10.4
267.10272	16.3
279.10333	2.6
280.07602	0.6
293.06769	2.1
295.09775	59.5
296.10123	1.9
297.06213	2.2
307.09796	13.4
309.01224	0.4
309.06192	3.2
309.11337	0.8
320.09619	0.6
323.07935	0.7
325.10843	19.2
326.11194	0.5
337.05545	1.1
337.10913	0.7
339.08765	60.9
340.09189	1.9
341.05151	9.9
351.08893	1.1
355.07040	0.5
359.06320	2.4
367.06723	3.2
369.09821	21.0
381.09854	0.9
385.08020	0.6
411.10812	0.7
413.07416	2.2
429.10492	0.8
431.10242	1.0
441.11935	2.0
459.13055	26.7
460.13538	1.1
475.08829	0.9
491.17627	3.6
492.18115	4.2
493.18704	2.1
535.10797	7.8
535.50720	0.5
833.27960	0.6
995.32861	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	995.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	2.9
69.04574	0.3
71.01381	23.0
72.99303	0.6
73.02943	13.7
75.00871	0.3
81.03447	1.5
81.51044	0.3
83.01381	6.6
85.02944	11.3
85.67509	0.2
87.00867	1.8
89.02441	8.3
92.11742	0.2
95.01353	2.0
96.96002	6.1
97.02946	17.2
98.95561	1.1
99.00872	38.4
99.04507	6.2
101.02435	40.6
103.02773	0.3
107.05084	0.3
109.02957	0.3
111.00874	0.6
111.04497	0.3
113.02443	18.4
113.54777	0.3
115.03959	0.3
119.03471	0.4
123.04495	0.5
124.01653	1.6
125.02432	100.0
126.02785	0.5
127.04028	1.4
129.01936	1.1
131.03474	4.0
136.01663	0.4
139.03934	0.3
143.03491	4.3
151.03983	1.1
153.05486	0.3
159.03015	1.9
160.49602	0.3
161.04555	21.9
163.06073	0.3
164.44130	0.3
167.03481	0.4
179.03525	1.9
191.05594	5.1
197.04550	0.3
203.05629	5.4
205.03682	0.5
225.11266	2.3
226.11615	0.4
239.08885	0.3
275.07837	0.4
287.07578	0.7
293.08774	4.1
305.06995	4.6
306.07388	1.7
307.06735	2.1
327.61215	0.3
329.08826	0.4
401.10852	0.6
419.11993	80.7
420.12527	2.7
461.13074	31.2
501.16266	8.3
506.87332	0.3
555.82990	0.3
563.16211	97.8
564.16760	4.2
733.92749	0.3
784.75061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6115
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.1
78.95908	18.6
79.50988	0.1
79.88705	0.1
96.96955	0.1
99.17603	0.1
104.97517	0.1
112.69472	0.1
122.00137	1.1
122.90152	0.1
122.98530	0.2
134.98515	0.2
140.01192	7.3
152.99568	2.2
154.07437	0.1
156.13503	0.1
166.02771	0.3
196.03815	10.6
214.04915	2.3
261.22229	0.5
279.23306	100.0
280.23624	2.9
390.96545	0.1
476.27859	61.8
477.28201	2.3
536.89264	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	995.6116
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	4.2
99.48504	0.1
137.20370	0.1
140.01181	2.3
146.13374	0.1
152.99542	0.3
172.37866	0.1
180.64958	0.1
196.03758	1.2
209.55875	0.2
210.78717	0.2
214.04907	2.9
237.52531	0.1
261.22293	0.7
279.23309	100.0
280.23615	3.1
350.78745	0.2
410.34586	0.1
476.27884	39.4
477.28143	1.4
579.06622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	14.8
73.02949	7.3
76.57095	0.7
79.05486	1.0
83.01391	3.4
85.02940	7.7
89.02444	4.4
93.03461	1.0
95.01374	2.9
97.02935	7.5
99.00867	22.5
99.04497	3.4
101.02433	25.1
107.05025	1.3
109.02974	5.6
113.02451	9.4
121.02962	3.3
122.03696	1.4
123.04517	24.0
125.02427	30.4
128.55653	0.6
131.03506	0.9
133.02946	2.8
135.04530	5.0
137.02467	3.7
143.03491	1.3
148.01636	0.9
149.02435	4.7
150.03215	5.9
151.04021	11.2
159.03017	1.2
161.04555	16.7
163.04024	11.7
167.03497	4.4
177.02071	0.7
178.02737	0.8
179.03500	1.5
181.05045	2.4
182.02240	1.6
191.05659	3.9
203.05609	1.2
205.01456	1.5
206.02274	0.7
207.02942	1.1
241.08701	2.9
243.06628	4.2
257.08194	5.5
269.08170	3.8
285.07697	26.3
285.64371	0.6
293.08792	1.5
297.07761	4.7
313.07190	29.1
315.08731	10.1
343.08301	11.1
389.17905	1.0
401.11102	3.4
419.12006	100.0
420.12338	2.7
433.11453	29.1
434.11935	1.2
461.13058	6.3
563.16278	25.4
733.56537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.6427
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	17.6
89.49779	0.3
122.00107	0.3
140.01180	6.2
152.99570	1.4
188.30746	0.3
196.03813	8.7
214.04880	1.9
220.59772	0.3
277.99878	0.3
281.24866	100.0
282.25238	3.7
330.76498	0.3
378.12299	0.3
455.45554	0.3
478.29425	58.0
479.29782	2.4
515.05560	0.3
574.78143	0.3
888.45917	0.3
END